*HEADER    PROTEIN BINDING                         31-AUG-06   2J4M
*TITLE     DOUBLE DOCKERIN FROM PIROMYCES EQUI CEL45A
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ENDOGLUCANASE 45A;
*COMPND   3 SYNONYM: CEL45A ENDOGLUCANASE;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: FIRST TWO DOCKERIN DOMAINS, RESIDUES 21-118;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21;
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: PGEX-4T-2;
*SOURCE   5 ORGANISM_SCIENTIFIC: PIROMYCES EQUI
*KEYWDS    DOCKERIN, CELLULOSOME, PROTEIN BINDING,
*KEYWDS   2 SMALL CYSTEINE-RICH
*EXPDTA    NMR, 6 STRUCTURES
*AUTHOR    T.NAGY,R.B.TUNNICLIFFE,L.D.HIGGINS,C.WALTERS,H.J.GILBERT,
*AUTHOR   2 M.P.WILLIAMSON




!NOE restraints
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assign ( resid   2 and name   ha ) ( resid   2 and name  he+ )   5.0   3.2   0.0
assign ( resid   2 and name   ha ) ( resid   2 and name  hg+ )   5.0   3.2   0.0
assign ( resid   2 and name   ha ) ( resid   3 and name  hb+ )   5.0   3.2   0.0
assign ( resid   2 and name   ha ) ( resid   3 and name   hn )   3.5   1.7   0.0
assign ( resid   2 and name  hb+ ) ( resid   3 and name   hn )   5.0   3.2   0.0
assign ( resid   2 and name  he+ ) ( resid   3 and name   hn )   5.0   3.2   0.0
assign ( resid   2 and name  hg+ ) ( resid   3 and name  hb+ )   5.0   3.2   0.0
assign ( resid   2 and name  hg+ ) ( resid   3 and name   hn )   5.0   3.2   0.0
assign ( resid   2 and name   ha ) ( resid   4 and name   hn )   5.0   3.2   0.0
assign ( resid   2 and name  hb+ ) ( resid   7 and name he2+ )   5.0   3.2   0.0
assign ( resid   2 and name  hb+ ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid   2 and name  hb+ ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid   2 and name  he+ ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid   2 and name  hg+ ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid   2 and name   hn ) ( resid  47 and name   ha )   5.0   3.2   0.0
assign ( resid   2 and name   hn ) ( resid  47 and name  hg+ )   5.0   3.2   0.0
assign ( resid   3 and name   ha ) ( resid   3 and name  hb+ )   3.5   1.7   0.0
assign ( resid   3 and name   ha ) ( resid   3 and name   hn )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid   3 and name   hn )   3.5   1.7   0.0
assign ( resid   3 and name   ha ) ( resid   4 and name   ha )   5.0   3.2   0.0
assign ( resid   3 and name   ha ) ( resid   4 and name   hn )   3.5   1.7   0.0
assign ( resid   3 and name  hb+ ) ( resid   4 and name   ha )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid   4 and name   hn )   5.0   3.2   0.0
assign ( resid   3 and name   hn ) ( resid   4 and name   hn )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid   7 and name he2+ )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid   7 and name  hg+ )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid   3 and name   hn ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   4 and name  hb+ )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   4 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name  hb+ ) ( resid   4 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   5 and name  hd1 )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name   hn ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   6 and name  hb+ )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name  hb+ ) ( resid   7 and name  hb+ )   5.0   3.2   0.0
assign ( resid   4 and name  hb+ ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name   hn ) ( resid   7 and name  hg+ )   5.0   3.2   0.0
assign ( resid   4 and name   hn ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name   hn ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid   4 and name  hb+ ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid   4 and name  hb+ ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name  hb+ )   3.5   1.7   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name  hd1 )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name  he3 )   5.0   3.2   0.0
assign ( resid   5 and name  hb+ ) ( resid   5 and name  hd1 )   5.0   3.2   0.0
assign ( resid   5 and name  hb+ ) ( resid   5 and name  he3 )   5.0   3.2   0.0
assign ( resid   5 and name  hb+ ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hd1 ) ( resid   5 and name  he1 )   3.5   1.7   0.0
assign ( resid   5 and name  hd1 ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hd1 ) ( resid   5 and name  he3 )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid   5 and name  hh2 )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid   5 and name  hz2 )   5.0   3.2   0.0
assign ( resid   5 and name  he3 ) ( resid   5 and name  hz3 )   5.0   3.2   0.0
assign ( resid   5 and name  hh2 ) ( resid   5 and name  hz2 )   3.5   1.7   0.0
assign ( resid   5 and name  hh2 ) ( resid   5 and name  hz3 )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   6 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hb+ ) ( resid   6 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  he3 ) ( resid   6 and name   ha )   3.5   1.7   0.0
assign ( resid   5 and name  he3 ) ( resid   6 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  hh2 ) ( resid   6 and name   ha )   5.0   3.2   0.0
assign ( resid   5 and name  hh2 ) ( resid   6 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid   6 and name   ha )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid   6 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  he3 ) ( resid   9 and name he2+ )   5.0   3.2   0.0
assign ( resid   5 and name  he3 ) ( resid   9 and name  hg+ )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid   9 and name he2+ )   5.0   3.2   0.0
assign ( resid   5 and name  he3 ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid  28 and name   ha )   5.0   3.2   0.0
assign ( resid   5 and name  hh2 ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid   5 and name  hz2 ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hz2 ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hh2 ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid  31 and name  hz2 )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid   5 and name  hz3 ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid   5 and name  hh2 ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid   5 and name  hz2 ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hh2 ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hz2 ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hz2 ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid   5 and name  hd1 ) ( resid  42 and name   ha )   5.0   3.2   0.0
assign ( resid   5 and name  hd1 ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid  42 and name   ha )   3.5   1.7   0.0
assign ( resid   5 and name  he1 ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  he1 ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name   hn ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name  hb+ )   3.5   1.7   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid   7 and name  hg+ )   5.0   3.2   0.0
assign ( resid   6 and name   hn ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid   9 and name  hb+ )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid   9 and name  hg+ )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid   9 and name he2+ )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid   9 and name  hg+ )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  11 and name  hb+ )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  11 and name  hd+ )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  11 and name  he+ )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  14 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  31 and name  hz3 )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  39 and name   ha )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name   ha ) ( resid   7 and name  hb+ )   3.5   1.7   0.0
assign ( resid   7 and name   ha ) ( resid   7 and name  hg+ )   3.5   1.7   0.0
assign ( resid   7 and name   ha ) ( resid   7 and name   hn )   3.5   1.7   0.0
assign ( resid   7 and name   ha ) ( resid   7 and name he2+ )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid   7 and name   hn )   3.5   1.7   0.0
assign ( resid   7 and name  hb+ ) ( resid   7 and name he2+ )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid   7 and name  hg+ )   3.5   1.7   0.0
assign ( resid   7 and name he2+ ) ( resid   7 and name  hg+ )   5.0   3.2   0.0
assign ( resid   7 and name  hg+ ) ( resid   7 and name   hn )   3.5   1.7   0.0
assign ( resid   7 and name   ha ) ( resid   8 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid   8 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid   8 and name   ha )   5.0   3.2   0.0
assign ( resid   7 and name  hg+ ) ( resid   8 and name   ha )   5.0   3.2   0.0
assign ( resid   7 and name  hg+ ) ( resid   8 and name  hb+ )   5.0   3.2   0.0
assign ( resid   7 and name  hg+ ) ( resid   8 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name   hn ) ( resid   8 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name   ha ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name   hn ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name   ha ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name  hg+ ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name   ha ) ( resid  11 and name   hn )   3.5   1.7   0.0
assign ( resid   7 and name  hb+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name  hg+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name   ha ) ( resid   8 and name  hb+ )   3.5   1.7   0.0
assign ( resid   8 and name   ha ) ( resid   8 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name  hb+ ) ( resid   8 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name   ha ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name  hb+ ) ( resid   9 and name he2+ )   5.0   3.2   0.0
assign ( resid   8 and name  hb+ ) ( resid   9 and name  hg+ )   5.0   3.2   0.0
assign ( resid   8 and name  hb+ ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name   hn ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name   ha ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name   hn ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid   9 and name  hb+ )   3.5   1.7   0.0
assign ( resid   9 and name   ha ) ( resid   9 and name  hg+ )   3.5   1.7   0.0
assign ( resid   9 and name  hb+ ) ( resid   9 and name  hg+ )   3.5   1.7   0.0
assign ( resid   9 and name  hb+ ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid   9 and name he2+ )   5.0   3.2   0.0
assign ( resid   9 and name he2+ ) ( resid   9 and name  hg+ )   5.0   3.2   0.0
assign ( resid   9 and name he2+ ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hg+ ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hg+ ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name   hn ) ( resid  10 and name  ha+ )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid  11 and name  hd+ )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid  11 and name  he+ )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name he2+ ) ( resid  11 and name  he+ )   5.0   3.2   0.0
assign ( resid   9 and name  hg+ ) ( resid  11 and name  hd+ )   5.0   3.2   0.0
assign ( resid   9 and name   hn ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name he2+ ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid   9 and name he2+ ) ( resid  31 and name  hz2 )   5.0   3.2   0.0
assign ( resid   9 and name  hg+ ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid   9 and name  hg+ ) ( resid  31 and name  hz2 )   5.0   3.2   0.0
assign ( resid  10 and name  ha+ ) ( resid  10 and name   hn )   3.5   1.7   0.0
assign ( resid  10 and name  ha+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  10 and name   hn ) ( resid  11 and name  hd+ )   5.0   3.2   0.0
assign ( resid  10 and name   hn ) ( resid  11 and name   hn )   3.5   1.7   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name  hb+ )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name  hd+ )   3.5   1.7   0.0
assign ( resid  11 and name  hb+ ) ( resid  11 and name  hd+ )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  11 and name  he+ )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  12 and name   hn )   3.5   1.7   0.0
assign ( resid  11 and name  hb+ ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name   hn ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  31 and name  hz3 )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  31 and name  hz3 )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  31 and name  he3 )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid  11 and name   hn ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid  11 and name   hn ) ( resid  31 and name  hz3 )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  38 and name  hd1 )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid  38 and name  hd1 )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  39 and name   ha )   5.0   3.2   0.0
assign ( resid  12 and name   ha ) ( resid  12 and name  hb+ )   3.5   1.7   0.0
assign ( resid  12 and name   ha ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name  hb+ ) ( resid  12 and name hd2+ )   5.0   3.2   0.0
assign ( resid  12 and name  hb+ ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name hd2+ ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name   ha ) ( resid  13 and name   hn )   3.5   1.7   0.0
assign ( resid  12 and name  hb+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name hd2+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name   hn ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name hd2+ ) ( resid  37 and name  hg+ )   5.0   3.2   0.0
assign ( resid  12 and name  hb+ ) ( resid  39 and name   ha )   5.0   3.2   0.0
assign ( resid  12 and name   hn ) ( resid  39 and name   ha )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name  hb+ )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  14 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  14 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  39 and name   ha )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid  13 and name   hn ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid  13 and name   hn ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  14 and name  hb+ )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  14 and name   hn )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  14 and name   hn )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  15 and name  hb+ )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  15 and name   hn )   3.5   1.7   0.0
assign ( resid  14 and name  hb+ ) ( resid  15 and name   hn )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  15 and name  hb+ )   5.0   3.2   0.0
assign ( resid  14 and name   hn ) ( resid  15 and name   hn )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  17 and name   ha )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  20 and name hg2+ )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  34 and name  hg+ )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  14 and name   hn ) ( resid  39 and name   ha )   5.0   3.2   0.0
assign ( resid  14 and name   hn ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  41 and name   ha )   5.0   3.2   0.0
assign ( resid  14 and name   hn ) ( resid  41 and name   ha )   5.0   3.2   0.0
assign ( resid  14 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  14 and name   hn ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name  hb+ )   3.5   1.7   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  15 and name hd2+ )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  15 and name   hn )   3.5   1.7   0.0
assign ( resid  15 and name hd2+ ) ( resid  15 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  16 and name   hn )   3.5   1.7   0.0
assign ( resid  15 and name  hb+ ) ( resid  16 and name hd2+ )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name hd2+ ) ( resid  16 and name   ha )   5.0   3.2   0.0
assign ( resid  15 and name hd2+ ) ( resid  16 and name  hb+ )   5.0   3.2   0.0
assign ( resid  15 and name   hn ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name   hn ) ( resid  16 and name hd2+ )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  34 and name  hb+ )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  34 and name  hg+ )   5.0   3.2   0.0
assign ( resid  15 and name hd2+ ) ( resid  34 and name  hb+ )   5.0   3.2   0.0
assign ( resid  15 and name hd2+ ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  15 and name hd2+ ) ( resid  34 and name  hg+ )   5.0   3.2   0.0
assign ( resid  15 and name   hn ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  15 and name   hn ) ( resid  34 and name  hg+ )   5.0   3.2   0.0
assign ( resid  15 and name   hn ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name  hb+ )   3.5   1.7   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name   hn )   3.5   1.7   0.0
assign ( resid  16 and name  hb+ ) ( resid  16 and name hd2+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name hd2+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  17 and name  hd+ )   3.5   1.7   0.0
assign ( resid  16 and name   ha ) ( resid  17 and name  hg+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  17 and name  hd+ )   5.0   3.2   0.0
assign ( resid  16 and name   hn ) ( resid  17 and name  hd+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  19 and name  hb+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name hd2+ ) ( resid  19 and name  hb+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  34 and name he2+ )   3.5   1.7   0.0
assign ( resid  16 and name   hn ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  16 and name   hn ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name  hb+ )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name  hg+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  17 and name  hd+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  17 and name  hg+ )   5.0   3.2   0.0
assign ( resid  17 and name  hd+ ) ( resid  17 and name  hg+ )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name  hd+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name  hg+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  20 and name   ha )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  20 and name hg2+ )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  20 and name hg2+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  20 and name   hb )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  41 and name   ha )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  17 and name  hg+ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  43 and name   ha )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  43 and name  he+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  17 and name  hg+ ) ( resid  43 and name   ha )   5.0   3.2   0.0
assign ( resid  17 and name  hg+ ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  17 and name  hg+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name  hb+ )   3.5   1.7   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  19 and name  hb+ )   3.5   1.7   0.0
assign ( resid  18 and name   hn ) ( resid  19 and name  hb+ )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  43 and name  he+ )   3.5   1.7   0.0
assign ( resid  18 and name  hb+ ) ( resid  43 and name  he+ )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name  hb+ )   3.5   1.7   0.0
assign ( resid  19 and name  hb+ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  20 and name   hn )   3.5   1.7   0.0
assign ( resid  19 and name  hb+ ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  20 and name   ha )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  20 and name hg2+ )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  20 and name   hn )   3.5   1.7   0.0
assign ( resid  19 and name   hn ) ( resid  20 and name   hb )   5.0   3.2   0.0
assign ( resid  19 and name  hb+ ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name hg2+ )   3.5   1.7   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name   hn )   3.5   1.7   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name   hb )   3.5   1.7   0.0
assign ( resid  20 and name   hb ) ( resid  20 and name hg2+ )   3.5   1.7   0.0
assign ( resid  20 and name hg2+ ) ( resid  20 and name   hn )   3.5   1.7   0.0
assign ( resid  20 and name   ha ) ( resid  21 and name  hb+ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  21 and name   hn )   3.5   1.7   0.0
assign ( resid  20 and name   hb ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  21 and name   hn )   3.5   1.7   0.0
assign ( resid  20 and name   hn ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  22 and name   hb )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  22 and name hg++ )   3.5   1.7   0.0
assign ( resid  20 and name hg2+ ) ( resid  22 and name   ha )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  23 and name  hg+ )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  32 and name  ha+ )   3.5   1.7   0.0
assign ( resid  20 and name hg2+ ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  33 and name hg++ )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  20 and name   hb ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  34 and name  hg+ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  20 and name   hb ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  20 and name   hb ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  20 and name   hb ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  20 and name   hb ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  41 and name   ha )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  41 and name hd1+ )   3.5   1.7   0.0
assign ( resid  20 and name hg2+ ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  20 and name hg2+ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  20 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  20 and name   hn ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  hb+ )   3.5   1.7   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  hd+ )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  hg+ )   3.5   1.7   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name   hn )   3.5   1.7   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  he+ )   5.0   3.2   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name  hd+ )   3.5   1.7   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name  he+ )   5.0   3.2   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name  hg+ )   3.5   1.7   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name   hn )   3.5   1.7   0.0
assign ( resid  21 and name  hd+ ) ( resid  21 and name  he+ )   3.5   1.7   0.0
assign ( resid  21 and name  hd+ ) ( resid  21 and name  hg+ )   3.5   1.7   0.0
assign ( resid  21 and name  hd+ ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  he+ ) ( resid  21 and name  hg+ )   3.5   1.7   0.0
assign ( resid  21 and name  hg+ ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  22 and name   ha )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  22 and name   hb )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  22 and name hg++ )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  22 and name   hn )   3.5   1.7   0.0
assign ( resid  21 and name  hb+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  hd+ ) ( resid  22 and name   hb )   5.0   3.2   0.0
assign ( resid  21 and name  hd+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  he+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  hg+ ) ( resid  22 and name   hb )   5.0   3.2   0.0
assign ( resid  21 and name  hg+ ) ( resid  22 and name hg++ )   5.0   3.2   0.0
assign ( resid  21 and name  hg+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  hd+ ) ( resid  23 and name  hg+ )   5.0   3.2   0.0
assign ( resid  21 and name  he+ ) ( resid  23 and name  hg+ )   5.0   3.2   0.0
assign ( resid  21 and name  hg+ ) ( resid  23 and name  hg+ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name   hb )   3.5   1.7   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name hg++ )   3.5   1.7   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hb ) ( resid  22 and name hg++ )   3.5   1.7   0.0
assign ( resid  22 and name   hb ) ( resid  22 and name   hn )   3.5   1.7   0.0
assign ( resid  22 and name hg++ ) ( resid  22 and name   hn )   3.5   1.7   0.0
assign ( resid  22 and name   ha ) ( resid  23 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  23 and name  hg+ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  23 and name   hn )   3.5   1.7   0.0
assign ( resid  22 and name hg++ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  23 and name   ha )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  23 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  23 and name  hg+ )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  24 and name   ha )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  24 and name  hd+ )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  25 and name   hb )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  25 and name   ha )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  25 and name hg2+ )   3.5   1.7   0.0
assign ( resid  22 and name hg++ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hb ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  30 and name   ha )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  30 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  30 and name he2+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  32 and name  ha+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  32 and name  ha+ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  41 and name hd1+ )   3.5   1.7   0.0
assign ( resid  22 and name   hb ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  22 and name   hb ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  41 and name hd1+ )   3.5   1.7   0.0
assign ( resid  22 and name hg++ ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  22 and name hg++ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name  hg+ )   3.5   1.7   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  23 and name  hg+ )   3.5   1.7   0.0
assign ( resid  23 and name  hb+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  24 and name  hd+ )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  32 and name  ha+ )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  32 and name  ha+ )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  33 and name hg++ )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  33 and name   hb )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  33 and name hg++ )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  38 and name  hh2 )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  38 and name  hh2 )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name  hd+ )   3.5   1.7   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name  hd+ )   3.5   1.7   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name  he+ )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  25 and name   hn )   3.5   1.7   0.0
assign ( resid  24 and name  hb+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  25 and name   ha )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  25 and name hg2+ )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  he+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  he+ ) ( resid  26 and name   ha )   5.0   3.2   0.0
assign ( resid  24 and name  he+ ) ( resid  26 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name  he+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  31 and name  hd1 )   3.5   1.7   0.0
assign ( resid  24 and name  hd+ ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  he+ ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  24 and name  he+ ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  38 and name  hh2 )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  38 and name  hh2 )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name   hb )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name hg2+ )   3.5   1.7   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name hg2+ )   3.5   1.7   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  26 and name   hn )   3.5   1.7   0.0
assign ( resid  25 and name   hb ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  26 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  26 and name   hn )   3.5   1.7   0.0
assign ( resid  25 and name   hn ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  30 and name   ha )   3.5   1.7   0.0
assign ( resid  25 and name   ha ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hb ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  30 and name   ha )   3.5   1.7   0.0
assign ( resid  25 and name hg2+ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  30 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  30 and name he2+ )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name  hb+ )   3.5   1.7   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  30 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name  hb+ )   3.5   1.7   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name   hn )   3.5   1.7   0.0
assign ( resid  27 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  28 and name   hn )   3.5   1.7   0.0
assign ( resid  27 and name  hb+ ) ( resid  28 and name   ha )   5.0   3.2   0.0
assign ( resid  27 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   hn ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name  hb+ )   3.5   1.7   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hn )   3.5   1.7   0.0
assign ( resid  28 and name  hb+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name  hb+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name  hb+ ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  28 and name   hn ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  28 and name   hn ) ( resid  29 and name   hn )   3.5   1.7   0.0
assign ( resid  28 and name   ha ) ( resid  31 and name  hz2 )   5.0   3.2   0.0
assign ( resid  28 and name  hb+ ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  28 and name  hb+ ) ( resid  31 and name  hz2 )   5.0   3.2   0.0
assign ( resid  28 and name   hn ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  29 and name   hn )   3.5   1.7   0.0
assign ( resid  29 and name  ha+ ) ( resid  30 and name   ha )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  30 and name  hb+ )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  30 and name   hn )   3.5   1.7   0.0
assign ( resid  29 and name   hn ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid  30 and name  hb+ )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  30 and name he2+ )   5.0   3.2   0.0
assign ( resid  30 and name he2+ ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  30 and name  hg+ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name  hg+ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name  hb+ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  30 and name he2+ ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  30 and name he2+ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  30 and name  hg+ ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  30 and name  hg+ ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  30 and name  hg+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name  hd1 )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name  he3 )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  hd1 ) ( resid  31 and name  he1 )   5.0   3.2   0.0
assign ( resid  31 and name  hd1 ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  he1 ) ( resid  31 and name  hz2 )   5.0   3.2   0.0
assign ( resid  31 and name  he3 ) ( resid  31 and name  hh2 )   5.0   3.2   0.0
assign ( resid  31 and name  he3 ) ( resid  31 and name  hz3 )   5.0   3.2   0.0
assign ( resid  31 and name  hh2 ) ( resid  31 and name  hz2 )   3.5   1.7   0.0
assign ( resid  31 and name  hh2 ) ( resid  31 and name  hz3 )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  32 and name   hn )   3.5   1.7   0.0
assign ( resid  31 and name  hb+ ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  he3 ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   hn ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  38 and name  he3 )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name  he3 ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  he3 ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  he3 ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  hz3 ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  32 and name  ha+ ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name  ha+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name  ha+ ) ( resid  33 and name hg++ )   5.0   3.2   0.0
assign ( resid  32 and name  ha+ ) ( resid  33 and name   hb )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  33 and name hg++ )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  38 and name  he3 )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid  32 and name  ha+ ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name   hb )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name hg++ )   3.5   1.7   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   hb ) ( resid  33 and name hg++ )   3.5   1.7   0.0
assign ( resid  33 and name   hb ) ( resid  33 and name   hn )   3.5   1.7   0.0
assign ( resid  33 and name hg++ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  34 and name   hn )   3.5   1.7   0.0
assign ( resid  33 and name   hb ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  34 and name   ha )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  34 and name  hb+ )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  34 and name  hg+ )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  35 and name   ha )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  36 and name  ha+ )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  38 and name  he3 )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  38 and name  hh2 )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  38 and name  hz2 )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   hn ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name hg++ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   hn ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name  hb+ )   3.5   1.7   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name  hg+ )   3.5   1.7   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name   hn )   3.5   1.7   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name he2+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name  hg+ )   3.5   1.7   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name   hn )   3.5   1.7   0.0
assign ( resid  34 and name he2+ ) ( resid  34 and name  hg+ )   3.5   1.7   0.0
assign ( resid  34 and name  hg+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  35 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name hd2+ )   5.0   3.2   0.0
assign ( resid  34 and name he2+ ) ( resid  35 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name  hg+ ) ( resid  35 and name hd2+ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hg+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  37 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name  hb+ )   3.5   1.7   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name hd2+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  35 and name hd2+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  36 and name  ha+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  37 and name  hg+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  37 and name  hg+ )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  37 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name hd2+ ) ( resid  37 and name  hb+ )   5.0   3.2   0.0
assign ( resid  36 and name  ha+ ) ( resid  36 and name   hn )   3.5   1.7   0.0
assign ( resid  36 and name  ha+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name  hb+ )   3.5   1.7   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name  hg+ )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  37 and name  hg+ )   3.5   1.7   0.0
assign ( resid  37 and name  hb+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name he2+ ) ( resid  37 and name  hg+ )   5.0   3.2   0.0
assign ( resid  37 and name  hg+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  38 and name   hn )   3.5   1.7   0.0
assign ( resid  37 and name  hb+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name he2+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name  hg+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  hd1 )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  he3 )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name  hd1 )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name  he3 )   5.0   3.2   0.0
assign ( resid  38 and name  hd1 ) ( resid  38 and name  he1 )   5.0   3.2   0.0
assign ( resid  38 and name  hd1 ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  he1 ) ( resid  38 and name  hz2 )   5.0   3.2   0.0
assign ( resid  38 and name  he3 ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  38 and name  hh2 ) ( resid  38 and name  hz2 )   3.5   1.7   0.0
assign ( resid  38 and name  hh2 ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  38 and name  hz2 ) ( resid  38 and name  hz3 )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  39 and name   hn )   3.5   1.7   0.0
assign ( resid  38 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  he3 ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   hn ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hz3 ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name  hb+ )   3.5   1.7   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name hd1+ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name hg2+ )   3.5   1.7   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name hd1+ )   3.5   1.7   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name hg1+ )   5.0   3.2   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name hg2+ )   3.5   1.7   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hd1+ ) ( resid  41 and name hg1+ )   3.5   1.7   0.0
assign ( resid  41 and name hd1+ ) ( resid  41 and name hg2+ )   3.5   1.7   0.0
assign ( resid  41 and name hd1+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg1+ ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  41 and name hg1+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name   hn )   3.5   1.7   0.0
assign ( resid  41 and name   hb ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hd1+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg1+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  42 and name   ha )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hd1+ ) ( resid  43 and name  he+ )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  43 and name   ha )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  43 and name  he+ )   3.5   1.7   0.0
assign ( resid  41 and name hg2+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  43 and name   hn )   3.5   1.7   0.0
assign ( resid  42 and name   ha ) ( resid  43 and name   ha )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  44 and name   ha )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  hb+ )   3.5   1.7   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  he+ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name  hd+ )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name  he+ )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hd+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  he+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  55 and name   ha )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name  hb+ )   3.5   1.7   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  45 and name   hn )   3.5   1.7   0.0
assign ( resid  44 and name  hb+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  45 and name   hn )   3.5   1.7   0.0
assign ( resid  44 and name  hb+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name  hb+ )   3.5   1.7   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name  hd+ )   3.5   1.7   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name   hn )   3.5   1.7   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name  hd+ )   3.5   1.7   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name  he+ )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name   hn )   3.5   1.7   0.0
assign ( resid  45 and name  hd+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  he+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  46 and name   hn )   3.5   1.7   0.0
assign ( resid  45 and name   ha ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hd+ ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  45 and name  hd+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  he+ ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  45 and name  he+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hd+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  he+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  47 and name  hg+ )   5.0   3.2   0.0
assign ( resid  46 and name  ha+ ) ( resid  46 and name   hn )   3.5   1.7   0.0
assign ( resid  46 and name  ha+ ) ( resid  47 and name  hg+ )   5.0   3.2   0.0
assign ( resid  46 and name  ha+ ) ( resid  47 and name   hn )   3.5   1.7   0.0
assign ( resid  46 and name  ha+ ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name  hb+ )   3.5   1.7   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name  hg+ )   3.5   1.7   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name   hn )   3.5   1.7   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name he2+ )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name he2+ )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name  hg+ )   3.5   1.7   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name   hn )   3.5   1.7   0.0
assign ( resid  47 and name he2+ ) ( resid  47 and name  hg+ )   5.0   3.2   0.0
assign ( resid  47 and name  hg+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  48 and name   hn )   3.5   1.7   0.0
assign ( resid  47 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hg+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name  hb+ )   3.5   1.7   0.0
assign ( resid  48 and name  hb+ ) ( resid  48 and name hd2+ )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  49 and name   ha )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  52 and name  hg+ )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  96 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hb+ )   3.5   1.7   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hg+ )   3.5   1.7   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name   hn )   3.5   1.7   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name he2+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name he2+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name  hg+ )   3.5   1.7   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name he2+ ) ( resid  49 and name  hg+ )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  50 and name  ha+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  50 and name  ha+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  50 and name  ha+ )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  90 and name   ha )   3.5   1.7   0.0
assign ( resid  49 and name  hb+ ) ( resid  90 and name   ha )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  90 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  90 and name   ha )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  90 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  92 and name  hd+ )   3.5   1.7   0.0
assign ( resid  49 and name  hb+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  93 and name   hn )   3.5   1.7   0.0
assign ( resid  49 and name  hb+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  96 and name   hn )   3.5   1.7   0.0
assign ( resid  49 and name  hb+ ) ( resid  96 and name  hb+ )   3.5   1.7   0.0
assign ( resid  50 and name  ha+ ) ( resid  50 and name   hn )   3.5   1.7   0.0
assign ( resid  50 and name  ha+ ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name  ha+ ) ( resid  51 and name   hn )   3.5   1.7   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name  ha+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   hn ) ( resid  52 and name  hb+ )   5.0   3.2   0.0
assign ( resid  51 and name   hn ) ( resid  52 and name  hg+ )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  hb+ )   3.5   1.7   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  hg+ )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name   hn )   3.5   1.7   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name  hg+ )   3.5   1.7   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hg+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  53 and name   hn )   3.5   1.7   0.0
assign ( resid  52 and name  hb+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hg+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  53 and name   hn )   3.5   1.7   0.0
assign ( resid  52 and name   hn ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name  hb+ )   3.5   1.7   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name   hn )   3.5   1.7   0.0
assign ( resid  53 and name  hb+ ) ( resid  53 and name   hn )   3.5   1.7   0.0
assign ( resid  53 and name   ha ) ( resid  54 and name   ha )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  54 and name   hn )   3.5   1.7   0.0
assign ( resid  53 and name  hb+ ) ( resid  54 and name   hn )   3.5   1.7   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  55 and name   hn )   3.5   1.7   0.0
assign ( resid  54 and name   ha ) ( resid  55 and name   ha )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  55 and name   hb )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  55 and name   hb )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  57 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  62 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  62 and name   ha )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  88 and name   ha )   3.5   1.7   0.0
assign ( resid  54 and name   ha ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  88 and name   ha )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  88 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  88 and name  hg+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  88 and name   ha )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  89 and name   hn )   3.5   1.7   0.0
assign ( resid  54 and name   ha ) ( resid  89 and name   ha )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name   hb )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name hg2+ )   3.5   1.7   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name   hn )   3.5   1.7   0.0
assign ( resid  55 and name   hb ) ( resid  55 and name hg2+ )   3.5   1.7   0.0
assign ( resid  55 and name   hb ) ( resid  55 and name   hn )   3.5   1.7   0.0
assign ( resid  55 and name hg2+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  56 and name  ha+ )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  56 and name   hn )   3.5   1.7   0.0
assign ( resid  55 and name   hb ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  56 and name  ha+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  56 and name   hn )   3.5   1.7   0.0
assign ( resid  55 and name   hn ) ( resid  56 and name  ha+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  71 and name hg2+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  74 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  75 and name  ha+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  77 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  77 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  77 and name  hz2 )   3.5   1.7   0.0
assign ( resid  55 and name hg2+ ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  88 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  88 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  88 and name  hg+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  57 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name   hn ) ( resid  57 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name   hn ) ( resid  57 and name hd2+ )   5.0   3.2   0.0
assign ( resid  56 and name   hn ) ( resid  57 and name   hn )   3.5   1.7   0.0
assign ( resid  56 and name  ha+ ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  60 and name  he+ )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  60 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name   hn ) ( resid  74 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  77 and name  hz2 )   5.0   3.2   0.0
assign ( resid  56 and name  ha+ ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  56 and name   hn ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name  hb+ )   3.5   1.7   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name   hn )   3.5   1.7   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name hd2+ )   5.0   3.2   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hd2+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  58 and name   hn )   3.5   1.7   0.0
assign ( resid  57 and name  hb+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid  58 and name  ha+ )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  hb+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  58 and name  ha+ ) ( resid  58 and name   hn )   3.5   1.7   0.0
assign ( resid  58 and name  ha+ ) ( resid  59 and name   ha )   5.0   3.2   0.0
assign ( resid  58 and name  ha+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  59 and name   ha )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  59 and name  hb+ )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  59 and name   hn )   3.5   1.7   0.0
assign ( resid  58 and name  ha+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name  hb+ )   3.5   1.7   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name   hn )   3.5   1.7   0.0
assign ( resid  59 and name  hb+ ) ( resid  59 and name   hn )   3.5   1.7   0.0
assign ( resid  59 and name   ha ) ( resid  60 and name   ha )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  60 and name  he+ )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name   hn )   3.5   1.7   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  60 and name  he+ )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name  hd+ )   3.5   1.7   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name  hg+ )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  61 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  61 and name  hg+ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  61 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name   hn ) ( resid  61 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  77 and name  he3 )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  60 and name   hn ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name  hb+ )   3.5   1.7   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name  hg+ )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  61 and name  hd+ )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  61 and name  hg+ )   3.5   1.7   0.0
assign ( resid  61 and name  hd+ ) ( resid  61 and name  hg+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  62 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  62 and name   hn )   3.5   1.7   0.0
assign ( resid  61 and name   ha ) ( resid  62 and name   ha )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hg+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hd+ ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name  hg+ ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  85 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name  hd+ ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  61 and name  hg+ ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  61 and name  hg+ ) ( resid  85 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name  hg+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hb+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name   hn )   3.5   1.7   0.0
assign ( resid  62 and name  hb+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   hn ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  85 and name  hb+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   hn ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  88 and name  he+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  62 and name   hn ) ( resid  88 and name  he+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  64 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  64 and name   hn )   3.5   1.7   0.0
assign ( resid  63 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  65 and name hg2+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  65 and name   hb )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  65 and name hg2+ )   3.5   1.7   0.0
assign ( resid  63 and name  hb+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  65 and name hg2+ )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  80 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  85 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  85 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  87 and name   ha )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  87 and name   ha )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name  hb+ )   3.5   1.7   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name hd2+ )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name   hn )   3.5   1.7   0.0
assign ( resid  64 and name  hb+ ) ( resid  64 and name hd2+ )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name hd2+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name hg2+ )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name   hb )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name   ha )   5.0   3.2   0.0
assign ( resid  64 and name hd2+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name hd2+ ) ( resid  65 and name hg2+ )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  65 and name   hb )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  65 and name hg2+ )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  65 and name   ha )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  64 and name hd2+ ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  88 and name  he+ )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name   hb )   3.5   1.7   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name hg2+ )   3.5   1.7   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name   hn )   3.5   1.7   0.0
assign ( resid  65 and name   hb ) ( resid  65 and name hg2+ )   3.5   1.7   0.0
assign ( resid  65 and name   hb ) ( resid  65 and name   hn )   3.5   1.7   0.0
assign ( resid  65 and name hg2+ ) ( resid  65 and name   hn )   3.5   1.7   0.0
assign ( resid  65 and name   ha ) ( resid  66 and name   ha )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  66 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  66 and name   hn )   3.5   1.7   0.0
assign ( resid  65 and name   hb ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  66 and name   ha )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  66 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  67 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  67 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  67 and name   ha )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  67 and name  hg+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  67 and name   hn )   3.5   1.7   0.0
assign ( resid  65 and name   hn ) ( resid  67 and name he2+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  78 and name  hb+ )   3.5   1.7   0.0
assign ( resid  65 and name hg2+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   hb ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  80 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  80 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  87 and name   ha )   5.0   3.2   0.0
assign ( resid  65 and name hg2+ ) ( resid  87 and name hd1+ )   3.5   1.7   0.0
assign ( resid  65 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name  hb+ )   3.5   1.7   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  67 and name   ha )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  67 and name   ha )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid  67 and name  hb+ )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  87 and name hd1+ )   3.5   1.7   0.0
assign ( resid  66 and name   ha ) ( resid  87 and name   ha )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  87 and name hg2+ )   3.5   1.7   0.0
assign ( resid  66 and name  hb+ ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  91 and name  hb+ )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  91 and name   ha )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  91 and name  hb+ )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid  91 and name  hb+ )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name  hb+ )   3.5   1.7   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name  hg+ )   3.5   1.7   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name   hn )   3.5   1.7   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name  hg+ )   3.5   1.7   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name   hn )   3.5   1.7   0.0
assign ( resid  67 and name he2+ ) ( resid  67 and name  hg+ )   5.0   3.2   0.0
assign ( resid  67 and name  hg+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  68 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  68 and name   hn )   3.5   1.7   0.0
assign ( resid  67 and name  hb+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name he2+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name he2+ ) ( resid  68 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name  hg+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  68 and name   ha )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  69 and name hg2+ )   5.0   3.2   0.0
assign ( resid  67 and name he2+ ) ( resid  69 and name hg2+ )   5.0   3.2   0.0
assign ( resid  67 and name  hg+ ) ( resid  69 and name   ha )   5.0   3.2   0.0
assign ( resid  67 and name  hg+ ) ( resid  69 and name hg2+ )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name  hb+ )   3.5   1.7   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name   hn )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  68 and name   hn )   3.5   1.7   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name hg2+ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name   hn )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  69 and name   hn )   3.5   1.7   0.0
assign ( resid  68 and name   hn ) ( resid  69 and name hg2+ )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  70 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  70 and name   hn )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  71 and name   hb )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  76 and name  hb+ )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  77 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  78 and name  hb+ )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  78 and name  hb+ )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  87 and name hd1+ )   3.5   1.7   0.0
assign ( resid  68 and name   ha ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  87 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  87 and name hd1+ )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  87 and name hg2+ )   3.5   1.7   0.0
assign ( resid  68 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name   hb )   3.5   1.7   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name hg2+ )   3.5   1.7   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hb ) ( resid  69 and name hg2+ )   3.5   1.7   0.0
assign ( resid  69 and name   hb ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hb ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  70 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  70 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  70 and name  he+ )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  70 and name   hn )   3.5   1.7   0.0
assign ( resid  69 and name   hn ) ( resid  70 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  77 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name   hb ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name   hb ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  78 and name  hb+ )   3.5   1.7   0.0
assign ( resid  69 and name   hn ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  79 and name  hd+ )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name hg2+ ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name  hd+ )   3.5   1.7   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name  hd+ )   3.5   1.7   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name  he+ )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  71 and name   hn )   3.5   1.7   0.0
assign ( resid  70 and name  hb+ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  71 and name hg2+ )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  71 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name  he+ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  he+ ) ( resid  72 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name  he+ ) ( resid  72 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name  he+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  he+ ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  70 and name  he+ ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  77 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name  hd+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name   hb )   3.5   1.7   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name hg2+ )   3.5   1.7   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   hb ) ( resid  71 and name hg2+ )   3.5   1.7   0.0
assign ( resid  71 and name   hb ) ( resid  71 and name   hn )   3.5   1.7   0.0
assign ( resid  71 and name hg2+ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  72 and name   hn )   3.5   1.7   0.0
assign ( resid  71 and name   hb ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  72 and name   ha )   3.5   1.7   0.0
assign ( resid  71 and name hg2+ ) ( resid  72 and name  hb+ )   5.0   3.2   0.0
assign ( resid  71 and name   hn ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  76 and name   ha )   3.5   1.7   0.0
assign ( resid  71 and name hg2+ ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name hg2+ ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  71 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   hn ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name  hb+ )   3.5   1.7   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name  ha+ )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  73 and name  ha+ )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  73 and name   hn )   3.5   1.7   0.0
assign ( resid  73 and name  ha+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name   hn ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name   hn ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name  hb+ )   3.5   1.7   0.0
assign ( resid  74 and name  hb+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name  hb+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  75 and name  ha+ )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  75 and name   hn )   3.5   1.7   0.0
assign ( resid  74 and name  hb+ ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  74 and name  hb+ ) ( resid  77 and name  hz2 )   5.0   3.2   0.0
assign ( resid  74 and name  hb+ ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  77 and name  hz2 )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  75 and name  ha+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name  ha+ ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  75 and name  ha+ ) ( resid  76 and name   hn )   3.5   1.7   0.0
assign ( resid  75 and name  ha+ ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  75 and name  ha+ ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  75 and name   hn ) ( resid  77 and name  he1 )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  77 and name   hn )   3.5   1.7   0.0
assign ( resid  76 and name  hb+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  he3 )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name  hd1 )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name  he3 )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hd1 ) ( resid  77 and name  he1 )   3.5   1.7   0.0
assign ( resid  77 and name  hd1 ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hd1 ) ( resid  77 and name  hz2 )   5.0   3.2   0.0
assign ( resid  77 and name  he1 ) ( resid  77 and name  hh2 )   5.0   3.2   0.0
assign ( resid  77 and name  he1 ) ( resid  77 and name  hz2 )   5.0   3.2   0.0
assign ( resid  77 and name  he3 ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  77 and name  hh2 ) ( resid  77 and name  hz2 )   3.5   1.7   0.0
assign ( resid  77 and name  hh2 ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  77 and name  hz2 ) ( resid  77 and name  hz3 )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  78 and name   hn )   3.5   1.7   0.0
assign ( resid  77 and name   ha ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  77 and name  he3 ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  78 and name  hb+ )   5.0   3.2   0.0
assign ( resid  77 and name  he3 ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  he3 ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  77 and name  he3 ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  77 and name  he3 ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  77 and name  hz3 ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  87 and name hg2+ )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name  hb+ )   3.5   1.7   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  79 and name   hn )   3.5   1.7   0.0
assign ( resid  78 and name   hn ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  84 and name  hz3 )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  84 and name   ha )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  85 and name  hb+ )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  87 and name   ha )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  87 and name hd1+ )   3.5   1.7   0.0
assign ( resid  78 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name  hd+ )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name  hd+ )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  80 and name   hn )   3.5   1.7   0.0
assign ( resid  79 and name  hb+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hd+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  he+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   hn ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hd+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  he+ ) ( resid  82 and name  ha+ )   5.0   3.2   0.0
assign ( resid  79 and name  he+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   hz ) ( resid  82 and name  ha+ )   5.0   3.2   0.0
assign ( resid  79 and name   hz ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hd+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  he+ ) ( resid  83 and name   ha )   5.0   3.2   0.0
assign ( resid  79 and name  he+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   hz ) ( resid  83 and name   ha )   5.0   3.2   0.0
assign ( resid  79 and name   hz ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  84 and name   ha )   3.5   1.7   0.0
assign ( resid  79 and name  he+ ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hd+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   hn ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hb+ )   3.5   1.7   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hg+ )   3.5   1.7   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name   hn )   3.5   1.7   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name  hg+ )   3.5   1.7   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name   ha )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  81 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  81 and name hd2+ )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  81 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  81 and name hd2+ )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  81 and name   ha )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  81 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  84 and name   ha )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name  hb+ )   3.5   1.7   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name hd2+ )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name hd2+ )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  82 and name  ha+ )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  82 and name   hn )   3.5   1.7   0.0
assign ( resid  81 and name  hb+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name   hn ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  82 and name  ha+ ) ( resid  82 and name   hn )   3.5   1.7   0.0
assign ( resid  82 and name  ha+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name  ha+ ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  82 and name   hn ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   hn ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name  hb+ )   3.5   1.7   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name   hn )   3.5   1.7   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name hd2+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   hn ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   hn ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  hb+ ) ( resid  84 and name  hd1 )   5.0   3.2   0.0
assign ( resid  84 and name  hb+ ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  hd1 ) ( resid  84 and name  he1 )   5.0   3.2   0.0
assign ( resid  84 and name  he1 ) ( resid  84 and name  hz2 )   5.0   3.2   0.0
assign ( resid  84 and name  hh2 ) ( resid  84 and name  hz2 )   5.0   3.2   0.0
assign ( resid  84 and name  hh2 ) ( resid  84 and name  hz3 )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  85 and name   hn )   3.5   1.7   0.0
assign ( resid  84 and name   ha ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  84 and name  hb+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   ha ) ( resid  85 and name  hb+ )   3.5   1.7   0.0
assign ( resid  85 and name   ha ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name  hb+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   ha ) ( resid  86 and name   hn )   3.5   1.7   0.0
assign ( resid  85 and name   ha ) ( resid  86 and name  ha+ )   5.0   3.2   0.0
assign ( resid  85 and name  hb+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   hn ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  ha+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  ha+ ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  86 and name  ha+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name   hb )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name hd1+ )   3.5   1.7   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name hg2+ )   3.5   1.7   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   hb ) ( resid  87 and name hd1+ )   5.0   3.2   0.0
assign ( resid  87 and name   hb ) ( resid  87 and name hg1+ )   5.0   3.2   0.0
assign ( resid  87 and name   hb ) ( resid  87 and name hg2+ )   3.5   1.7   0.0
assign ( resid  87 and name   hb ) ( resid  87 and name   hn )   3.5   1.7   0.0
assign ( resid  87 and name hd1+ ) ( resid  87 and name hg1+ )   3.5   1.7   0.0
assign ( resid  87 and name hd1+ ) ( resid  87 and name hg2+ )   3.5   1.7   0.0
assign ( resid  87 and name hd1+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name hg1+ ) ( resid  87 and name hg2+ )   3.5   1.7   0.0
assign ( resid  87 and name hg1+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  88 and name   ha )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  88 and name  hb+ )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  88 and name  hg+ )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  88 and name   hn )   3.5   1.7   0.0
assign ( resid  87 and name   ha ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  87 and name hd1+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name hg1+ ) ( resid  88 and name  hg+ )   5.0   3.2   0.0
assign ( resid  87 and name hg1+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  88 and name  hb+ )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  88 and name  hg+ )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   hn ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  89 and name   ha )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   hb ) ( resid  91 and name  hb+ )   5.0   3.2   0.0
assign ( resid  87 and name hd1+ ) ( resid  91 and name  hb+ )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  91 and name   ha )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  91 and name  hb+ )   3.5   1.7   0.0
assign ( resid  87 and name hg2+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  92 and name  he+ )   5.0   3.2   0.0
assign ( resid  87 and name hg2+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name  hb+ )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name  he+ )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name  hg+ )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hb+ ) ( resid  88 and name  hd+ )   5.0   3.2   0.0
assign ( resid  88 and name  hb+ ) ( resid  88 and name  he+ )   5.0   3.2   0.0
assign ( resid  88 and name  hb+ ) ( resid  88 and name  hg+ )   5.0   3.2   0.0
assign ( resid  88 and name  hb+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hd+ ) ( resid  88 and name  he+ )   5.0   3.2   0.0
assign ( resid  88 and name  hd+ ) ( resid  88 and name  hg+ )   3.5   1.7   0.0
assign ( resid  88 and name  hd+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  he+ ) ( resid  88 and name  hg+ )   3.5   1.7   0.0
assign ( resid  88 and name  he+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hg+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  89 and name   hn )   3.5   1.7   0.0
assign ( resid  88 and name  hb+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hd+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hg+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   hn ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  90 and name  hb+ )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hb+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hd+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name  hb+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   hn ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name  hb+ )   3.5   1.7   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name   hn )   3.5   1.7   0.0
assign ( resid  89 and name  hb+ ) ( resid  89 and name hd2+ )   5.0   3.2   0.0
assign ( resid  89 and name  hb+ ) ( resid  89 and name   hn )   3.5   1.7   0.0
assign ( resid  89 and name hd2+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  90 and name   ha )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name  hb+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name  hb+ ) ( resid  90 and name   ha )   5.0   3.2   0.0
assign ( resid  89 and name   hn ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   hn ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  92 and name  hb+ )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  92 and name  hd+ )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  92 and name  hg+ )   3.5   1.7   0.0
assign ( resid  89 and name  hb+ ) ( resid  92 and name  hg+ )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name  hb+ )   3.5   1.7   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name  hb+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name  hb+ ) ( resid  91 and name   ha )   5.0   3.2   0.0
assign ( resid  90 and name  hb+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   hn ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name  hb+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   hn ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name  hb+ )   3.5   1.7   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name   hn )   3.5   1.7   0.0
assign ( resid  91 and name  hb+ ) ( resid  91 and name   hn )   3.5   1.7   0.0
assign ( resid  91 and name   ha ) ( resid  92 and name  hg+ )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  92 and name  hb+ )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  92 and name   hn )   3.5   1.7   0.0
assign ( resid  91 and name  hb+ ) ( resid  92 and name  hg+ )   5.0   3.2   0.0
assign ( resid  91 and name  hb+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   hn ) ( resid  92 and name  hb+ )   5.0   3.2   0.0
assign ( resid  91 and name   hn ) ( resid  92 and name  hg+ )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name  hb+ )   3.5   1.7   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name  hd+ )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name  he+ )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name  hg+ )   3.5   1.7   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name   hn )   3.5   1.7   0.0
assign ( resid  92 and name  hb+ ) ( resid  92 and name  hd+ )   3.5   1.7   0.0
assign ( resid  92 and name  hb+ ) ( resid  92 and name  he+ )   5.0   3.2   0.0
assign ( resid  92 and name  hb+ ) ( resid  92 and name  hg+ )   3.5   1.7   0.0
assign ( resid  92 and name  hb+ ) ( resid  92 and name   hn )   3.5   1.7   0.0
assign ( resid  92 and name  hd+ ) ( resid  92 and name  he+ )   3.5   1.7   0.0
assign ( resid  92 and name  hd+ ) ( resid  92 and name  hg+ )   3.5   1.7   0.0
assign ( resid  92 and name  hd+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name  he+ ) ( resid  92 and name  hg+ )   3.5   1.7   0.0
assign ( resid  92 and name  he+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name  hg+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  93 and name   hn )   3.5   1.7   0.0
assign ( resid  92 and name  hb+ ) ( resid  93 and name he2+ )   5.0   3.2   0.0
assign ( resid  92 and name  hb+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name  he+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name  hg+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   hn ) ( resid  93 and name  hb+ )   5.0   3.2   0.0
assign ( resid  92 and name   hn ) ( resid  93 and name   hn )   3.5   1.7   0.0
assign ( resid  92 and name  he+ ) ( resid  96 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name  hb+ )   3.5   1.7   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name he2+ )   5.0   3.2   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name  hg+ )   3.5   1.7   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name   hn )   3.5   1.7   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name  hg+ )   3.5   1.7   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name   hn )   3.5   1.7   0.0
assign ( resid  93 and name he2+ ) ( resid  93 and name  hg+ )   3.5   1.7   0.0
assign ( resid  93 and name  hg+ ) ( resid  93 and name   hn )   3.5   1.7   0.0
assign ( resid  93 and name   ha ) ( resid  94 and name   hn )   3.5   1.7   0.0
assign ( resid  93 and name  hb+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hg+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name   hn ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name  hb+ )   3.5   1.7   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name  hg+ )   3.5   1.7   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name   hn )   3.5   1.7   0.0
assign ( resid  94 and name  hb+ ) ( resid  94 and name  hg+ )   3.5   1.7   0.0
assign ( resid  94 and name  hb+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name he2+ ) ( resid  94 and name  hg+ )   5.0   3.2   0.0
assign ( resid  94 and name  hg+ ) ( resid  94 and name   hn )   3.5   1.7   0.0
assign ( resid  94 and name   ha ) ( resid  95 and name  hd+ )   3.5   1.7   0.0
assign ( resid  94 and name   ha ) ( resid  95 and name  hg+ )   5.0   3.2   0.0
assign ( resid  94 and name  hb+ ) ( resid  95 and name  hd+ )   5.0   3.2   0.0
assign ( resid  94 and name he2+ ) ( resid  95 and name  hd+ )   5.0   3.2   0.0
assign ( resid  94 and name  hg+ ) ( resid  95 and name  hd+ )   5.0   3.2   0.0
assign ( resid  94 and name  hg+ ) ( resid  95 and name  hg+ )   5.0   3.2   0.0
assign ( resid  94 and name   hn ) ( resid  95 and name  hd+ )   5.0   3.2   0.0
assign ( resid  95 and name   ha ) ( resid  95 and name  hb+ )   3.5   1.7   0.0
assign ( resid  95 and name   ha ) ( resid  95 and name  hd+ )   5.0   3.2   0.0
assign ( resid  95 and name   ha ) ( resid  95 and name  hg+ )   5.0   3.2   0.0
assign ( resid  95 and name  hb+ ) ( resid  95 and name  hd+ )   5.0   3.2   0.0
assign ( resid  95 and name  hb+ ) ( resid  95 and name  hg+ )   3.5   1.7   0.0
assign ( resid  95 and name  hd+ ) ( resid  95 and name  hg+ )   5.0   3.2   0.0
assign ( resid  95 and name   ha ) ( resid  96 and name  hg+ )   5.0   3.2   0.0
assign ( resid  95 and name   ha ) ( resid  96 and name   hn )   3.5   1.7   0.0
assign ( resid  95 and name  hb+ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name  hd+ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name   ha ) ( resid  96 and name  hb+ )   3.5   1.7   0.0
assign ( resid  96 and name   ha ) ( resid  96 and name  hg+ )   3.5   1.7   0.0
assign ( resid  96 and name   ha ) ( resid  96 and name   hn )   3.5   1.7   0.0
assign ( resid  96 and name  hb+ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name  hg+ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name   ha ) ( resid  97 and name   hn )   3.5   1.7   0.0
!Dihedral restraints (TALOS and HNHA)
!Most HNHA restraints reverted back to original apart from +ve phis 28feb05
assign (resid    1  and name C)  (resid    2  and name N)
       (resid    2  and name CA) (resid    2  and name C)  1.0 -120.0 50.0 2
assign (resid    3  and name C)  (resid    4  and name N)
       (resid    4  and name CA) (resid    4  and name C)  1.0 -55.0 35.0 2
assign (resid    5  and name C)  (resid    6  and name N)
       (resid    6  and name CA) (resid    6  and name C)  1.0 -55.0 35.0 2
assign (resid   11  and name C)  (resid   12  and name N)
       (resid   12  and name CA) (resid   12  and name C)  1.0 -120.0 40.0 2
assign (resid   13  and name C)  (resid   14  and name N)
       (resid   14  and name CA) (resid   14  and name C)  1.0 -55.0 45.0 2
assign (resid   14  and name C)  (resid   15  and name N)
       (resid   15  and name CA) (resid   15  and name C)  1.0 -55.0 35.0 2
!The following was changed to +ve phi 04jan05
assign (resid   15  and name C)  (resid   16  and name N)
       (resid   16  and name CA) (resid   16  and name C)  1.0  55.0 45.0 2
assign (resid   17  and name C)  (resid   18  and name N)
       (resid   18  and name CA) (resid   18  and name C)  1.0 -120.0 60.0 2
assign (resid   18  and name C)  (resid   19  and name N)
       (resid   19  and name CA) (resid   19  and name C)  1.0 -120.0 40.0 2
assign (resid   20  and name C)  (resid   21  and name N)
       (resid   21  and name CA) (resid   21  and name C)  1.0 -55.0 35.0 2
assign (resid   21  and name C)  (resid   22  and name N)
       (resid   22  and name CA) (resid   22  and name C)  1.0 -55.0 35.0 2
!Following phi changed from -55 to -90 and error increased 35 to 70 on 03mar05
assign (resid   23  and name C)  (resid   24  and name N)
       (resid   24  and name CA) (resid   24  and name C)  1.0 -90.0 45.0 2
!Following phi changed from -55 to -90 and error increased 35 to 70 on 04jan05
assign (resid   25  and name C)  (resid   26  and name N)
       (resid   26  and name CA) (resid   26  and name C)  1.0 -90.0 70.0 2
assign (resid   26  and name C)  (resid   27  and name N)
       (resid   27  and name CA) (resid   27  and name C)  1.0 -55.0 35.0 2
assign (resid   27  and name C)  (resid   28  and name N)
       (resid   28  and name CA) (resid   28  and name C)  1.0 -120.0 40.0 2
assign (resid   30  and name C)  (resid   31  and name N)
       (resid   31  and name CA) (resid   31  and name C)  1.0 -120.0 40.0 2
!Following phi changed from -55 to -90 and error increased 35 to 70 on 04jan05
assign (resid   33  and name C)  (resid   34  and name N)
       (resid   34  and name CA) (resid   34  and name C)  1.0 -90.0 70.0 2
!The following was changed to +ve phi 04jan05
assign (resid   34  and name C)  (resid   35  and name N)
       (resid   35  and name CA) (resid   35  and name C)  1.0  55.0 45.0 2
assign (resid   36  and name C)  (resid   37  and name N)
       (resid   37  and name CA) (resid   37  and name C)  1.0 -120.0 60.0 2
assign (resid   37  and name C)  (resid   38  and name N)
       (resid   38  and name CA) (resid   38  and name C)  1.0 -120.0 60.0 2
!Following phi changed from -55 to -90 on 28feb05
assign (resid   40  and name C)  (resid   41  and name N)
       (resid   41  and name CA) (resid   41  and name C)  1.0 -90.0 35.0 2
!Following phi changed from -55 to -90 and error increased 35 to 70 on 04jan05
assign (resid   41  and name C)  (resid   42  and name N)
       (resid   42  and name CA) (resid   42  and name C)  1.0 -90.0 70.0 2
assign (resid   42  and name C)  (resid   43  and name N)
       (resid   43  and name CA) (resid   43  and name C)  1.0 -55.0 35.0 2
assign (resid   43  and name C)  (resid   44  and name N)
       (resid   44  and name CA) (resid   44  and name C)  1.0 -120.0 40.0 2
assign (resid   48  and name C)  (resid   49  and name N)
       (resid   49  and name CA) (resid   49  and name C)  1.0 -55.0 35.0 2
assign (resid   51  and name C)  (resid   52  and name N)
       (resid   52  and name CA) (resid   52  and name C)  1.0 -55.0 35.0 2
assign (resid   52  and name C)  (resid   53  and name N)
       (resid   53  and name CA) (resid   53  and name C)  1.0 -120.0 40.0 2
assign (resid   54  and name C)  (resid   55  and name N)
       (resid   55  and name CA) (resid   55  and name C)  1.0 -55.0 35.0 2
assign (resid   56  and name C)  (resid   57  and name N)
       (resid   57  and name CA) (resid   57  and name C)  1.0 -120.0 40.0 2
assign (resid   58  and name C)  (resid   59  and name N)
       (resid   59  and name CA) (resid   59  and name C)  1.0 -120.0 40.0 2
assign (resid   59  and name C)  (resid   60  and name N)
       (resid   60  and name CA) (resid   60  and name C)  1.0 -120.0 50.0 2
!The following was changed to +ve phi 04jan05
assign (resid   63  and name C)  (resid   64  and name N)
       (resid   64  and name CA) (resid   64  and name C)  1.0  55.0 65.0 2
!Error increased from 50 to 60 on 02mar05
assign (resid   66  and name C)  (resid   67  and name N)
       (resid   67  and name CA) (resid   67  and name C)  1.0 -120.0 60.0 2
assign (resid   68  and name C)  (resid   69  and name N)
       (resid   69  and name CA) (resid   69  and name C)  1.0 -120.0 60.0 2
assign (resid   69  and name C)  (resid   70  and name N)
       (resid   70  and name CA) (resid   70  and name C)  1.0 -120.0 50.0 2
assign (resid   70  and name C)  (resid   71  and name N)
       (resid   71  and name CA) (resid   71  and name C)  1.0 -120.0 40.0 2
!Following phi changed from -55 to -90 and error increased 35 to 70 on 19jan05
assign (resid   71  and name C)  (resid   72  and name N)
       (resid   72  and name CA) (resid   72  and name C)  1.0 -90.0 70.0 2
assign (resid   75  and name C)  (resid   76  and name N)
       (resid   76  and name CA) (resid   76  and name C)  1.0 -120.0 50.0 2
assign (resid   78  and name C)  (resid   79  and name N)
       (resid   79  and name CA) (resid   79  and name C)  1.0 -120.0 40.0 2
assign (resid   79  and name C)  (resid   80  and name N)
       (resid   80  and name CA) (resid   80  and name C)  1.0 -120.0 50.0 2
assign (resid   82  and name C)  (resid   83  and name N)
       (resid   83  and name CA) (resid   83  and name C)  1.0 -120.0 40.0 2
!Following phi changed from -55 to -90 and error increased 35 to 70 on 06jan05
assign (resid   83  and name C)  (resid   84  and name N)
       (resid   84  and name CA) (resid   84  and name C)  1.0 -90.0 70.0 2
assign (resid   88  and name C)  (resid   89  and name N)
       (resid   89  and name CA) (resid   89  and name C)  1.0 -55.0 35.0 2
assign (resid   89  and name C)  (resid   90  and name N)
       (resid   90  and name CA) (resid   90  and name C)  1.0 -55.0 35.0 2
assign (resid   90  and name C)  (resid   91  and name N)
       (resid   91  and name CA) (resid   91  and name C)  1.0 -55.0 35.0 2
assign (resid   92  and name C)  (resid   93  and name N)
       (resid   93  and name CA) (resid   93  and name C)  1.0 -120.0 40.0 2
assign (resid   93  and name C)  (resid   94  and name N)
       (resid   94  and name CA) (resid   94  and name C)  1.0 -120.0 60.0 2
!Errors increased 03mar05
assign (resid  2 and name n ) (resid  2 and name ca ) 
 (resid  2 and name c ) (resid  3 and name n ) 1.0   134 45  2 ! 2 134 30
assign (resid  2 and name c ) (resid  3 and name n ) 
 (resid  3 and name ca ) (resid  3 and name c ) 1.0   -98 59  2 ! 3 -98 39
assign (resid  3 and name n ) (resid  3 and name ca ) 
 (resid  3 and name c ) (resid  4 and name n ) 1.0   131 99  2 ! 3 131 66
!End of increased errors 03mar05
assign (resid  4 and name n ) (resid  4 and name ca ) 
 (resid  4 and name c ) (resid  5 and name n ) 1.0   145 54  2 ! 4 145 54
assign (resid  4 and name c ) (resid  5 and name n ) 
 (resid  5 and name ca ) (resid  5 and name c ) 1.0   -70 30  2 ! 5 -70 30
assign (resid  5 and name n ) (resid  5 and name ca ) 
 (resid  5 and name c ) (resid  6 and name n ) 1.0   -30 39  2 ! 5 -30 39
assign (resid  6 and name n ) (resid  6 and name ca ) 
 (resid  6 and name c ) (resid  7 and name n ) 1.0   -39 33  2 ! 6 -39 33
assign (resid  6 and name c ) (resid  7 and name n ) 
 (resid  7 and name ca ) (resid  7 and name c ) 1.0   -68 27  2 ! 7 -68 27
assign (resid  7 and name n ) (resid  7 and name ca ) 
 (resid  7 and name c ) (resid  8 and name n ) 1.0   -36 27  2 ! 7 -36 27
assign (resid  7 and name c ) (resid  8 and name n ) 
 (resid  8 and name ca ) (resid  8 and name c ) 1.0   -66 24  2 ! 8 -66 24
assign (resid  8 and name n ) (resid  8 and name ca ) 
 (resid  8 and name c ) (resid  9 and name n ) 1.0   -22 27  2 ! 8 -22 27
assign (resid  8 and name c ) (resid  9 and name n ) 
 (resid  9 and name ca ) (resid  9 and name c ) 1.0   -100 48  2 ! 9 -100 48
assign (resid  9 and name n ) (resid  9 and name ca ) 
 (resid  9 and name c ) (resid  10 and name n ) 1.0   7 42  2 ! 9 7 42
assign (resid  10 and name c ) (resid  11 and name n ) 
 (resid  11 and name ca ) (resid  11 and name c ) 1.0   -118 54  2 ! 11 -118 54
assign (resid  11 and name n ) (resid  11 and name ca ) 
 (resid  11 and name c ) (resid  12 and name n ) 1.0   158 36  2 ! 11 158 36
assign (resid  12 and name n ) (resid  12 and name ca ) 
 (resid  12 and name c ) (resid  13 and name n ) 1.0   138 42  2 ! 12 138 42
!Error increased from 66 to 70 on 02mar05
assign (resid  12 and name c ) (resid  13 and name n ) 
 (resid  13 and name ca ) (resid  13 and name c ) 1.0   -123 70  2 ! 13 -123 66
assign (resid  13 and name n ) (resid  13 and name ca ) 
!Error increased from 48 to 55 on 02mar05
 (resid  13 and name c ) (resid  14 and name n ) 1.0   143 55  2 ! 13 143 48
assign (resid  13 and name c ) (resid  14 and name n ) 
 (resid  14 and name ca ) (resid  14 and name c ) 1.0   -132 45  2 ! 14 -132 45
assign (resid  14 and name n ) (resid  14 and name ca ) 
 (resid  14 and name c ) (resid  15 and name n ) 1.0   142 51  2 ! 14 142 51
assign (resid  16 and name c ) (resid  17 and name n ) 
 (resid  17 and name ca ) (resid  17 and name c ) 1.0   -57 12  2 ! 17 -57 12
assign (resid  17 and name n ) (resid  17 and name ca ) 
 (resid  17 and name c ) (resid  18 and name n ) 1.0   -34 39  2 ! 17 -34 39
assign (resid  18 and name n ) (resid  18 and name ca ) 
 (resid  18 and name c ) (resid  19 and name n ) 1.0   -27 51  2 ! 18 -27 51
assign (resid  19 and name c ) (resid  20 and name n ) 
 (resid  20 and name ca ) (resid  20 and name c ) 1.0   -83 69  2 ! 20 -83 69
assign (resid  20 and name n ) (resid  20 and name ca ) 
 (resid  20 and name c ) (resid  21 and name n ) 1.0   127 39  2 ! 20 127 39
assign (resid  21 and name n ) (resid  21 and name ca ) 
 (resid  21 and name c ) (resid  22 and name n ) 1.0   129 51  2 ! 21 129 51
assign (resid  22 and name n ) (resid  22 and name ca ) 
 (resid  22 and name c ) (resid  23 and name n ) 1.0   125 27  2 ! 22 125 27
assign (resid  22 and name c ) (resid  23 and name n ) 
 (resid  23 and name ca ) (resid  23 and name c ) 1.0   -106 30  2 ! 23 -106 30
assign (resid  23 and name n ) (resid  23 and name ca ) 
 (resid  23 and name c ) (resid  24 and name n ) 1.0   -30 30  2 ! 23 -30 30
assign (resid  24 and name n ) (resid  24 and name ca ) 
 (resid  24 and name c ) (resid  25 and name n ) 1.0   143 42  2 ! 24 143 42
!Error decreased form 69 to 60 in following
assign (resid  24 and name c ) (resid  25 and name n ) 
 (resid  25 and name ca ) (resid  25 and name c ) 1.0   -121 60  2 ! 25 -121 69
assign (resid  25 and name n ) (resid  25 and name ca ) 
 (resid  25 and name c ) (resid  26 and name n ) 1.0   129 30  2 ! 25 129 30
assign (resid  26 and name n ) (resid  26 and name ca ) 
 (resid  26 and name c ) (resid  27 and name n ) 1.0   165 84  2 ! 26 165 84
assign (resid  27 and name n ) (resid  27 and name ca ) 
 (resid  27 and name c ) (resid  28 and name n ) 1.0   -20 78  2 ! 27 -20 78
assign (resid  28 and name n ) (resid  28 and name ca ) 
 (resid  28 and name c ) (resid  29 and name n ) 1.0   -19 57  2 ! 28 -19 57
assign (resid  29 and name c ) (resid  30 and name n ) 
 (resid  30 and name ca ) (resid  30 and name c ) 1.0   -118 45  2 ! 30 -118 45
assign (resid  30 and name n ) (resid  30 and name ca ) 
 (resid  30 and name c ) (resid  31 and name n ) 1.0   137 36  2 ! 30 137 36
assign (resid  31 and name n ) (resid  31 and name ca ) 
 (resid  31 and name c ) (resid  32 and name n ) 1.0   140 39  2 ! 31 140 39
assign (resid  32 and name c ) (resid  33 and name n ) 
 (resid  33 and name ca ) (resid  33 and name c ) 1.0   -110 42  2 ! 33 -110 42
assign (resid  33 and name n ) (resid  33 and name ca ) 
 (resid  33 and name c ) (resid  34 and name n ) 1.0   131 30  2 ! 33 131 30
assign (resid  34 and name n ) (resid  34 and name ca ) 
 (resid  34 and name c ) (resid  35 and name n ) 1.0   125 36  2 ! 34 125 36
assign (resid  35 and name n ) (resid  35 and name ca ) 
 (resid  35 and name c ) (resid  36 and name n ) 1.0   42 24  2 ! 35 42 24
assign (resid  35 and name c ) (resid  36 and name n ) 
 (resid  36 and name ca ) (resid  36 and name c ) 1.0   79 27  2 ! 36 79 27
assign (resid  36 and name n ) (resid  36 and name ca ) 
 (resid  36 and name c ) (resid  37 and name n ) 1.0   2 45  2 ! 36 2 45
assign (resid  37 and name n ) (resid  37 and name ca ) 
 (resid  37 and name c ) (resid  38 and name n ) 1.0   152 48  2 ! 37 152 48
assign (resid  38 and name n ) (resid  38 and name ca ) 
 (resid  38 and name c ) (resid  39 and name n ) 1.0   135 48  2 ! 38 135 48
assign (resid  38 and name c ) (resid  39 and name n ) 
 (resid  39 and name ca ) (resid  39 and name c ) 1.0   -127 48  2 ! 39 -127 48
assign (resid  39 and name n ) (resid  39 and name ca ) 
 (resid  39 and name c ) (resid  40 and name n ) 1.0   161 33  2 ! 39 161 33
assign (resid  39 and name c ) (resid  40 and name n ) 
 (resid  40 and name ca ) (resid  40 and name c ) 1.0   -117 126  2 ! 40 -117 126
assign (resid  40 and name n ) (resid  40 and name ca ) 
 (resid  40 and name c ) (resid  41 and name n ) 1.0   134 27  2 ! 40 134 27
assign (resid  41 and name n ) (resid  41 and name ca ) 
 (resid  41 and name c ) (resid  42 and name n ) 1.0   127 30  2 ! 41 127 30
assign (resid  42 and name n ) (resid  42 and name ca ) 
 (resid  42 and name c ) (resid  43 and name n ) 1.0   140 75  2 ! 42 140 75
!residues 44 to 49 added 02mar05 from rejected TALOS
assign (resid  44 and name n ) (resid  44 and name ca )
 (resid  44 and name c ) (resid  45 and name n ) 1.0   -14 63  2 ! 44 -14 42
assign (resid  46 and name c ) (resid  47 and name n )
 (resid  47 and name ca ) (resid  47 and name c ) 1.0   -83 36  2 ! 47 -83 36
assign (resid  47 and name n ) (resid  47 and name ca )
 (resid  47 and name c ) (resid  48 and name n ) 1.0   138 46  2 ! 47 138 46
assign (resid  47 and name c ) (resid  48 and name n )
 (resid  48 and name ca ) (resid  48 and name c ) 1.0   -86 30  2 ! 48 -86 30
assign (resid  48 and name n ) (resid  48 and name ca )
 (resid  48 and name c ) (resid  49 and name n ) 1.0   139 38  2 ! 48 139 38
assign (resid  49 and name n ) (resid  49 and name ca )
 (resid  49 and name c ) (resid  50 and name n ) 1.0   -6 42  2 ! 49 -6 42
assign (resid  53 and name c ) (resid  54 and name n ) 
 (resid  54 and name ca ) (resid  54 and name c ) 1.0   -132 30  2 ! 54 -132 30
assign (resid  54 and name n ) (resid  54 and name ca ) 
 (resid  54 and name c ) (resid  55 and name n ) 1.0   150 45  2 ! 54 150 45
assign (resid  55 and name n ) (resid  55 and name ca ) 
 (resid  55 and name c ) (resid  56 and name n ) 1.0   133 48  2 ! 55 133 48
assign (resid  57 and name n ) (resid  57 and name ca ) 
 (resid  57 and name c ) (resid  58 and name n ) 1.0   -17 81  2 ! 57 -17 81
assign (resid  60 and name n ) (resid  60 and name ca ) 
 (resid  60 and name c ) (resid  61 and name n ) 1.0   154 60  2 ! 60 154 60
assign (resid  60 and name c ) (resid  61 and name n ) 
 (resid  61 and name ca ) (resid  61 and name c ) 1.0   -85 96  2 ! 61 -85 96
assign (resid  61 and name n ) (resid  61 and name ca ) 
 (resid  61 and name c ) (resid  62 and name n ) 1.0   154 39  2 ! 61 154 39
assign (resid  61 and name c ) (resid  62 and name n ) 
 (resid  62 and name ca ) (resid  62 and name c ) 1.0   -120 51  2 ! 62 -120 51
assign (resid  62 and name n ) (resid  62 and name ca ) 
 (resid  62 and name c ) (resid  63 and name n ) 1.0   150 30  2 ! 62 150 30
assign (resid  62 and name c ) (resid  63 and name n ) 
 (resid  63 and name ca ) (resid  63 and name c ) 1.0   -119 72  2 ! 63 -119 72
!Removed 02mar04 violating
!assign (resid  63 and name n ) (resid  63 and name ca ) 
! (resid  63 and name c ) (resid  64 and name n ) 1.0   144 54  2 ! 63 144 54
assign (resid  65 and name c ) (resid  66 and name n ) 
 (resid  66 and name ca ) (resid  66 and name c ) 1.0   -132 45  2 ! 66 -132 45
!Removed 02mar04 violating
!assign (resid  66 and name n ) (resid  66 and name ca ) 
! (resid  66 and name c ) (resid  67 and name n ) 1.0   158 42  2 ! 66 158 42
assign (resid  67 and name n ) (resid  67 and name ca ) 
 (resid  67 and name c ) (resid  68 and name n ) 1.0   122 30  2 ! 67 122 30
assign (resid  70 and name n ) (resid  70 and name ca ) 
 (resid  70 and name c ) (resid  71 and name n ) 1.0   133 24  2 ! 70 133 24
assign (resid  71 and name n ) (resid  71 and name ca ) 
 (resid  71 and name c ) (resid  72 and name n ) 1.0   132 30  2 ! 71 132 30
!Error decrease from 69 to 60 on 02mar05
assign (resid  72 and name n ) (resid  72 and name ca ) 
 (resid  72 and name c ) (resid  73 and name n ) 1.0   133 60  2 ! 72 133 69
assign (resid  73 and name c ) (resid  74 and name n ) 
 (resid  74 and name ca ) (resid  74 and name c ) 1.0   -94 54  2 ! 74 -94 54
assign (resid  74 and name n ) (resid  74 and name ca ) 
 (resid  74 and name c ) (resid  75 and name n ) 1.0   -11 54  2 ! 74 -11 54
assign (resid  76 and name n ) (resid  76 and name ca ) 
 (resid  76 and name c ) (resid  77 and name n ) 1.0   139 57  2 ! 76 139 57
assign (resid  76 and name c ) (resid  77 and name n ) 
 (resid  77 and name ca ) (resid  77 and name c ) 1.0   -126 39  2 ! 77 -126 39
assign (resid  77 and name n ) (resid  77 and name ca ) 
 (resid  77 and name c ) (resid  78 and name n ) 1.0   143 33  2 ! 77 143 33
assign (resid  77 and name c ) (resid  78 and name n ) 
 (resid  78 and name ca ) (resid  78 and name c ) 1.0   -139 57  2 ! 78 -139 57
assign (resid  78 and name n ) (resid  78 and name ca ) 
 (resid  78 and name c ) (resid  79 and name n ) 1.0   140 30  2 ! 78 140 30
assign (resid  79 and name n ) (resid  79 and name ca ) 
 (resid  79 and name c ) (resid  80 and name n ) 1.0   131 24  2 ! 79 131 24
assign (resid  80 and name n ) (resid  80 and name ca ) 
 (resid  80 and name c ) (resid  81 and name n ) 1.0   143 60  2 ! 80 143 60
assign (resid  81 and name c ) (resid  82 and name n ) 
 (resid  82 and name ca ) (resid  82 and name c ) 1.0   81 27  2 ! 82 81 27
assign (resid  82 and name n ) (resid  82 and name ca ) 
 (resid  82 and name c ) (resid  83 and name n ) 1.0   1 45  2 ! 82 1 45
assign (resid  83 and name n ) (resid  83 and name ca ) 
 (resid  83 and name c ) (resid  84 and name n ) 1.0   147 27  2 ! 83 147 27
!Error decreased from 51 to 40 on 02mar05
assign (resid  84 and name n ) (resid  84 and name ca ) 
 (resid  84 and name c ) (resid  85 and name n ) 1.0   134 51  2 ! 84 134 51
assign (resid  84 and name c ) (resid  85 and name n ) 
 (resid  85 and name ca ) (resid  85 and name c ) 1.0   -133 39  2 ! 85 -133 39
assign (resid  85 and name n ) (resid  85 and name ca ) 
 (resid  85 and name c ) (resid  86 and name n ) 1.0   160 36  2 ! 85 160 36
assign (resid  85 and name c ) (resid  86 and name n ) 
 (resid  86 and name ca ) (resid  86 and name c ) 1.0   -129 90  2 ! 86 -129 90
assign (resid  86 and name n ) (resid  86 and name ca ) 
 (resid  86 and name c ) (resid  87 and name n ) 1.0   123 42  2 ! 86 123 42
!Error incresed 30 to 45 03mar05
assign (resid  86 and name c ) (resid  87 and name n ) 
 (resid  87 and name ca ) (resid  87 and name c ) 1.0   -95 45  2 ! 87 -95 30
assign (resid  87 and name n ) (resid  87 and name ca ) 
 (resid  87 and name c ) (resid  88 and name n ) 1.0   110 39  2 ! 87 110 39
assign (resid  89 and name n ) (resid  89 and name ca ) 
 (resid  89 and name c ) (resid  90 and name n ) 1.0   -37 24  2 ! 89 -37 24
assign (resid  90 and name n ) (resid  90 and name ca ) 
 (resid  90 and name c ) (resid  91 and name n ) 1.0   -9 60  2 ! 90 -9 60
assign (resid  97 and name c ) (resid  98 and name n ) 
 (resid  98 and name ca ) (resid  98 and name c ) 1.0   -88 69  2 ! 98 -88 69
assign (resid  98 and name n ) (resid  98 and name ca ) 
 (resid  98 and name c ) (resid  99 and name n ) 1.0   134 30  2 ! 98 134 30
assign (resid  98 and name c ) (resid  99 and name n ) 
 (resid  99 and name ca ) (resid  99 and name c ) 1.0   -107 90  2 ! 99 -107 90
assign (resid  99 and name n ) (resid  99 and name ca ) 
 (resid  99 and name c ) (resid  100 and name n ) 1.0   120 51  2 ! 99 120 51

!
! Hydrogen bonds added 19 May 04
!
assign (resid   11  and name HN   )(resid    6  and name O    )   2.3 0.5 0.2
assign (resid   11  and name N    )(resid    6  and name O    )   3.3 0.8 0.2

!Removed 10mar05
!assign (resid   12  and name HN   )(resid   38  and name O    )   2.3 0.5 0.2
!assign (resid   12  and name N    )(resid   38  and name O    )   3.3 0.8 0.2

!Removed 10mar05
!assign (resid   38  and name HN   )(resid   12  and name O    )   2.3 0.5 0.2
!assign (resid   38  and name N    )(resid   12  and name O    )   3.3 0.8 0.2

assign (resid   34  and name HN   )(resid   37  and name O    )   2.3 0.5 0.2
assign (resid   34  and name N    )(resid   37  and name O    )   3.3 0.8 0.2

assign (resid   32  and name HN   )(resid   39  and name O    )   2.3 0.5 0.2
assign (resid   32  and name N    )(resid   39  and name O    )   3.3 0.8 0.2

assign (resid   39  and name HN   )(resid   32  and name O    )   2.3 0.5 0.2
assign (resid   39  and name N    )(resid   32  and name O    )   3.3 0.8 0.2

!01feb05 removed
!assign (resid   33  and name HN   )(resid   21  and name O    )   2.3 0.5 0.2
!assign (resid   33  and name N    )(resid   21  and name O    )   3.3 0.8 0.2

!Changed from 23 to 24 on 10mar05
assign (resid   24  and name HN   )(resid   31  and name O    )   2.3 0.5 0.2
assign (resid   24  and name N    )(resid   31  and name O    )   3.3 0.8 0.2

assign (resid   26  and name HN   )(resid   29  and name O    )   2.3 0.5 0.2
assign (resid   26  and name N    )(resid   29  and name O    )   3.3 0.8 0.2

!01feb05 removed
!assign (resid   60  and name HN   )(resid   55  and name O    )   2.3 0.5 0.2
!assign (resid   60  and name N    )(resid   55  and name O    )   3.3 0.8 0.2

!Removed 10mar05
!assign (resid   84  and name HN   )(resid   61  and name O    )   2.3 0.5 0.2
!assign (resid   84  and name N    )(resid   61  and name O    )   3.3 0.8 0.2

!Added 10mar05
assign (resid   70  and name HN   )(resid   77  and name O    )   2.3 0.5 0.2
assign (resid   70  and name N    )(resid   77  and name O    )   3.3 0.8 0.2

!Added 10mar05
assign (resid   77  and name HN   )(resid   70  and name O    )   2.3 0.5 0.2
assign (resid   77  and name N    )(resid   70  and name O    )   3.3 0.8 0.2

assign (resid   72  and name HN   )(resid   75  and name O    )   2.3 0.5 0.2
assign (resid   72  and name N    )(resid   75  and name O    )   3.3 0.8 0.2

assign (resid   85  and name HN   )(resid   78  and name O    )   2.3 0.5 0.2
assign (resid   85  and name N    )(resid   78  and name O    )   3.3 0.8 0.2

assign (resid   78  and name HN   )(resid   85  and name O    )   2.3 0.5 0.2
assign (resid   78  and name N    )(resid   85  and name O    )   3.3 0.8 0.2

!01feb05 removed
!assign (resid   79  and name HN   )(resid   67  and name O    )   2.3 0.5 0.2
!assign (resid   79  and name N    )(resid   67  and name O    )   3.3 0.8 0.2

!01feb05 removed
!assign (resid   69  and name HN   )(resid   77  and name O    )   2.3 0.5 0.2
!assign (resid   69  and name N    )(resid   77  and name O    )   3.3 0.8 0.2

assign (resid   80  and name HN   )(resid   83  and name O    )   2.3 0.5 0.2
assign (resid   80  and name N    )(resid   83  and name O    )   3.3 0.8 0.2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1   5.969   5.716  -7.478
    2    H2   ALA   1           HT3      ALA   1   6.306   4.267  -6.626
    3    H3   ALA   1           HT2      ALA   1   4.693   4.639  -7.079
    4    HA   ALA   1           HA       ALA   1   5.025   5.033  -4.777
    5   1HB   ALA   1           HB2      ALA   1   6.805   6.089  -3.909
    6   2HB   ALA   1           HB3      ALA   1   6.824   7.316  -5.176
    7   3HB   ALA   1           HB1      ALA   1   7.554   5.738  -5.466
    8    H    MET   2           HN       MET   2   3.079   5.643  -6.468
    9    HA   MET   2           HA       MET   2   2.057   8.090  -5.464
   10   1HB   MET   2           HB2      MET   2   3.644   8.928  -7.223
   11   2HB   MET   2           HB1      MET   2   2.663   8.101  -8.423
   12   1HG   MET   2           HG2      MET   2   1.010   9.631  -8.333
   13   2HG   MET   2           HG1      MET   2   1.231   9.930  -6.610
   14   1HE   MET   2           HE2      MET   2   3.210  11.114  -5.631
   15   2HE   MET   2           HE1      MET   2   4.587  10.767  -6.678
   16   3HE   MET   2           HE3      MET   2   4.084  12.436  -6.407
   17    H    ALA   3           HN       ALA   3   0.350   6.709  -4.908
   18    HA   ALA   3           HA       ALA   3  -1.637   6.389  -6.978
   19   1HB   ALA   3           HB1      ALA   3  -1.664   4.148  -7.215
   20   2HB   ALA   3           HB2      ALA   3  -1.210   3.858  -5.535
   21   3HB   ALA   3           HB3      ALA   3   0.024   4.282  -6.722
   22    H    CYS   4           HN       CYS   4  -1.346   7.844  -4.478
   23    HA   CYS   4           HA       CYS   4  -2.843   6.601  -2.422
   24   1HB   CYS   4           HB2      CYS   4  -3.009   8.892  -1.473
   25   2HB   CYS   4           HB1      CYS   4  -1.362   8.441  -1.904
   26    H    TRP   5           HN       TRP   5  -4.986   6.865  -1.802
   27    HA   TRP   5           HA       TRP   5  -6.834   7.290  -3.967
   28   1HB   TRP   5           HB2      TRP   5  -8.557   6.777  -2.166
   29   2HB   TRP   5           HB1      TRP   5  -7.388   5.504  -2.504
   30    HD1  TRP   5           HD1      TRP   5  -6.078   4.589  -0.490
   31    HE1  TRP   5           HE1      TRP   5  -5.814   5.249   1.985
   32    HE3  TRP   5           HE3      TRP   5  -8.561   9.018  -0.606
   33    HZ2  TRP   5           HZ2      TRP   5  -6.586   7.391   3.666
   34    HZ3  TRP   5           HZ3      TRP   5  -8.771  10.325   1.469
   35    HH2  TRP   5           HH2      TRP   5  -7.802   9.526   3.563
   36    H    ALA   6           HN       ALA   6  -5.409   9.270  -1.617
   37    HA   ALA   6           HA       ALA   6  -7.579  11.081  -1.196
   38   1HB   ALA   6           HB3      ALA   6  -4.653  11.673  -0.814
   39   2HB   ALA   6           HB2      ALA   6  -6.030  12.430  -0.012
   40   3HB   ALA   6           HB1      ALA   6  -5.614  10.754   0.345
   41    H    GLN   7           HN       GLN   7  -4.948  10.835  -3.504
   42    HA   GLN   7           HA       GLN   7  -5.084  13.456  -4.531
   43   1HB   GLN   7           HB2      GLN   7  -3.891  12.561  -6.480
   44   2HB   GLN   7           HB1      GLN   7  -3.177  12.002  -4.974
   45   1HG   GLN   7           HG2      GLN   7  -3.356   9.919  -5.680
   46   2HG   GLN   7           HG1      GLN   7  -5.110  10.095  -5.724
   47   1HE2  GLN   7          1HE2      GLN   7  -2.160  10.405  -7.590
   48   2HE2  GLN   7          2HE2      GLN   7  -2.902  10.265  -9.144
   49    H    SER   8           HN       SER   8  -6.990  10.600  -5.107
   50    HA   SER   8           HA       SER   8  -8.154  11.208  -7.555
   51   1HB   SER   8           HB2      SER   8  -8.444   9.182  -5.788
   52   2HB   SER   8           HB1      SER   8  -9.952  10.049  -5.503
   53    HG   SER   8           HG       SER   8  -9.675   8.348  -7.322
   54    H    GLN   9           HN       GLN   9  -8.627  12.647  -4.445
   55    HA   GLN   9           HA       GLN   9 -11.025  14.062  -5.339
   56   1HB   GLN   9           HB2      GLN   9  -9.716  14.274  -2.633
   57   2HB   GLN   9           HB1      GLN   9 -11.368  14.685  -3.072
   58   1HG   GLN   9           HG2      GLN   9 -11.585  12.175  -3.649
   59   2HG   GLN   9           HG1      GLN   9 -10.138  11.995  -2.657
   60   1HE2  GLN   9          1HE2      GLN   9 -10.343  11.941  -0.510
   61   2HE2  GLN   9          2HE2      GLN   9 -11.813  12.217   0.355
   62    H    GLY  10           HN       GLY  10  -7.641  14.554  -4.644
   63   1HA   GLY  10           HA1      GLY  10  -7.944  17.459  -4.907
   64   2HA   GLY  10           HA2      GLY  10  -6.982  16.619  -6.113
   65    H    TYR  11           HN       TYR  11  -6.946  15.460  -2.846
   66    HA   TYR  11           HA       TYR  11  -4.826  17.031  -1.849
   67   1HB   TYR  11           HB2      TYR  11  -6.143  14.479  -1.071
   68   2HB   TYR  11           HB1      TYR  11  -4.553  14.800  -0.391
   69    HD1  TYR  11           HD1      TYR  11  -8.068  15.706  -0.363
   70    HD2  TYR  11           HD2      TYR  11  -4.206  16.772   1.076
   71    HE1  TYR  11           HE1      TYR  11  -9.104  17.131   1.349
   72    HE2  TYR  11           HE2      TYR  11  -5.234  18.199   2.791
   73    HH   TYR  11           HH       TYR  11  -8.568  19.005   2.759
   74    H    ASN  12           HN       ASN  12  -2.849  15.438  -0.950
   75    HA   ASN  12           HA       ASN  12  -1.648  14.299  -3.388
   76   1HB   ASN  12           HB2      ASN  12  -0.638  16.476  -2.839
   77   2HB   ASN  12           HB1      ASN  12  -0.251  15.892  -1.224
   78   1HD2  ASN  12          1HD2      ASN  12   1.932  16.089  -1.392
   79   2HD2  ASN  12          2HD2      ASN  12   2.899  15.129  -2.454
   80    H    CYS  13           HN       CYS  13   0.106  12.721  -2.946
   81    HA   CYS  13           HA       CYS  13  -0.748  10.859  -0.927
   82   1HB   CYS  13           HB2      CYS  13   1.700  10.592  -2.661
   83   2HB   CYS  13           HB1      CYS  13   0.727   9.315  -1.940
   84    H    CYS  14           HN       CYS  14   0.405  10.143   0.845
   85    HA   CYS  14           HA       CYS  14   2.480  11.988   1.793
   86   1HB   CYS  14           HB2      CYS  14   0.270  10.682   3.041
   87   2HB   CYS  14           HB1      CYS  14   1.752  10.102   3.790
   88    H    ASN  15           HN       ASN  15   4.457  11.321   1.234
   89    HA   ASN  15           HA       ASN  15   5.273   8.784   0.557
   90   1HB   ASN  15           HB2      ASN  15   7.385   9.668   0.459
   91   2HB   ASN  15           HB1      ASN  15   6.443  11.150   0.507
   92   1HD2  ASN  15          1HD2      ASN  15   5.796  11.038   3.280
   93   2HD2  ASN  15          2HD2      ASN  15   7.246  11.368   4.159
   94    H    ASN  16           HN       ASN  16   6.429   7.131   1.682
   95    HA   ASN  16           HA       ASN  16   6.574   5.610   3.379
   96   1HB   ASN  16           HB2      ASN  16   7.070   8.034   5.113
   97   2HB   ASN  16           HB1      ASN  16   7.625   6.388   5.400
   98   1HD2  ASN  16          1HD2      ASN  16   8.417   9.373   4.167
   99   2HD2  ASN  16          2HD2      ASN  16   9.833   8.932   3.281
  100    HA   PRO  17           HA       PRO  17   2.234   6.975   4.849
  101   1HB   PRO  17           HB2      PRO  17   0.954   4.861   3.619
  102   2HB   PRO  17           HB1      PRO  17   1.091   6.486   2.941
  103   1HG   PRO  17           HG2      PRO  17   2.721   4.048   2.367
  104   2HG   PRO  17           HG1      PRO  17   2.124   5.288   1.249
  105   1HD   PRO  17           HD2      PRO  17   4.677   5.249   2.076
  106   2HD   PRO  17           HD1      PRO  17   3.811   6.775   1.798
  107    H    SER  18           HN       SER  18   4.222   4.155   4.862
  108    HA   SER  18           HA       SER  18   2.608   2.673   6.728
  109   1HB   SER  18           HB2      SER  18   4.477   1.898   4.955
  110   2HB   SER  18           HB1      SER  18   5.479   1.999   6.402
  111    HG   SER  18           HG       SER  18   3.387   0.269   5.796
  112    H    SER  19           HN       SER  19   4.331   5.418   7.130
  113    HA   SER  19           HA       SER  19   4.686   4.896   9.972
  114   1HB   SER  19           HB2      SER  19   6.887   4.466   8.742
  115   2HB   SER  19           HB1      SER  19   6.917   6.197   8.410
  116    HG   SER  19           HG       SER  19   7.187   4.839  10.844
  117    H    THR  20           HN       THR  20   2.854   6.474   8.291
  118    HA   THR  20           HA       THR  20   3.582   9.217   8.954
  119    HB   THR  20           HB       THR  20   1.575   7.927   7.137
  120    HG1  THR  20           HG1      THR  20   3.393   8.435   6.087
  121   1HG2  THR  20          2HG2      THR  20   1.506  10.812   7.964
  122   2HG2  THR  20          1HG2      THR  20   0.613  10.100   6.621
  123   3HG2  THR  20          3HG2      THR  20   0.267   9.597   8.274
  124    H    LYS  21           HN       LYS  21   2.286  10.536  10.249
  125    HA   LYS  21           HA       LYS  21   0.699   9.093  12.217
  126   1HB   LYS  21           HB2      LYS  21   2.358  10.675  13.041
  127   2HB   LYS  21           HB1      LYS  21   1.617  11.973  12.114
  128   1HG   LYS  21           HG2      LYS  21   0.852  12.313  14.284
  129   2HG   LYS  21           HG1      LYS  21  -0.492  11.497  13.482
  130   1HD   LYS  21           HD2      LYS  21   0.201   9.373  14.451
  131   2HD   LYS  21           HD1      LYS  21   1.581  10.160  15.220
  132   1HE   LYS  21           HE2      LYS  21  -1.280  10.945  15.735
  133   2HE   LYS  21           HE1      LYS  21  -0.409   9.761  16.709
  134   1HZ   LYS  21           HZ3      LYS  21   0.924  12.312  16.313
  135   2HZ   LYS  21           HZ2      LYS  21  -0.470  12.354  17.269
  136   3HZ   LYS  21           HZ1      LYS  21   0.819  11.347  17.699
  137    H    VAL  22           HN       VAL  22  -1.401   8.821  11.822
  138    HA   VAL  22           HA       VAL  22  -2.836  10.681  10.135
  139    HB   VAL  22           HB       VAL  22  -3.715   8.073  11.389
  140   1HG1  VAL  22          2HG1      VAL  22  -5.539   9.726  10.883
  141   2HG1  VAL  22          1HG1      VAL  22  -5.075   9.607   9.186
  142   3HG1  VAL  22          3HG1      VAL  22  -5.668   8.183  10.041
  143   1HG2  VAL  22          1HG2      VAL  22  -1.876   8.211   9.511
  144   2HG2  VAL  22          3HG2      VAL  22  -3.135   6.977   9.470
  145   3HG2  VAL  22          2HG2      VAL  22  -3.283   8.421   8.469
  146    H    GLU  23           HN       GLU  23  -3.179  12.477  11.356
  147    HA   GLU  23           HA       GLU  23  -4.324  12.220  14.019
  148   1HB   GLU  23           HB2      GLU  23  -4.392  14.881  13.567
  149   2HB   GLU  23           HB1      GLU  23  -2.982  14.044  14.197
  150   1HG   GLU  23           HG2      GLU  23  -1.883  14.102  12.137
  151   2HG   GLU  23           HG1      GLU  23  -3.367  14.461  11.256
  152    H    TYR  24           HN       TYR  24  -5.461  11.968  10.995
  153    HA   TYR  24           HA       TYR  24  -8.120  12.924  11.817
  154   1HB   TYR  24           HB2      TYR  24  -6.928  14.572  10.268
  155   2HB   TYR  24           HB1      TYR  24  -7.122  13.355   9.011
  156    HD1  TYR  24           HD1      TYR  24  -8.633  16.100  10.678
  157    HD2  TYR  24           HD2      TYR  24  -9.529  12.514   8.571
  158    HE1  TYR  24           HE1      TYR  24 -10.903  16.937  10.229
  159    HE2  TYR  24           HE2      TYR  24 -11.802  13.339   8.116
  160    HH   TYR  24           HH       TYR  24 -12.912  15.670   7.946
  161    H    THR  25           HN       THR  25  -9.852  11.748  11.076
  162    HA   THR  25           HA       THR  25  -9.593   9.764   9.040
  163    HB   THR  25           HB       THR  25 -10.067   8.710  11.827
  164    HG1  THR  25           HG1      THR  25  -7.694   8.574  10.279
  165   1HG2  THR  25          3HG2      THR  25 -10.434   7.581   9.264
  166   2HG2  THR  25          2HG2      THR  25  -9.044   6.789  10.010
  167   3HG2  THR  25          1HG2      THR  25 -10.599   6.809  10.842
  168    H    ASP  26           HN       ASP  26 -11.504   9.422   8.133
  169    HA   ASP  26           HA       ASP  26 -13.959   9.573   9.657
  170   1HB   ASP  26           HB2      ASP  26 -13.111  11.936   8.672
  171   2HB   ASP  26           HB1      ASP  26 -13.975  11.330   7.262
  172    H    ALA  27           HN       ALA  27 -15.482  10.038   7.112
  173    HA   ALA  27           HA       ALA  27 -15.409   7.288   6.208
  174   1HB   ALA  27           HB3      ALA  27 -17.598   7.921   6.422
  175   2HB   ALA  27           HB2      ALA  27 -17.289   9.573   5.890
  176   3HB   ALA  27           HB1      ALA  27 -17.346   8.263   4.711
  177    H    SER  28           HN       SER  28 -13.494   9.724   5.452
  178    HA   SER  28           HA       SER  28 -13.546   9.271   2.552
  179   1HB   SER  28           HB2      SER  28 -11.898  11.354   3.983
  180   2HB   SER  28           HB1      SER  28 -12.369  11.311   2.284
  181    HG   SER  28           HG       SER  28 -13.766  12.714   3.172
  182    H    GLY  29           HN       GLY  29 -11.760   8.710   5.451
  183   1HA   GLY  29           HA1      GLY  29  -9.489   7.672   3.884
  184   2HA   GLY  29           HA2      GLY  29 -10.268   6.689   5.116
  185    H    GLN  30           HN       GLN  30  -7.599   7.111   5.297
  186    HA   GLN  30           HA       GLN  30  -7.426   8.668   7.755
  187   1HB   GLN  30           HB2      GLN  30  -5.372   6.839   6.501
  188   2HB   GLN  30           HB1      GLN  30  -5.325   7.505   8.126
  189   1HG   GLN  30           HG2      GLN  30  -7.001   6.111   8.890
  190   2HG   GLN  30           HG1      GLN  30  -7.626   5.809   7.270
  191   1HE2  GLN  30          1HE2      GLN  30  -4.291   5.639   8.398
  192   2HE2  GLN  30          2HE2      GLN  30  -4.078   3.954   8.080
  193    H    TRP  31           HN       TRP  31  -6.309  10.521   7.967
  194    HA   TRP  31           HA       TRP  31  -4.578  11.366   5.742
  195   1HB   TRP  31           HB2      TRP  31  -6.296  13.323   7.250
  196   2HB   TRP  31           HB1      TRP  31  -5.480  13.542   5.707
  197    HD1  TRP  31           HD1      TRP  31  -8.409  11.439   7.148
  198    HE1  TRP  31           HE1      TRP  31 -10.171  11.171   5.292
  199    HE3  TRP  31           HE3      TRP  31  -5.940  13.796   3.343
  200    HZ2  TRP  31           HZ2      TRP  31 -10.472  11.871   2.570
  201    HZ3  TRP  31           HZ3      TRP  31  -7.034  13.952   1.145
  202    HH2  TRP  31           HH2      TRP  31  -9.254  13.010   0.769
  203    H    GLY  32           HN       GLY  32  -2.882  12.817   6.303
  204   1HA   GLY  32           HA1      GLY  32  -1.418  12.211   8.532
  205   2HA   GLY  32           HA2      GLY  32  -2.425  13.559   9.038
  206    H    VAL  33           HN       VAL  33  -0.480  14.776   9.352
  207    HA   VAL  33           HA       VAL  33   0.397  16.058   6.879
  208    HB   VAL  33           HB       VAL  33   0.801  16.868   9.762
  209   1HG1  VAL  33          3HG1      VAL  33   2.235  17.660   7.419
  210   2HG1  VAL  33          2HG1      VAL  33   1.284  19.027   8.004
  211   3HG1  VAL  33          1HG1      VAL  33   2.425  18.222   9.080
  212   1HG2  VAL  33          2HG2      VAL  33  -1.085  17.751   7.604
  213   2HG2  VAL  33          1HG2      VAL  33  -1.446  17.249   9.256
  214   3HG2  VAL  33          3HG2      VAL  33  -0.673  18.806   8.956
  215    H    GLN  34           HN       GLN  34   2.124  15.207   5.935
  216    HA   GLN  34           HA       GLN  34   4.348  14.321   7.652
  217   1HB   GLN  34           HB2      GLN  34   3.160  12.569   6.207
  218   2HB   GLN  34           HB1      GLN  34   3.895  13.377   4.827
  219   1HG   GLN  34           HG2      GLN  34   5.728  12.189   5.131
  220   2HG   GLN  34           HG1      GLN  34   5.945  12.949   6.706
  221   1HE2  GLN  34          1HE2      GLN  34   5.932  10.083   5.280
  222   2HE2  GLN  34          2HE2      GLN  34   5.319   9.081   6.548
  223    H    ASN  35           HN       ASN  35   6.317  15.184   7.320
  224    HA   ASN  35           HA       ASN  35   7.831  16.757   6.699
  225   1HB   ASN  35           HB2      ASN  35   8.552  16.651   4.448
  226   2HB   ASN  35           HB1      ASN  35   7.892  15.059   4.804
  227   1HD2  ASN  35          1HD2      ASN  35   6.196  14.316   3.658
  228   2HD2  ASN  35          2HD2      ASN  35   5.438  15.182   2.369
  229    H    GLY  36           HN       GLY  36   5.103  17.691   7.228
  230   1HA   GLY  36           HA1      GLY  36   5.456  20.391   6.367
  231   2HA   GLY  36           HA2      GLY  36   4.103  19.765   7.296
  232    H    GLN  37           HN       GLN  37   3.115  17.852   5.528
  233    HA   GLN  37           HA       GLN  37   1.762  19.579   3.651
  234   1HB   GLN  37           HB2      GLN  37   3.298  17.200   2.596
  235   2HB   GLN  37           HB1      GLN  37   2.307  18.310   1.659
  236   1HG   GLN  37           HG2      GLN  37   3.875  20.138   2.321
  237   2HG   GLN  37           HG1      GLN  37   4.911  18.904   3.039
  238   1HE2  GLN  37          1HE2      GLN  37   3.078  19.178   0.009
  239   2HE2  GLN  37          2HE2      GLN  37   4.407  18.797  -1.028
  240    H    TRP  38           HN       TRP  38  -0.294  18.941   3.354
  241    HA   TRP  38           HA       TRP  38  -1.333  16.754   4.837
  242   1HB   TRP  38           HB2      TRP  38  -2.444  18.782   2.955
  243   2HB   TRP  38           HB1      TRP  38  -3.399  17.335   3.251
  244    HD1  TRP  38           HD1      TRP  38  -3.562  20.624   4.313
  245    HE1  TRP  38           HE1      TRP  38  -4.325  20.910   6.756
  246    HE3  TRP  38           HE3      TRP  38  -2.696  15.874   5.996
  247    HZ2  TRP  38           HZ2      TRP  38  -4.533  19.331   9.085
  248    HZ3  TRP  38           HZ3      TRP  38  -3.207  15.345   8.347
  249    HH2  TRP  38           HH2      TRP  38  -4.106  17.039   9.856
  250    H    CYS  39           HN       CYS  39  -1.957  14.732   4.199
  251    HA   CYS  39           HA       CYS  39  -2.314  13.928   1.530
  252   1HB   CYS  39           HB2      CYS  39  -0.184  12.286   1.793
  253   2HB   CYS  39           HB1      CYS  39  -0.144  13.800   0.905
  254    H    GLY  40           HN       GLY  40  -3.229  11.932   1.385
  255   1HA   GLY  40           HA1      GLY  40  -4.431  10.135   2.177
  256   2HA   GLY  40           HA2      GLY  40  -4.181  10.758   3.802
  257    H    ILE  41           HN       ILE  41  -3.947   8.487   4.384
  258    HA   ILE  41           HA       ILE  41  -1.159   7.653   4.100
  259    HB   ILE  41           HB       ILE  41  -3.280   7.143   6.141
  260   1HG1  ILE  41          2HG1      ILE  41  -1.289   7.597   7.637
  261   2HG1  ILE  41          1HG1      ILE  41  -0.378   7.962   6.175
  262   1HG2  ILE  41          2HG2      ILE  41  -0.998   5.302   5.520
  263   2HG2  ILE  41          1HG2      ILE  41  -1.657   5.440   7.151
  264   3HG2  ILE  41          3HG2      ILE  41  -2.691   4.910   5.825
  265   1HD1  ILE  41          3HD1      ILE  41  -2.945   9.367   6.508
  266   2HD1  ILE  41          2HD1      ILE  41  -1.643   9.812   7.610
  267   3HD1  ILE  41          1HD1      ILE  41  -1.406   9.940   5.867
  268    H    ASP  42           HN       ASP  42  -0.975   6.536   2.245
  269    HA   ASP  42           HA       ASP  42  -2.762   4.226   1.846
  270   1HB   ASP  42           HB2      ASP  42  -1.385   6.051  -0.106
  271   2HB   ASP  42           HB1      ASP  42  -1.873   4.427  -0.582
  272    H    TYR  43           HN       TYR  43  -1.607   2.648   2.908
  273    HA   TYR  43           HA       TYR  43   1.195   2.371   2.827
  274   1HB   TYR  43           HB2      TYR  43  -0.707   0.067   3.209
  275   2HB   TYR  43           HB1      TYR  43   0.904   0.275   3.886
  276    HD1  TYR  43           HD1      TYR  43   0.802   2.960   5.021
  277    HD2  TYR  43           HD2      TYR  43  -2.166  -0.089   5.000
  278    HE1  TYR  43           HE1      TYR  43  -0.179   3.907   7.070
  279    HE2  TYR  43           HE2      TYR  43  -3.153   0.848   7.047
  280    HH   TYR  43           HH       TYR  43  -1.754   2.684   9.089
  281    H    SER  44           HN       SER  44  -1.185   1.668   0.476
  282    HA   SER  44           HA       SER  44   0.817   0.206  -1.110
  283   1HB   SER  44           HB2      SER  44  -2.035  -0.477  -0.566
  284   2HB   SER  44           HB1      SER  44  -1.392  -0.825  -2.171
  285    HG   SER  44           HG       SER  44  -1.040  -2.191   0.091
  286    H    TYR  45           HN       TYR  45   0.746   2.878  -1.364
  287    HA   TYR  45           HA       TYR  45  -1.073   3.598  -3.505
  288   1HB   TYR  45           HB2      TYR  45  -0.588   5.792  -3.042
  289   2HB   TYR  45           HB1      TYR  45  -0.223   5.070  -1.484
  290    HD1  TYR  45           HD1      TYR  45   2.435   3.811  -2.381
  291    HD2  TYR  45           HD2      TYR  45   0.804   7.713  -2.798
  292    HE1  TYR  45           HE1      TYR  45   4.701   4.735  -2.491
  293    HE2  TYR  45           HE2      TYR  45   3.070   8.658  -2.900
  294    HH   TYR  45           HH       TYR  45   5.343   8.077  -2.227
  295    H    GLY  46           HN       GLY  46   0.975   1.555  -4.012
  296   1HA   GLY  46           HA1      GLY  46   2.022   2.726  -6.456
  297   2HA   GLY  46           HA2      GLY  46   2.029   1.022  -6.031
  298    H    GLN  47           HN       GLN  47   3.458   0.586  -3.996
  299    HA   GLN  47           HA       GLN  47   5.904   2.199  -4.138
  300   1HB   GLN  47           HB2      GLN  47   5.002   0.178  -2.078
  301   2HB   GLN  47           HB1      GLN  47   6.523   1.057  -2.022
  302   1HG   GLN  47           HG2      GLN  47   4.246   2.824  -2.322
  303   2HG   GLN  47           HG1      GLN  47   4.135   1.822  -0.876
  304   1HE2  GLN  47          1HE2      GLN  47   4.703   3.076   0.760
  305   2HE2  GLN  47          2HE2      GLN  47   6.133   4.042   0.843
  306    H    ASN  48           HN       ASN  48   7.859   0.570  -3.403
  307    HA   ASN  48           HA       ASN  48   8.148  -1.166  -5.697
  308   1HB   ASN  48           HB2      ASN  48  10.112  -0.646  -3.457
  309   2HB   ASN  48           HB1      ASN  48  10.467  -1.366  -5.024
  310   1HD2  ASN  48          1HD2      ASN  48  12.004   0.642  -4.438
  311   2HD2  ASN  48          2HD2      ASN  48  11.556   2.089  -5.269
  312    H    GLN  49           HN       GLN  49   8.824  -3.378  -5.561
  313    HA   GLN  49           HA       GLN  49   7.487  -4.789  -3.401
  314   1HB   GLN  49           HB2      GLN  49   6.820  -5.851  -5.294
  315   2HB   GLN  49           HB1      GLN  49   8.260  -5.394  -6.193
  316   1HG   GLN  49           HG2      GLN  49   8.327  -7.533  -4.091
  317   2HG   GLN  49           HG1      GLN  49   7.826  -7.870  -5.744
  318   1HE2  GLN  49          1HE2      GLN  49   9.437  -6.694  -7.359
  319   2HE2  GLN  49          2HE2      GLN  49  11.097  -7.085  -7.081
  320    H    GLY  50           HN       GLY  50  10.359  -3.449  -3.539
  321   1HA   GLY  50           HA1      GLY  50  12.338  -3.777  -2.437
  322   2HA   GLY  50           HA2      GLY  50  12.290  -5.404  -3.100
  323    H    ASN  51           HN       ASN  51   9.617  -4.567  -1.141
  324    HA   ASN  51           HA       ASN  51   8.844  -5.688   0.714
  325   1HB   ASN  51           HB2      ASN  51  10.760  -7.402   0.092
  326   2HB   ASN  51           HB1      ASN  51  11.552  -6.679   1.489
  327   1HD2  ASN  51          1HD2      ASN  51  11.419  -8.675   2.567
  328   2HD2  ASN  51          2HD2      ASN  51   9.936  -9.219   3.269
  329    H    GLU  52           HN       GLU  52   9.375  -3.065   0.724
  330    HA   GLU  52           HA       GLU  52  11.096  -2.325   2.908
  331   1HB   GLU  52           HB2      GLU  52   8.998  -0.619   1.567
  332   2HB   GLU  52           HB1      GLU  52  10.396  -0.071   2.482
  333   1HG   GLU  52           HG2      GLU  52  11.856  -1.059   0.739
  334   2HG   GLU  52           HG1      GLU  52  10.412  -1.442  -0.196
  335    H    SER  53           HN       SER  53   7.757  -3.131   2.463
  336    HA   SER  53           HA       SER  53   7.335  -3.112   5.321
  337   1HB   SER  53           HB2      SER  53   6.752  -0.770   4.342
  338   2HB   SER  53           HB1      SER  53   5.331  -1.580   3.684
  339    HG   SER  53           HG       SER  53   5.354  -0.562   5.956
  340    H    CYS  54           HN       CYS  54   4.603  -3.430   5.380
  341    HA   CYS  54           HA       CYS  54   3.861  -5.439   3.428
  342   1HB   CYS  54           HB2      CYS  54   4.020  -7.290   4.721
  343   2HB   CYS  54           HB1      CYS  54   5.169  -6.339   5.650
  344    H    THR  55           HN       THR  55   1.591  -6.297   3.950
  345    HA   THR  55           HA       THR  55  -0.047  -3.996   4.654
  346    HB   THR  55           HB       THR  55  -0.770  -6.678   3.453
  347    HG1  THR  55           HG1      THR  55  -0.805  -5.632   1.576
  348   1HG2  THR  55          2HG2      THR  55  -2.509  -4.315   4.091
  349   2HG2  THR  55          1HG2      THR  55  -2.942  -5.533   2.886
  350   3HG2  THR  55          3HG2      THR  55  -2.726  -5.996   4.576
  351    H    GLY  56           HN       GLY  56  -1.996  -4.358   6.012
  352   1HA   GLY  56           HA1      GLY  56  -2.048  -6.589   7.798
  353   2HA   GLY  56           HA2      GLY  56  -3.039  -5.142   7.911
  354    H    ASN  57           HN       ASN  57  -0.300  -3.661   7.765
  355    HA   ASN  57           HA       ASN  57   0.875  -4.276  10.318
  356   1HB   ASN  57           HB2      ASN  57   1.426  -2.384   8.096
  357   2HB   ASN  57           HB1      ASN  57   1.991  -1.911   9.695
  358   1HD2  ASN  57          1HD2      ASN  57   3.015  -3.221   6.977
  359   2HD2  ASN  57          2HD2      ASN  57   4.212  -4.319   7.564
  360    H    GLY  58           HN       GLY  58  -1.964  -2.853   9.578
  361   1HA   GLY  58           HA1      GLY  58  -3.074  -0.941  10.439
  362   2HA   GLY  58           HA2      GLY  58  -1.742  -0.703  11.559
  363    H    SER  59           HN       SER  59  -2.363  -3.926  11.699
  364    HA   SER  59           HA       SER  59  -3.705  -3.657  14.222
  365   1HB   SER  59           HB2      SER  59  -5.146  -5.145  12.019
  366   2HB   SER  59           HB1      SER  59  -5.690  -4.940  13.684
  367    HG   SER  59           HG       SER  59  -6.382  -3.429  11.787
  368    H    TYR  60           HN       TYR  60  -3.396  -6.208  11.742
  369    HA   TYR  60           HA       TYR  60  -2.387  -8.021  13.796
  370   1HB   TYR  60           HB2      TYR  60  -2.609  -9.129  11.102
  371   2HB   TYR  60           HB1      TYR  60  -3.320  -9.689  12.609
  372    HD1  TYR  60           HD1      TYR  60  -3.808  -7.568   9.658
  373    HD2  TYR  60           HD2      TYR  60  -5.569  -9.058  13.232
  374    HE1  TYR  60           HE1      TYR  60  -6.014  -6.822   8.874
  375    HE2  TYR  60           HE2      TYR  60  -7.781  -8.312  12.459
  376    HH   TYR  60           HH       TYR  60  -8.431  -7.446   9.302
  377    HA   PRO  61           HA       PRO  61   1.736  -8.170  12.157
  378   1HB   PRO  61           HB2      PRO  61   2.458 -10.725  12.199
  379   2HB   PRO  61           HB1      PRO  61   1.955  -9.918  13.690
  380   1HG   PRO  61           HG2      PRO  61   0.398 -11.769  11.920
  381   2HG   PRO  61           HG1      PRO  61   0.481 -11.721  13.692
  382   1HD   PRO  61           HD2      PRO  61  -1.533 -10.592  12.168
  383   2HD   PRO  61           HD1      PRO  61  -1.135 -10.116  13.830
  384    H    CYS  62           HN       CYS  62   3.279  -9.206  10.520
  385    HA   CYS  62           HA       CYS  62   2.040  -9.123   7.926
  386   1HB   CYS  62           HB2      CYS  62   4.907  -9.616   8.763
  387   2HB   CYS  62           HB1      CYS  62   4.374  -9.463   7.093
  388    H    CYS  63           HN       CYS  63   2.152 -10.806   6.339
  389    HA   CYS  63           HA       CYS  63   1.903 -13.448   7.537
  390   1HB   CYS  63           HB2      CYS  63   0.577 -12.088   5.440
  391   2HB   CYS  63           HB1      CYS  63   1.407 -13.458   4.712
  392    H    ASN  64           HN       ASN  64   3.419 -12.093   4.639
  393    HA   ASN  64           HA       ASN  64   5.651 -12.361   3.977
  394   1HB   ASN  64           HB2      ASN  64   6.351 -13.381   6.098
  395   2HB   ASN  64           HB1      ASN  64   5.622 -14.908   5.613
  396   1HD2  ASN  64          1HD2      ASN  64   6.627 -16.199   4.146
  397   2HD2  ASN  64          2HD2      ASN  64   8.250 -15.936   3.612
  398    H    THR  65           HN       THR  65   2.887 -13.992   3.419
  399    HA   THR  65           HA       THR  65   4.059 -15.620   1.269
  400    HB   THR  65           HB       THR  65   2.661 -16.785   2.997
  401    HG1  THR  65           HG1      THR  65   1.664 -16.798   0.342
  402   1HG2  THR  65          2HG2      THR  65   0.972 -15.079   3.385
  403   2HG2  THR  65          1HG2      THR  65   0.390 -15.274   1.732
  404   3HG2  THR  65          3HG2      THR  65   0.246 -16.605   2.880
  405    H    CYS  66           HN       CYS  66   3.392 -15.338  -0.834
  406    HA   CYS  66           HA       CYS  66   1.967 -12.849  -1.362
  407   1HB   CYS  66           HB2      CYS  66   3.199 -14.651  -3.443
  408   2HB   CYS  66           HB1      CYS  66   2.861 -12.926  -3.554
  409    H    GLN  67           HN       GLN  67   0.366 -14.812  -0.314
  410    HA   GLN  67           HA       GLN  67  -1.367 -15.462  -2.597
  411   1HB   GLN  67           HB2      GLN  67  -0.754 -17.603  -2.021
  412   2HB   GLN  67           HB1      GLN  67  -0.416 -17.175  -0.354
  413   1HG   GLN  67           HG2      GLN  67  -3.239 -16.958  -0.921
  414   2HG   GLN  67           HG1      GLN  67  -2.622 -18.553  -1.337
  415   1HE2  GLN  67          1HE2      GLN  67  -1.410 -16.442   1.206
  416   2HE2  GLN  67          2HE2      GLN  67  -1.840 -17.477   2.521
  417    H    ALA  68           HN       ALA  68  -2.569 -13.603  -2.301
  418    HA   ALA  68           HA       ALA  68  -3.698 -13.004   0.283
  419   1HB   ALA  68           HB3      ALA  68  -3.364 -11.599  -2.248
  420   2HB   ALA  68           HB2      ALA  68  -4.897 -11.275  -1.437
  421   3HB   ALA  68           HB1      ALA  68  -3.374 -10.991  -0.593
  422    H    THR  69           HN       THR  69  -5.033 -14.680   0.702
  423    HA   THR  69           HA       THR  69  -6.974 -15.742  -1.022
  424    HB   THR  69           HB       THR  69  -6.651 -17.162   0.735
  425    HG1  THR  69           HG1      THR  69  -8.733 -17.161   1.075
  426   1HG2  THR  69          1HG2      THR  69  -6.363 -14.740   2.471
  427   2HG2  THR  69          3HG2      THR  69  -6.541 -16.364   3.142
  428   3HG2  THR  69          2HG2      THR  69  -5.169 -15.984   2.096
  429    H    TYR  70           HN       TYR  70  -6.900 -12.794   0.783
  430    HA   TYR  70           HA       TYR  70  -9.497 -12.102  -0.277
  431   1HB   TYR  70           HB2      TYR  70 -10.705 -12.003   1.646
  432   2HB   TYR  70           HB1      TYR  70  -9.583 -13.265   2.132
  433    HD1  TYR  70           HD1      TYR  70  -8.519 -13.060   4.165
  434    HD2  TYR  70           HD2      TYR  70  -9.895  -9.533   2.220
  435    HE1  TYR  70           HE1      TYR  70  -7.865 -11.729   6.126
  436    HE2  TYR  70           HE2      TYR  70  -9.245  -8.195   4.175
  437    HH   TYR  70           HH       TYR  70  -7.205  -9.212   6.506
  438    H    THR  71           HN       THR  71  -9.761  -9.949  -0.596
  439    HA   THR  71           HA       THR  71  -7.590  -8.191   0.344
  440    HB   THR  71           HB       THR  71  -9.121  -8.055  -2.260
  441    HG1  THR  71           HG1      THR  71  -7.281  -8.722  -3.181
  442   1HG2  THR  71          3HG2      THR  71  -8.396  -5.837  -1.138
  443   2HG2  THR  71          2HG2      THR  71  -6.770  -6.337  -1.613
  444   3HG2  THR  71          1HG2      THR  71  -8.019  -6.119  -2.840
  445    H    ASP  72           HN       ASP  72  -8.148  -6.289   1.282
  446    HA   ASP  72           HA       ASP  72 -11.023  -5.691   1.438
  447   1HB   ASP  72           HB2      ASP  72  -9.213  -6.310   3.545
  448   2HB   ASP  72           HB1      ASP  72  -9.660  -4.615   3.708
  449    H    GLY  73           HN       GLY  73 -10.877  -3.297   2.799
  450   1HA   GLY  73           HA1      GLY  73 -10.793  -1.060   2.281
  451   2HA   GLY  73           HA2      GLY  73 -10.248  -1.511   0.674
  452    H    ASP  74           HN       ASP  74  -8.138  -2.987   2.753
  453    HA   ASP  74           HA       ASP  74  -6.353  -0.640   2.743
  454   1HB   ASP  74           HB2      ASP  74  -7.092  -2.419   4.872
  455   2HB   ASP  74           HB1      ASP  74  -5.364  -2.568   4.566
  456    H    GLY  75           HN       GLY  75  -6.916  -3.247   0.982
  457   1HA   GLY  75           HA1      GLY  75  -4.055  -3.893   0.644
  458   2HA   GLY  75           HA2      GLY  75  -5.134  -3.632  -0.720
  459    H    ASP  76           HN       ASP  76  -3.551  -5.976  -0.144
  460    HA   ASP  76           HA       ASP  76  -5.702  -7.933  -0.277
  461   1HB   ASP  76           HB2      ASP  76  -2.900  -8.865  -0.466
  462   2HB   ASP  76           HB1      ASP  76  -4.286  -9.237  -1.484
  463    H    TRP  77           HN       TRP  77  -5.278 -10.089   0.845
  464    HA   TRP  77           HA       TRP  77  -3.840  -9.902   3.350
  465   1HB   TRP  77           HB2      TRP  77  -6.826 -10.349   3.366
  466   2HB   TRP  77           HB1      TRP  77  -5.761 -10.316   4.768
  467    HD1  TRP  77           HD1      TRP  77  -7.358  -7.965   2.176
  468    HE1  TRP  77           HE1      TRP  77  -7.294  -5.573   3.105
  469    HE3  TRP  77           HE3      TRP  77  -4.546  -8.801   6.356
  470    HZ2  TRP  77           HZ2      TRP  77  -6.202  -4.219   5.314
  471    HZ3  TRP  77           HZ3      TRP  77  -4.038  -6.900   7.827
  472    HH2  TRP  77           HH2      TRP  77  -4.847  -4.653   7.315
  473    H    ALA  78           HN       ALA  78  -3.556 -11.865   4.416
  474    HA   ALA  78           HA       ALA  78  -4.569 -14.272   3.118
  475   1HB   ALA  78           HB1      ALA  78  -1.645 -13.674   3.530
  476   2HB   ALA  78           HB3      ALA  78  -2.287 -15.269   3.137
  477   3HB   ALA  78           HB2      ALA  78  -2.484 -13.937   2.002
  478    H    PHE  79           HN       PHE  79  -3.874 -16.263   4.418
  479    HA   PHE  79           HA       PHE  79  -3.761 -15.616   7.287
  480   1HB   PHE  79           HB2      PHE  79  -6.070 -16.221   6.618
  481   2HB   PHE  79           HB1      PHE  79  -5.474 -17.768   6.026
  482    HD1  PHE  79           HD1      PHE  79  -5.457 -15.691   9.123
  483    HD2  PHE  79           HD2      PHE  79  -5.585 -19.589   7.420
  484    HE1  PHE  79           HE1      PHE  79  -5.757 -16.657  11.366
  485    HE2  PHE  79           HE2      PHE  79  -5.886 -20.562   9.659
  486    HZ   PHE  79           HZ       PHE  79  -5.972 -19.095  11.636
  487    H    GLU  80           HN       GLU  80  -1.796 -16.288   7.886
  488    HA   GLU  80           HA       GLU  80  -1.082 -19.071   7.307
  489   1HB   GLU  80           HB2      GLU  80   1.041 -18.597   6.545
  490   2HB   GLU  80           HB1      GLU  80   0.128 -17.262   5.862
  491   1HG   GLU  80           HG2      GLU  80   1.923 -16.137   6.687
  492   2HG   GLU  80           HG1      GLU  80   0.849 -16.060   8.085
  493    H    ASN  81           HN       ASN  81   0.437 -20.002   8.829
  494    HA   ASN  81           HA       ASN  81   1.062 -20.505  10.959
  495   1HB   ASN  81           HB2      ASN  81   1.659 -17.628  10.640
  496   2HB   ASN  81           HB1      ASN  81   1.581 -18.202  12.303
  497   1HD2  ASN  81          1HD2      ASN  81   3.859 -17.255  10.748
  498   2HD2  ASN  81          2HD2      ASN  81   5.016 -18.538  10.766
  499    H    GLY  82           HN       GLY  82  -1.799 -19.795  10.300
  500   1HA   GLY  82           HA1      GLY  82  -2.855 -20.130  12.908
  501   2HA   GLY  82           HA2      GLY  82  -3.784 -19.826  11.448
  502    H    ASN  83           HN       ASN  83  -2.600 -17.313  10.769
  503    HA   ASN  83           HA       ASN  83  -4.038 -15.658  12.672
  504   1HB   ASN  83           HB2      ASN  83  -2.039 -14.052  12.768
  505   2HB   ASN  83           HB1      ASN  83  -1.954 -15.509  13.754
  506   1HD2  ASN  83          1HD2      ASN  83  -0.838 -13.978  10.814
  507   2HD2  ASN  83          2HD2      ASN  83   0.572 -14.956  10.612
  508    H    TRP  84           HN       TRP  84  -4.921 -13.871  11.767
  509    HA   TRP  84           HA       TRP  84  -4.908 -13.674   8.909
  510   1HB   TRP  84           HB2      TRP  84  -6.232 -12.087  11.103
  511   2HB   TRP  84           HB1      TRP  84  -6.355 -11.609   9.413
  512    HD1  TRP  84           HD1      TRP  84  -8.128 -13.592  11.913
  513    HE1  TRP  84           HE1      TRP  84  -9.827 -15.179  10.809
  514    HE3  TRP  84           HE3      TRP  84  -6.492 -13.300   7.077
  515    HZ2  TRP  84           HZ2      TRP  84 -10.399 -16.175   8.231
  516    HZ3  TRP  84           HZ3      TRP  84  -7.670 -14.601   5.353
  517    HH2  TRP  84           HH2      TRP  84  -9.583 -16.009   5.920
  518    H    CYS  85           HN       CYS  85  -2.956 -13.059   8.141
  519    HA   CYS  85           HA       CYS  85  -1.832 -10.525   9.117
  520   1HB   CYS  85           HB2      CYS  85   0.070 -11.599   7.425
  521   2HB   CYS  85           HB1      CYS  85   0.078 -11.706   9.179
  522    H    GLY  86           HN       GLY  86  -0.556  -9.351   7.291
  523   1HA   GLY  86           HA1      GLY  86  -1.441  -7.799   5.649
  524   2HA   GLY  86           HA2      GLY  86  -2.413  -9.114   5.009
  525    H    ILE  87           HN       ILE  87  -1.672  -9.103   2.928
  526    HA   ILE  87           HA       ILE  87   0.629 -10.541   2.304
  527    HB   ILE  87           HB       ILE  87  -1.456  -9.150   0.826
  528   1HG1  ILE  87          2HG1      ILE  87  -1.395 -11.081  -0.545
  529   2HG1  ILE  87          1HG1      ILE  87   0.263 -11.447  -0.090
  530   1HG2  ILE  87          1HG2      ILE  87   0.392  -7.814  -0.040
  531   2HG2  ILE  87          3HG2      ILE  87   1.256  -9.290  -0.477
  532   3HG2  ILE  87          2HG2      ILE  87  -0.262  -8.886  -1.277
  533   1HD1  ILE  87          3HD1      ILE  87  -0.967 -11.587   2.311
  534   2HD1  ILE  87          2HD1      ILE  87  -2.256 -12.110   1.232
  535   3HD1  ILE  87          1HD1      ILE  87  -0.707 -12.955   1.230
  536    H    LYS  88           HN       LYS  88   2.688 -10.053   1.895
  537    HA   LYS  88           HA       LYS  88   3.829  -7.693   2.866
  538   1HB   LYS  88           HB2      LYS  88   4.999  -9.711   0.949
  539   2HB   LYS  88           HB1      LYS  88   5.916  -8.501   1.838
  540   1HG   LYS  88           HG2      LYS  88   4.287 -10.697   3.099
  541   2HG   LYS  88           HG1      LYS  88   6.034 -10.740   2.852
  542   1HD   LYS  88           HD2      LYS  88   5.810  -8.388   4.135
  543   2HD   LYS  88           HD1      LYS  88   4.427  -9.239   4.826
  544   1HE   LYS  88           HE2      LYS  88   6.434  -9.554   6.183
  545   2HE   LYS  88           HE1      LYS  88   5.879 -11.079   5.494
  546   1HZ   LYS  88           HZ1      LYS  88   7.940  -9.490   4.112
  547   2HZ   LYS  88           HZ3      LYS  88   8.368 -10.499   5.401
  548   3HZ   LYS  88           HZ2      LYS  88   7.638 -11.151   4.023
  549    H    ASN  89           HN       ASN  89   4.909  -5.999   1.834
  550    HA   ASN  89           HA       ASN  89   3.546  -4.839  -0.347
  551   1HB   ASN  89           HB2      ASN  89   4.753  -3.574   1.431
  552   2HB   ASN  89           HB1      ASN  89   6.277  -4.128   0.748
  553   1HD2  ASN  89          1HD2      ASN  89   6.339  -1.639   0.843
  554   2HD2  ASN  89          2HD2      ASN  89   5.916  -0.839  -0.630
  555    H    SER  90           HN       SER  90   6.001  -7.171  -0.198
  556    HA   SER  90           HA       SER  90   7.139  -6.595  -2.801
  557   1HB   SER  90           HB2      SER  90   8.728  -7.405  -1.255
  558   2HB   SER  90           HB1      SER  90   7.639  -8.663  -0.670
  559    HG   SER  90           HG       SER  90   9.240  -9.519  -2.052
  560    H    CYS  91           HN       CYS  91   4.707  -8.576  -1.375
  561    HA   CYS  91           HA       CYS  91   4.509 -10.354  -3.660
  562   1HB   CYS  91           HB2      CYS  91   2.929 -10.187  -1.090
  563   2HB   CYS  91           HB1      CYS  91   2.682 -11.405  -2.334
  564    H    LYS  92           HN       LYS  92   4.083  -8.047  -4.753
  565    HA   LYS  92           HA       LYS  92   1.188  -7.973  -5.191
  566   1HB   LYS  92           HB2      LYS  92   1.515  -5.403  -5.454
  567   2HB   LYS  92           HB1      LYS  92   1.303  -6.095  -3.852
  568   1HG   LYS  92           HG2      LYS  92   3.247  -5.280  -3.188
  569   2HG   LYS  92           HG1      LYS  92   4.086  -6.066  -4.526
  570   1HD   LYS  92           HD2      LYS  92   4.541  -3.943  -5.139
  571   2HD   LYS  92           HD1      LYS  92   2.917  -4.010  -5.827
  572   1HE   LYS  92           HE2      LYS  92   2.514  -3.335  -3.164
  573   2HE   LYS  92           HE1      LYS  92   3.941  -2.412  -3.638
  574   1HZ   LYS  92           HZ2      LYS  92   2.464  -1.874  -5.707
  575   2HZ   LYS  92           HZ1      LYS  92   1.195  -2.238  -4.649
  576   3HZ   LYS  92           HZ3      LYS  92   2.284  -1.000  -4.270
  577    H    GLN  93           HN       GLN  93   4.349  -6.858  -6.321
  578    HA   GLN  93           HA       GLN  93   3.713  -7.679  -9.012
  579   1HB   GLN  93           HB2      GLN  93   4.249  -4.768  -8.395
  580   2HB   GLN  93           HB1      GLN  93   4.198  -5.462 -10.009
  581   1HG   GLN  93           HG2      GLN  93   1.824  -6.206  -9.403
  582   2HG   GLN  93           HG1      GLN  93   1.956  -5.064  -8.066
  583   1HE2  GLN  93          1HE2      GLN  93   0.182  -3.956  -9.068
  584   2HE2  GLN  93          2HE2      GLN  93   0.472  -2.874 -10.384
  585    H    GLN  94           HN       GLN  94   5.490  -8.507  -9.904
  586    HA   GLN  94           HA       GLN  94   7.974  -8.413  -8.551
  587   1HB   GLN  94           HB2      GLN  94   7.891  -9.287 -11.391
  588   2HB   GLN  94           HB1      GLN  94   8.726 -10.003 -10.025
  589   1HG   GLN  94           HG2      GLN  94   6.451 -10.708  -9.174
  590   2HG   GLN  94           HG1      GLN  94   5.826 -10.243 -10.756
  591   1HE2  GLN  94          1HE2      GLN  94   6.654 -11.345 -12.618
  592   2HE2  GLN  94          2HE2      GLN  94   7.240 -12.964 -12.475
  593    HA   PRO  95           HA       PRO  95   9.474  -5.676 -12.239
  594   1HB   PRO  95           HB2      PRO  95   7.580  -4.593 -13.836
  595   2HB   PRO  95           HB1      PRO  95   8.267  -6.196 -14.139
  596   1HG   PRO  95           HG2      PRO  95   5.714  -5.483 -12.722
  597   2HG   PRO  95           HG1      PRO  95   5.966  -6.672 -14.015
  598   1HD   PRO  95           HD2      PRO  95   5.830  -7.410 -11.463
  599   2HD   PRO  95           HD1      PRO  95   6.969  -8.189 -12.580
  600    H    GLN  96           HN       GLN  96   8.958  -4.847  -9.700
  601    HA   GLN  96           HA       GLN  96   7.289  -2.584  -9.471
  602   1HB   GLN  96           HB2      GLN  96   8.776  -2.078  -7.459
  603   2HB   GLN  96           HB1      GLN  96   7.918  -3.613  -7.451
  604   1HG   GLN  96           HG2      GLN  96   9.810  -4.751  -7.303
  605   2HG   GLN  96           HG1      GLN  96  10.497  -3.905  -8.688
  606   1HE2  GLN  96          1HE2      GLN  96  11.410  -1.752  -8.251
  607   2HE2  GLN  96          2HE2      GLN  96  12.210  -1.492  -6.741
  608    H    ASN  97           HN       ASN  97   7.631  -1.153 -11.144
  609    HA   ASN  97           HA       ASN  97   8.481   0.710 -12.110
  610   1HB   ASN  97           HB2      ASN  97   9.680   2.138 -10.822
  611   2HB   ASN  97           HB1      ASN  97   9.338   0.962  -9.562
  612   1HD2  ASN  97          1HD2      ASN  97  11.729   1.771 -12.042
  613   2HD2  ASN  97          2HD2      ASN  97  13.104   1.248 -11.135
  614    H    ASN  98           HN       ASN  98  11.198  -1.414 -11.143
  615    HA   ASN  98           HA       ASN  98  12.874  -0.842 -13.283
  616   1HB   ASN  98           HB2      ASN  98  12.555  -3.248 -11.515
  617   2HB   ASN  98           HB1      ASN  98  13.705  -3.271 -12.848
  618   1HD2  ASN  98          1HD2      ASN  98  14.676  -3.611 -10.391
  619   2HD2  ASN  98          2HD2      ASN  98  15.525  -2.205  -9.855
  620    H    ASN  99           HN       ASN  99  12.154  -0.835 -15.329
  621    HA   ASN  99           HA       ASN  99  10.585  -3.125 -16.283
  622   1HB   ASN  99           HB2      ASN  99  11.074  -0.518 -17.729
  623   2HB   ASN  99           HB1      ASN  99   9.863  -1.742 -18.102
  624   1HD2  ASN  99          1HD2      ASN  99  10.461   1.144 -16.546
  625   2HD2  ASN  99          2HD2      ASN  99   9.031   1.226 -15.579
  626    H    GLN 100           HN       GLN 100  11.903  -4.703 -16.960
  627    HA   GLN 100           HA       GLN 100  14.504  -4.375 -17.943
  628   1HB   GLN 100           HB2      GLN 100  12.508  -6.586 -17.940
  629   2HB   GLN 100           HB1      GLN 100  13.890  -6.734 -19.017
  630   1HG   GLN 100           HG2      GLN 100  14.536  -7.826 -17.063
  631   2HG   GLN 100           HG1      GLN 100  15.328  -6.254 -16.976
  632   1HE2  GLN 100          1HE2      GLN 100  12.082  -7.461 -16.193
  633   2HE2  GLN 100          2HE2      GLN 100  12.052  -6.836 -14.583

  No H/Q in entry =         633
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1   6.180   5.194  -7.013
    2    H2   ALA   1           HT3      ALA   1   7.006   3.958  -6.160
    3    H3   ALA   1           HT2      ALA   1   5.295   3.917  -6.284
    4    HA   ALA   1           HA       ALA   1   5.656   4.669  -4.185
    5   1HB   ALA   1           HB1      ALA   1   7.914   6.223  -5.406
    6   2HB   ALA   1           HB3      ALA   1   7.280   6.605  -3.805
    7   3HB   ALA   1           HB2      ALA   1   7.970   5.013  -4.124
    8    H    MET   2           HN       MET   2   3.784   5.322  -6.156
    9    HA   MET   2           HA       MET   2   2.715   7.719  -5.084
   10   1HB   MET   2           HB2      MET   2   4.569   8.296  -6.956
   11   2HB   MET   2           HB1      MET   2   3.148   8.133  -7.980
   12   1HG   MET   2           HG2      MET   2   2.234   9.679  -5.907
   13   2HG   MET   2           HG1      MET   2   3.888  10.246  -6.126
   14   1HE   MET   2           HE3      MET   2   1.243  11.563  -6.214
   15   2HE   MET   2           HE2      MET   2   1.633  12.825  -7.383
   16   3HE   MET   2           HE1      MET   2   0.364  11.654  -7.741
   17    H    ALA   3           HN       ALA   3   0.912   6.424  -4.775
   18    HA   ALA   3           HA       ALA   3  -0.885   6.292  -7.025
   19   1HB   ALA   3           HB3      ALA   3  -0.747   3.683  -5.670
   20   2HB   ALA   3           HB1      ALA   3   0.623   4.073  -6.712
   21   3HB   ALA   3           HB2      ALA   3  -1.014   4.072  -7.371
   22    H    CYS   4           HN       CYS   4  -0.720   7.629  -4.466
   23    HA   CYS   4           HA       CYS   4  -2.369   6.464  -2.523
   24   1HB   CYS   4           HB2      CYS   4  -2.668   8.838  -1.724
   25   2HB   CYS   4           HB1      CYS   4  -0.997   8.314  -1.898
   26    H    TRP   5           HN       TRP   5  -4.538   6.925  -1.951
   27    HA   TRP   5           HA       TRP   5  -6.270   7.205  -4.264
   28   1HB   TRP   5           HB2      TRP   5  -8.078   6.692  -2.543
   29   2HB   TRP   5           HB1      TRP   5  -6.887   5.425  -2.822
   30    HD1  TRP   5           HD1      TRP   5  -5.428   4.680  -0.792
   31    HE1  TRP   5           HE1      TRP   5  -5.387   5.293   1.707
   32    HE3  TRP   5           HE3      TRP   5  -8.473   8.743  -0.939
   33    HZ2  TRP   5           HZ2      TRP   5  -6.513   7.265   3.395
   34    HZ3  TRP   5           HZ3      TRP   5  -8.955   9.952   1.151
   35    HH2  TRP   5           HH2      TRP   5  -7.993   9.225   3.275
   36    H    ALA   6           HN       ALA   6  -5.155   9.088  -1.605
   37    HA   ALA   6           HA       ALA   6  -7.282  10.924  -1.379
   38   1HB   ALA   6           HB3      ALA   6  -4.487  11.817  -0.895
   39   2HB   ALA   6           HB2      ALA   6  -5.941  12.076   0.070
   40   3HB   ALA   6           HB1      ALA   6  -5.133  10.508   0.096
   41    H    GLN   7           HN       GLN   7  -4.589  10.671  -3.595
   42    HA   GLN   7           HA       GLN   7  -4.609  13.291  -4.605
   43   1HB   GLN   7           HB2      GLN   7  -3.472  12.339  -6.578
   44   2HB   GLN   7           HB1      GLN   7  -2.766  11.785  -5.067
   45   1HG   GLN   7           HG2      GLN   7  -2.961   9.715  -5.820
   46   2HG   GLN   7           HG1      GLN   7  -4.710   9.894  -5.684
   47   1HE2  GLN   7          1HE2      GLN   7  -1.971  10.032  -7.835
   48   2HE2  GLN   7          2HE2      GLN   7  -2.869   9.940  -9.307
   49    H    SER   8           HN       SER   8  -6.617  10.515  -5.265
   50    HA   SER   8           HA       SER   8  -7.752  11.255  -7.695
   51   1HB   SER   8           HB2      SER   8  -9.035   9.813  -5.361
   52   2HB   SER   8           HB1      SER   8  -9.705   9.885  -6.991
   53    HG   SER   8           HG       SER   8  -7.497   8.479  -6.026
   54    H    GLN   9           HN       GLN   9  -8.211  12.546  -4.515
   55    HA   GLN   9           HA       GLN   9 -10.559  14.074  -5.339
   56   1HB   GLN   9           HB2      GLN   9  -9.203  13.632  -2.687
   57   2HB   GLN   9           HB1      GLN   9 -10.433  14.870  -2.903
   58   1HG   GLN   9           HG2      GLN   9 -11.827  12.879  -3.875
   59   2HG   GLN   9           HG1      GLN   9 -10.696  11.908  -2.934
   60   1HE2  GLN   9          1HE2      GLN   9 -10.782  11.958  -0.718
   61   2HE2  GLN   9          2HE2      GLN   9 -12.071  12.703   0.159
   62    H    GLY  10           HN       GLY  10  -7.152  14.435  -4.704
   63   1HA   GLY  10           HA1      GLY  10  -7.387  17.360  -4.876
   64   2HA   GLY  10           HA2      GLY  10  -6.425  16.518  -6.080
   65    H    TYR  11           HN       TYR  11  -6.472  15.315  -2.826
   66    HA   TYR  11           HA       TYR  11  -4.320  16.821  -1.789
   67   1HB   TYR  11           HB2      TYR  11  -5.713  14.296  -1.038
   68   2HB   TYR  11           HB1      TYR  11  -4.138  14.602  -0.316
   69    HD1  TYR  11           HD1      TYR  11  -7.644  15.500  -0.347
   70    HD2  TYR  11           HD2      TYR  11  -3.804  16.631   1.098
   71    HE1  TYR  11           HE1      TYR  11  -8.707  16.955   1.325
   72    HE2  TYR  11           HE2      TYR  11  -4.858  18.088   2.774
   73    HH   TYR  11           HH       TYR  11  -7.090  19.316   3.004
   74    H    ASN  12           HN       ASN  12  -2.402  15.170  -0.867
   75    HA   ASN  12           HA       ASN  12  -1.223  13.969  -3.286
   76   1HB   ASN  12           HB2      ASN  12   0.254  15.535  -1.158
   77   2HB   ASN  12           HB1      ASN  12   0.966  14.803  -2.592
   78   1HD2  ASN  12          1HD2      ASN  12   1.176  17.515  -1.918
   79   2HD2  ASN  12          2HD2      ASN  12   0.361  18.438  -3.130
   80    H    CYS  13           HN       CYS  13   0.456  12.342  -2.840
   81    HA   CYS  13           HA       CYS  13  -0.435  10.478  -0.885
   82   1HB   CYS  13           HB2      CYS  13   2.202  10.317  -2.327
   83   2HB   CYS  13           HB1      CYS  13   1.177   9.001  -1.768
   84    H    CYS  14           HN       CYS  14   0.537   9.795   1.005
   85    HA   CYS  14           HA       CYS  14   2.440  11.696   2.168
   86   1HB   CYS  14           HB2      CYS  14   0.113  10.487   3.170
   87   2HB   CYS  14           HB1      CYS  14   1.441   9.709   4.022
   88    H    ASN  15           HN       ASN  15   4.432  11.038   1.540
   89    HA   ASN  15           HA       ASN  15   5.484   8.629   0.982
   90   1HB   ASN  15           HB2      ASN  15   6.769  10.715   0.909
   91   2HB   ASN  15           HB1      ASN  15   6.822  10.756   2.668
   92   1HD2  ASN  15          1HD2      ASN  15   8.899  10.498   3.109
   93   2HD2  ASN  15          2HD2      ASN  15   9.878   9.176   2.578
   94    H    ASN  16           HN       ASN  16   6.435   6.894   2.067
   95    HA   ASN  16           HA       ASN  16   6.321   5.213   3.608
   96   1HB   ASN  16           HB2      ASN  16   7.449   5.692   5.683
   97   2HB   ASN  16           HB1      ASN  16   8.237   6.591   4.392
   98   1HD2  ASN  16          1HD2      ASN  16   7.785   8.855   4.222
   99   2HD2  ASN  16          2HD2      ASN  16   7.352   9.756   5.629
  100    HA   PRO  17           HA       PRO  17   2.143   6.744   5.248
  101   1HB   PRO  17           HB2      PRO  17   0.710   4.777   3.971
  102   2HB   PRO  17           HB1      PRO  17   0.972   6.397   3.318
  103   1HG   PRO  17           HG2      PRO  17   2.415   3.850   2.706
  104   2HG   PRO  17           HG1      PRO  17   1.889   5.134   1.601
  105   1HD   PRO  17           HD2      PRO  17   4.444   4.923   2.405
  106   2HD   PRO  17           HD1      PRO  17   3.678   6.504   2.141
  107    H    SER  18           HN       SER  18   4.008   3.857   5.145
  108    HA   SER  18           HA       SER  18   2.365   2.277   6.863
  109   1HB   SER  18           HB2      SER  18   5.285   1.751   6.748
  110   2HB   SER  18           HB1      SER  18   3.929   0.636   6.581
  111    HG   SER  18           HG       SER  18   3.593   1.754   4.482
  112    H    SER  19           HN       SER  19   4.204   5.007   7.446
  113    HA   SER  19           HA       SER  19   4.234   4.419  10.314
  114   1HB   SER  19           HB2      SER  19   6.537   4.073   9.264
  115   2HB   SER  19           HB1      SER  19   6.555   5.814   8.981
  116    HG   SER  19           HG       SER  19   6.775   6.171  11.071
  117    H    THR  20           HN       THR  20   2.858   6.208   8.123
  118    HA   THR  20           HA       THR  20   3.375   8.871   8.995
  119    HB   THR  20           HB       THR  20   1.343   7.555   7.211
  120    HG1  THR  20           HG1      THR  20   2.411   8.763   5.650
  121   1HG2  THR  20          2HG2      THR  20   1.451  10.477   7.875
  122   2HG2  THR  20          1HG2      THR  20   0.499   9.739   6.587
  123   3HG2  THR  20          3HG2      THR  20   0.148   9.358   8.271
  124    H    LYS  21           HN       LYS  21   2.112  10.169  10.309
  125    HA   LYS  21           HA       LYS  21   0.451   8.744  12.225
  126   1HB   LYS  21           HB2      LYS  21   2.107  10.299  13.101
  127   2HB   LYS  21           HB1      LYS  21   1.416  11.610  12.154
  128   1HG   LYS  21           HG2      LYS  21   0.588  11.967  14.294
  129   2HG   LYS  21           HG1      LYS  21  -0.742  11.161  13.461
  130   1HD   LYS  21           HD2      LYS  21  -0.600   9.317  14.750
  131   2HD   LYS  21           HD1      LYS  21   1.164   9.368  14.804
  132   1HE   LYS  21           HE2      LYS  21   0.841  11.403  16.347
  133   2HE   LYS  21           HE1      LYS  21  -0.819  10.831  16.513
  134   1HZ   LYS  21           HZ2      LYS  21   0.504   8.585  16.987
  135   2HZ   LYS  21           HZ1      LYS  21   1.649   9.695  17.551
  136   3HZ   LYS  21           HZ3      LYS  21   0.089   9.681  18.207
  137    H    VAL  22           HN       VAL  22  -1.640   8.495  11.754
  138    HA   VAL  22           HA       VAL  22  -2.995  10.384  10.039
  139    HB   VAL  22           HB       VAL  22  -3.970   7.799  11.265
  140   1HG1  VAL  22          3HG1      VAL  22  -5.700   9.559  10.629
  141   2HG1  VAL  22          2HG1      VAL  22  -5.212   9.266   8.960
  142   3HG1  VAL  22          1HG1      VAL  22  -5.890   7.954   9.925
  143   1HG2  VAL  22          1HG2      VAL  22  -2.071   8.010   9.365
  144   2HG2  VAL  22          3HG2      VAL  22  -3.209   6.667   9.474
  145   3HG2  VAL  22          2HG2      VAL  22  -3.524   8.001   8.364
  146    H    GLU  23           HN       GLU  23  -3.363  12.177  11.227
  147    HA   GLU  23           HA       GLU  23  -4.582  11.954  13.863
  148   1HB   GLU  23           HB2      GLU  23  -4.559  14.589  13.494
  149   2HB   GLU  23           HB1      GLU  23  -3.122  13.715  14.002
  150   1HG   GLU  23           HG2      GLU  23  -2.153  13.839  11.880
  151   2HG   GLU  23           HG1      GLU  23  -3.685  14.246  11.107
  152    H    TYR  24           HN       TYR  24  -5.614  11.720  10.800
  153    HA   TYR  24           HA       TYR  24  -8.282  12.740  11.514
  154   1HB   TYR  24           HB2      TYR  24  -6.933  14.295   9.947
  155   2HB   TYR  24           HB1      TYR  24  -7.238  13.071   8.719
  156    HD1  TYR  24           HD1      TYR  24  -8.481  15.991  10.267
  157    HD2  TYR  24           HD2      TYR  24  -9.739  12.377   8.407
  158    HE1  TYR  24           HE1      TYR  24 -10.685  16.991   9.829
  159    HE2  TYR  24           HE2      TYR  24 -11.947  13.367   7.963
  160    HH   TYR  24           HH       TYR  24 -12.864  15.770   7.680
  161    H    THR  25           HN       THR  25  -9.982  11.504  10.863
  162    HA   THR  25           HA       THR  25  -9.760   9.541   8.805
  163    HB   THR  25           HB       THR  25 -10.156   8.423  11.574
  164    HG1  THR  25           HG1      THR  25  -7.776   8.625  10.053
  165   1HG2  THR  25          2HG2      THR  25 -10.446   7.341   8.978
  166   2HG2  THR  25          1HG2      THR  25  -9.034   6.593   9.728
  167   3HG2  THR  25          3HG2      THR  25 -10.600   6.528  10.537
  168    H    ASP  26           HN       ASP  26 -11.655   9.696   7.866
  169    HA   ASP  26           HA       ASP  26 -14.077   9.678   9.521
  170   1HB   ASP  26           HB2      ASP  26 -15.100  11.418   8.196
  171   2HB   ASP  26           HB1      ASP  26 -13.548  12.012   8.777
  172    H    ALA  27           HN       ALA  27 -15.606  10.072   6.904
  173    HA   ALA  27           HA       ALA  27 -15.685   7.264   6.221
  174   1HB   ALA  27           HB3      ALA  27 -17.646   9.055   6.460
  175   2HB   ALA  27           HB2      ALA  27 -17.343   9.211   4.730
  176   3HB   ALA  27           HB1      ALA  27 -17.771   7.642   5.412
  177    H    SER  28           HN       SER  28 -13.623   9.539   5.298
  178    HA   SER  28           HA       SER  28 -13.663   8.872   2.444
  179   1HB   SER  28           HB2      SER  28 -11.818  10.867   3.748
  180   2HB   SER  28           HB1      SER  28 -12.324  10.780   2.061
  181    HG   SER  28           HG       SER  28 -14.388  11.432   2.693
  182    H    GLY  29           HN       GLY  29 -11.913   8.397   5.397
  183   1HA   GLY  29           HA1      GLY  29  -9.723   7.078   3.940
  184   2HA   GLY  29           HA2      GLY  29 -10.627   6.189   5.158
  185    H    GLN  30           HN       GLN  30  -7.750   7.093   4.930
  186    HA   GLN  30           HA       GLN  30  -7.601   8.413   7.560
  187   1HB   GLN  30           HB2      GLN  30  -5.444   6.662   6.401
  188   2HB   GLN  30           HB1      GLN  30  -5.676   7.147   8.074
  189   1HG   GLN  30           HG2      GLN  30  -7.519   5.691   8.340
  190   2HG   GLN  30           HG1      GLN  30  -7.617   5.391   6.605
  191   1HE2  GLN  30          1HE2      GLN  30  -5.727   4.318   5.625
  192   2HE2  GLN  30          2HE2      GLN  30  -4.907   3.109   6.546
  193    H    TRP  31           HN       TRP  31  -6.417  10.233   7.760
  194    HA   TRP  31           HA       TRP  31  -4.681  11.009   5.518
  195   1HB   TRP  31           HB2      TRP  31  -6.385  13.015   6.980
  196   2HB   TRP  31           HB1      TRP  31  -5.534  13.209   5.452
  197    HD1  TRP  31           HD1      TRP  31  -8.507  11.134   6.844
  198    HE1  TRP  31           HE1      TRP  31 -10.239  10.879   4.958
  199    HE3  TRP  31           HE3      TRP  31  -5.960  13.480   3.085
  200    HZ2  TRP  31           HZ2      TRP  31 -10.491  11.583   2.232
  201    HZ3  TRP  31           HZ3      TRP  31  -7.015  13.646   0.869
  202    HH2  TRP  31           HH2      TRP  31  -9.233  12.717   0.451
  203    H    GLY  32           HN       GLY  32  -3.024  12.557   6.062
  204   1HA   GLY  32           HA1      GLY  32  -1.492  11.947   8.237
  205   2HA   GLY  32           HA2      GLY  32  -2.526  13.256   8.794
  206    H    VAL  33           HN       VAL  33  -0.287  14.218   9.037
  207    HA   VAL  33           HA       VAL  33   0.476  15.530   6.510
  208    HB   VAL  33           HB       VAL  33  -0.495  17.202   7.879
  209   1HG1  VAL  33          1HG1      VAL  33  -0.476  15.947   9.978
  210   2HG1  VAL  33          3HG1      VAL  33   1.255  16.248  10.140
  211   3HG1  VAL  33          2HG1      VAL  33   0.116  17.594  10.197
  212   1HG2  VAL  33          1HG2      VAL  33   1.590  17.885   6.804
  213   2HG2  VAL  33          3HG2      VAL  33   1.368  18.719   8.341
  214   3HG2  VAL  33          2HG2      VAL  33   2.501  17.372   8.224
  215    H    GLN  34           HN       GLN  34   2.331  14.708   5.818
  216    HA   GLN  34           HA       GLN  34   4.451  14.183   7.797
  217   1HB   GLN  34           HB2      GLN  34   3.445  12.223   6.396
  218   2HB   GLN  34           HB1      GLN  34   4.409  12.900   5.087
  219   1HG   GLN  34           HG2      GLN  34   6.222  11.914   5.850
  220   2HG   GLN  34           HG1      GLN  34   6.031  12.692   7.420
  221   1HE2  GLN  34          1HE2      GLN  34   5.379   9.860   5.524
  222   2HE2  GLN  34          2HE2      GLN  34   4.975   8.816   6.841
  223    H    ASN  35           HN       ASN  35   6.351  15.192   7.541
  224    HA   ASN  35           HA       ASN  35   7.929  16.601   6.720
  225   1HB   ASN  35           HB2      ASN  35   8.251  14.909   5.042
  226   2HB   ASN  35           HB1      ASN  35   6.856  15.470   4.132
  227   1HD2  ASN  35          1HD2      ASN  35   7.929  15.835   2.274
  228   2HD2  ASN  35          2HD2      ASN  35   9.099  17.092   2.070
  229    H    GLY  36           HN       GLY  36   5.753  17.913   7.561
  230   1HA   GLY  36           HA1      GLY  36   5.930  20.415   6.423
  231   2HA   GLY  36           HA2      GLY  36   4.578  19.876   7.400
  232    H    GLN  37           HN       GLN  37   3.390  17.989   5.784
  233    HA   GLN  37           HA       GLN  37   2.055  19.684   3.909
  234   1HB   GLN  37           HB2      GLN  37   2.594  18.598   1.871
  235   2HB   GLN  37           HB1      GLN  37   4.123  18.954   2.660
  236   1HG   GLN  37           HG2      GLN  37   4.705  16.828   2.554
  237   2HG   GLN  37           HG1      GLN  37   3.270  16.362   3.466
  238   1HE2  GLN  37          1HE2      GLN  37   3.375  14.432   2.144
  239   2HE2  GLN  37          2HE2      GLN  37   2.663  14.446   0.570
  240    H    TRP  38           HN       TRP  38   0.097  18.824   3.160
  241    HA   TRP  38           HA       TRP  38  -0.986  16.751   4.847
  242   1HB   TRP  38           HB2      TRP  38  -2.098  18.694   2.870
  243   2HB   TRP  38           HB1      TRP  38  -3.051  17.271   3.274
  244    HD1  TRP  38           HD1      TRP  38  -3.178  20.628   4.141
  245    HE1  TRP  38           HE1      TRP  38  -3.893  21.060   6.576
  246    HE3  TRP  38           HE3      TRP  38  -2.310  15.977   6.079
  247    HZ2  TRP  38           HZ2      TRP  38  -4.066  19.619   8.997
  248    HZ3  TRP  38           HZ3      TRP  38  -2.777  15.587   8.463
  249    HH2  TRP  38           HH2      TRP  38  -3.636  17.372   9.891
  250    H    CYS  39           HN       CYS  39  -1.894  14.796   4.163
  251    HA   CYS  39           HA       CYS  39  -1.992  13.920   1.499
  252   1HB   CYS  39           HB2      CYS  39  -0.076  12.111   2.027
  253   2HB   CYS  39           HB1      CYS  39   0.236  13.618   1.179
  254    H    GLY  40           HN       GLY  40  -2.476  11.595   1.312
  255   1HA   GLY  40           HA1      GLY  40  -4.210  10.151   2.058
  256   2HA   GLY  40           HA2      GLY  40  -3.925  10.705   3.702
  257    H    ILE  41           HN       ILE  41  -3.911   8.458   4.312
  258    HA   ILE  41           HA       ILE  41  -1.241   7.311   4.036
  259    HB   ILE  41           HB       ILE  41  -3.477   6.921   5.992
  260   1HG1  ILE  41          2HG1      ILE  41  -1.483   7.209   7.562
  261   2HG1  ILE  41          1HG1      ILE  41  -0.553   7.634   6.129
  262   1HG2  ILE  41          2HG2      ILE  41  -1.202   5.011   5.513
  263   2HG2  ILE  41          1HG2      ILE  41  -2.105   5.085   7.027
  264   3HG2  ILE  41          3HG2      ILE  41  -2.931   4.660   5.527
  265   1HD1  ILE  41          1HD1      ILE  41  -3.090   9.079   6.530
  266   2HD1  ILE  41          3HD1      ILE  41  -1.780   9.431   7.657
  267   3HD1  ILE  41          2HD1      ILE  41  -1.535   9.649   5.923
  268    H    ASP  42           HN       ASP  42  -0.919   5.918   2.461
  269    HA   ASP  42           HA       ASP  42  -2.890   3.807   1.989
  270   1HB   ASP  42           HB2      ASP  42  -2.038   4.217  -0.558
  271   2HB   ASP  42           HB1      ASP  42  -3.526   4.888   0.099
  272    H    TYR  43           HN       TYR  43  -1.577   2.286   2.926
  273    HA   TYR  43           HA       TYR  43   1.179   2.018   2.567
  274   1HB   TYR  43           HB2      TYR  43  -0.612  -0.362   2.976
  275   2HB   TYR  43           HB1      TYR  43   1.001  -0.074   3.617
  276    HD1  TYR  43           HD1      TYR  43   0.494   2.762   4.627
  277    HD2  TYR  43           HD2      TYR  43  -1.738  -0.841   5.004
  278    HE1  TYR  43           HE1      TYR  43  -0.492   3.598   6.720
  279    HE2  TYR  43           HE2      TYR  43  -2.729  -0.014   7.096
  280    HH   TYR  43           HH       TYR  43  -1.544   2.731   8.735
  281    H    SER  44           HN       SER  44  -1.453   1.161   0.490
  282    HA   SER  44           HA       SER  44   0.391  -0.301  -1.277
  283   1HB   SER  44           HB2      SER  44  -2.538  -0.528  -0.760
  284   2HB   SER  44           HB1      SER  44  -1.947  -0.905  -2.379
  285    HG   SER  44           HG       SER  44  -0.818  -2.578  -1.598
  286    H    TYR  45           HN       TYR  45   0.731   2.373  -1.377
  287    HA   TYR  45           HA       TYR  45  -0.890   3.358  -3.591
  288   1HB   TYR  45           HB2      TYR  45  -0.401   5.481  -2.922
  289   2HB   TYR  45           HB1      TYR  45  -0.146   4.661  -1.390
  290    HD1  TYR  45           HD1      TYR  45   2.513   3.393  -2.071
  291    HD2  TYR  45           HD2      TYR  45   1.029   7.333  -2.629
  292    HE1  TYR  45           HE1      TYR  45   4.805   4.256  -1.998
  293    HE2  TYR  45           HE2      TYR  45   3.322   8.219  -2.554
  294    HH   TYR  45           HH       TYR  45   5.513   7.590  -1.714
  295    H    GLY  46           HN       GLY  46   1.112   1.225  -3.917
  296   1HA   GLY  46           HA1      GLY  46   2.332   2.254  -6.303
  297   2HA   GLY  46           HA2      GLY  46   2.448   0.610  -5.697
  298    H    GLN  47           HN       GLN  47   4.187   0.003  -4.467
  299    HA   GLN  47           HA       GLN  47   6.275   2.051  -4.121
  300   1HB   GLN  47           HB2      GLN  47   5.230   0.011  -2.274
  301   2HB   GLN  47           HB1      GLN  47   6.985   0.105  -2.346
  302   1HG   GLN  47           HG2      GLN  47   6.986   1.916  -1.082
  303   2HG   GLN  47           HG1      GLN  47   5.905   2.743  -2.202
  304   1HE2  GLN  47          1HE2      GLN  47   3.576   1.585  -2.019
  305   2HE2  GLN  47          2HE2      GLN  47   2.956   1.593  -0.406
  306    H    ASN  48           HN       ASN  48   8.463   0.655  -3.630
  307    HA   ASN  48           HA       ASN  48   9.127  -0.457  -6.163
  308   1HB   ASN  48           HB2      ASN  48  10.572   0.023  -3.596
  309   2HB   ASN  48           HB1      ASN  48  11.283  -1.095  -4.756
  310   1HD2  ASN  48          1HD2      ASN  48  12.666   1.108  -4.130
  311   2HD2  ASN  48          2HD2      ASN  48  12.656   2.236  -5.439
  312    H    GLN  49           HN       GLN  49  10.288  -2.592  -6.341
  313    HA   GLN  49           HA       GLN  49   8.582  -4.651  -5.205
  314   1HB   GLN  49           HB2      GLN  49  10.508  -4.520  -7.475
  315   2HB   GLN  49           HB1      GLN  49  10.147  -6.090  -6.764
  316   1HG   GLN  49           HG2      GLN  49   8.301  -6.203  -7.891
  317   2HG   GLN  49           HG1      GLN  49   7.725  -4.731  -7.117
  318   1HE2  GLN  49          1HE2      GLN  49   8.242  -2.699  -8.129
  319   2HE2  GLN  49          2HE2      GLN  49   8.473  -2.619  -9.839
  320    H    GLY  50           HN       GLY  50  10.425  -3.411  -3.364
  321   1HA   GLY  50           HA1      GLY  50  12.502  -3.944  -2.297
  322   2HA   GLY  50           HA2      GLY  50  12.415  -5.532  -3.038
  323    H    ASN  51           HN       ASN  51   9.508  -5.693  -2.224
  324    HA   ASN  51           HA       ASN  51   8.281  -6.553  -0.511
  325   1HB   ASN  51           HB2      ASN  51  10.396  -8.113  -0.662
  326   2HB   ASN  51           HB1      ASN  51  10.775  -7.401   0.904
  327   1HD2  ASN  51          1HD2      ASN  51  10.537  -9.764   1.421
  328   2HD2  ASN  51          2HD2      ASN  51   8.967 -10.302   1.899
  329    H    GLU  52           HN       GLU  52   9.581  -3.799  -0.256
  330    HA   GLU  52           HA       GLU  52   9.965  -3.432   2.565
  331   1HB   GLU  52           HB2      GLU  52  10.139  -1.063   2.040
  332   2HB   GLU  52           HB1      GLU  52  11.096  -2.005   0.906
  333   1HG   GLU  52           HG2      GLU  52   9.669  -1.589  -0.855
  334   2HG   GLU  52           HG1      GLU  52   8.304  -1.229   0.201
  335    H    SER  53           HN       SER  53   7.258  -3.911   0.698
  336    HA   SER  53           HA       SER  53   5.496  -3.160   2.830
  337   1HB   SER  53           HB2      SER  53   5.979  -1.222   0.851
  338   2HB   SER  53           HB1      SER  53   4.408  -1.918   0.453
  339    HG   SER  53           HG       SER  53   3.628  -1.296   2.398
  340    H    CYS  54           HN       CYS  54   3.886  -4.595   2.896
  341    HA   CYS  54           HA       CYS  54   3.344  -6.161   0.466
  342   1HB   CYS  54           HB2      CYS  54   3.771  -7.975   1.689
  343   2HB   CYS  54           HB1      CYS  54   4.013  -6.996   3.126
  344    H    THR  55           HN       THR  55   1.148  -7.104   0.379
  345    HA   THR  55           HA       THR  55  -0.813  -5.040   0.909
  346    HB   THR  55           HB       THR  55  -1.010  -7.650  -0.609
  347    HG1  THR  55           HG1      THR  55   0.051  -6.456  -1.984
  348   1HG2  THR  55          2HG2      THR  55  -3.062  -5.775   0.204
  349   2HG2  THR  55          1HG2      THR  55  -2.977  -5.963  -1.549
  350   3HG2  THR  55          3HG2      THR  55  -3.210  -7.377  -0.520
  351    H    GLY  56           HN       GLY  56  -2.384  -5.204   2.405
  352   1HA   GLY  56           HA1      GLY  56  -2.532  -7.738   3.915
  353   2HA   GLY  56           HA2      GLY  56  -3.899  -6.652   3.695
  354    H    ASN  57           HN       ASN  57  -1.410  -4.615   4.043
  355    HA   ASN  57           HA       ASN  57  -1.013  -4.784   6.890
  356   1HB   ASN  57           HB2      ASN  57  -0.191  -2.835   4.756
  357   2HB   ASN  57           HB1      ASN  57   0.021  -2.437   6.458
  358   1HD2  ASN  57          1HD2      ASN  57   1.998  -2.881   4.348
  359   2HD2  ASN  57          2HD2      ASN  57   3.026  -4.145   4.923
  360    H    GLY  58           HN       GLY  58  -3.671  -4.022   5.231
  361   1HA   GLY  58           HA1      GLY  58  -4.824  -1.725   5.687
  362   2HA   GLY  58           HA2      GLY  58  -4.628  -2.251   7.354
  363    H    SER  59           HN       SER  59  -5.014  -5.113   6.334
  364    HA   SER  59           HA       SER  59  -7.858  -5.164   6.753
  365   1HB   SER  59           HB2      SER  59  -6.766  -6.111   4.095
  366   2HB   SER  59           HB1      SER  59  -8.429  -6.296   4.650
  367    HG   SER  59           HG       SER  59  -8.782  -4.197   4.361
  368    H    TYR  60           HN       TYR  60  -5.481  -7.331   5.183
  369    HA   TYR  60           HA       TYR  60  -5.915  -9.242   7.379
  370   1HB   TYR  60           HB2      TYR  60  -5.375 -10.590   4.863
  371   2HB   TYR  60           HB1      TYR  60  -6.659 -10.871   6.030
  372    HD1  TYR  60           HD1      TYR  60  -5.765  -8.274   3.491
  373    HD2  TYR  60           HD2      TYR  60  -8.801 -10.704   5.207
  374    HE1  TYR  60           HE1      TYR  60  -7.387  -7.363   1.885
  375    HE2  TYR  60           HE2      TYR  60 -10.437  -9.797   3.611
  376    HH   TYR  60           HH       TYR  60 -10.091  -8.660   1.066
  377    HA   PRO  61           HA       PRO  61  -1.580  -9.853   7.756
  378   1HB   PRO  61           HB2      PRO  61  -1.294 -12.589   7.529
  379   2HB   PRO  61           HB1      PRO  61  -1.807 -11.750   8.996
  380   1HG   PRO  61           HG2      PRO  61  -3.477 -13.086   6.896
  381   2HG   PRO  61           HG1      PRO  61  -3.639 -13.148   8.664
  382   1HD   PRO  61           HD2      PRO  61  -5.229 -11.582   7.211
  383   2HD   PRO  61           HD1      PRO  61  -4.590 -11.019   8.770
  384    H    CYS  62           HN       CYS  62   0.384 -10.520   6.694
  385    HA   CYS  62           HA       CYS  62   0.312 -10.186   3.868
  386   1HB   CYS  62           HB2      CYS  62   2.470 -10.807   5.867
  387   2HB   CYS  62           HB1      CYS  62   2.809 -10.865   4.145
  388    H    CYS  63           HN       CYS  63   1.277 -11.747   2.310
  389    HA   CYS  63           HA       CYS  63   0.494 -14.488   3.022
  390   1HB   CYS  63           HB2      CYS  63  -0.251 -12.892   0.854
  391   2HB   CYS  63           HB1      CYS  63   0.892 -14.049   0.184
  392    H    ASN  64           HN       ASN  64   2.631 -13.102   0.575
  393    HA   ASN  64           HA       ASN  64   5.057 -13.269   0.781
  394   1HB   ASN  64           HB2      ASN  64   6.141 -15.246   1.495
  395   2HB   ASN  64           HB1      ASN  64   4.860 -14.981   2.664
  396   1HD2  ASN  64          1HD2      ASN  64   4.251 -16.923   3.322
  397   2HD2  ASN  64          2HD2      ASN  64   3.841 -18.255   2.302
  398    H    THR  65           HN       THR  65   2.646 -15.369  -0.546
  399    HA   THR  65           HA       THR  65   4.182 -16.393  -2.696
  400    HB   THR  65           HB       THR  65   2.076 -17.378  -1.756
  401    HG1  THR  65           HG1      THR  65   2.858 -18.025  -3.798
  402   1HG2  THR  65          2HG2      THR  65   0.790 -15.220  -1.733
  403   2HG2  THR  65          1HG2      THR  65   0.632 -15.389  -3.484
  404   3HG2  THR  65          3HG2      THR  65  -0.057 -16.611  -2.413
  405    H    CYS  66           HN       CYS  66   4.392 -15.712  -4.783
  406    HA   CYS  66           HA       CYS  66   3.562 -12.953  -5.318
  407   1HB   CYS  66           HB2      CYS  66   5.508 -14.653  -6.893
  408   2HB   CYS  66           HB1      CYS  66   5.257 -12.914  -7.042
  409    H    GLN  67           HN       GLN  67   1.688 -15.076  -5.383
  410    HA   GLN  67           HA       GLN  67   0.939 -15.039  -8.225
  411   1HB   GLN  67           HB2      GLN  67   1.263 -17.287  -8.049
  412   2HB   GLN  67           HB1      GLN  67   1.111 -17.279  -6.302
  413   1HG   GLN  67           HG2      GLN  67  -1.422 -16.774  -7.640
  414   2HG   GLN  67           HG1      GLN  67  -0.694 -18.307  -8.106
  415   1HE2  GLN  67          1HE2      GLN  67  -0.341 -16.709  -4.992
  416   2HE2  GLN  67          2HE2      GLN  67  -1.163 -17.918  -4.072
  417    H    ALA  68           HN       ALA  68  -0.346 -13.239  -8.014
  418    HA   ALA  68           HA       ALA  68  -2.338 -13.064  -5.948
  419   1HB   ALA  68           HB1      ALA  68  -1.650 -10.960  -6.424
  420   2HB   ALA  68           HB2      ALA  68  -3.010 -11.053  -7.544
  421   3HB   ALA  68           HB3      ALA  68  -1.366 -11.314  -8.128
  422    H    THR  69           HN       THR  69  -4.227 -13.989  -6.029
  423    HA   THR  69           HA       THR  69  -5.263 -14.928  -8.596
  424    HB   THR  69           HB       THR  69  -5.565 -16.750  -7.303
  425    HG1  THR  69           HG1      THR  69  -7.607 -16.897  -6.644
  426   1HG2  THR  69          3HG2      THR  69  -4.341 -15.815  -5.396
  427   2HG2  THR  69          2HG2      THR  69  -5.835 -15.061  -4.832
  428   3HG2  THR  69          1HG2      THR  69  -5.708 -16.820  -4.904
  429    H    TYR  70           HN       TYR  70  -5.840 -12.506  -6.201
  430    HA   TYR  70           HA       TYR  70  -8.018 -11.483  -7.817
  431   1HB   TYR  70           HB2      TYR  70  -9.720 -11.710  -6.332
  432   2HB   TYR  70           HB1      TYR  70  -8.755 -13.064  -5.763
  433    HD1  TYR  70           HD1      TYR  70  -8.277 -13.209  -3.505
  434    HD2  TYR  70           HD2      TYR  70  -9.198  -9.400  -5.161
  435    HE1  TYR  70           HE1      TYR  70  -8.229 -12.224  -1.253
  436    HE2  TYR  70           HE2      TYR  70  -9.153  -8.407  -2.917
  437    HH   TYR  70           HH       TYR  70  -7.822  -9.897  -0.269
  438    H    THR  71           HN       THR  71  -8.083  -9.304  -7.851
  439    HA   THR  71           HA       THR  71  -6.369  -7.870  -5.931
  440    HB   THR  71           HB       THR  71  -6.706  -7.366  -8.893
  441    HG1  THR  71           HG1      THR  71  -5.162  -8.982  -8.086
  442   1HG2  THR  71          3HG2      THR  71  -6.598  -5.253  -7.519
  443   2HG2  THR  71          2HG2      THR  71  -4.978  -5.761  -7.038
  444   3HG2  THR  71          1HG2      THR  71  -5.338  -5.459  -8.738
  445    H    ASP  72           HN       ASP  72  -7.228  -6.161  -4.944
  446    HA   ASP  72           HA       ASP  72  -9.859  -5.221  -5.869
  447   1HB   ASP  72           HB2      ASP  72  -9.413  -6.545  -3.523
  448   2HB   ASP  72           HB1      ASP  72  -9.248  -4.870  -3.007
  449    H    GLY  73           HN       GLY  73 -10.162  -3.096  -4.137
  450   1HA   GLY  73           HA1      GLY  73  -9.711  -0.843  -4.113
  451   2HA   GLY  73           HA2      GLY  73  -8.575  -1.117  -5.423
  452    H    ASP  74           HN       ASP  74  -7.614  -3.191  -3.044
  453    HA   ASP  74           HA       ASP  74  -5.839  -1.161  -1.859
  454   1HB   ASP  74           HB2      ASP  74  -5.693  -3.200  -0.075
  455   2HB   ASP  74           HB1      ASP  74  -6.806  -1.846   0.069
  456    H    GLY  75           HN       GLY  75  -5.702  -3.182  -4.248
  457   1HA   GLY  75           HA1      GLY  75  -3.007  -4.156  -3.540
  458   2HA   GLY  75           HA2      GLY  75  -3.489  -3.659  -5.155
  459    H    ASP  76           HN       ASP  76  -2.325  -5.984  -5.137
  460    HA   ASP  76           HA       ASP  76  -4.369  -7.796  -5.972
  461   1HB   ASP  76           HB2      ASP  76  -1.515  -8.625  -5.527
  462   2HB   ASP  76           HB1      ASP  76  -2.647  -9.160  -6.764
  463    H    TRP  77           HN       TRP  77  -4.229 -10.166  -5.207
  464    HA   TRP  77           HA       TRP  77  -3.569 -10.523  -2.421
  465   1HB   TRP  77           HB2      TRP  77  -6.459 -10.666  -3.294
  466   2HB   TRP  77           HB1      TRP  77  -5.840 -11.057  -1.692
  467    HD1  TRP  77           HD1      TRP  77  -6.762  -8.101  -3.905
  468    HE1  TRP  77           HE1      TRP  77  -6.710  -5.954  -2.493
  469    HE3  TRP  77           HE3      TRP  77  -4.664  -9.985   0.357
  470    HZ2  TRP  77           HZ2      TRP  77  -5.886  -5.164   0.080
  471    HZ3  TRP  77           HZ3      TRP  77  -4.273  -8.462   2.248
  472    HH2  TRP  77           HH2      TRP  77  -4.874  -6.099   2.111
  473    H    ALA  78           HN       ALA  78  -3.572 -12.653  -1.735
  474    HA   ALA  78           HA       ALA  78  -4.310 -14.703  -3.672
  475   1HB   ALA  78           HB3      ALA  78  -1.567 -14.515  -2.441
  476   2HB   ALA  78           HB2      ALA  78  -2.159 -15.843  -3.440
  477   3HB   ALA  78           HB1      ALA  78  -1.971 -14.234  -4.136
  478    H    PHE  79           HN       PHE  79  -4.810 -16.702  -2.775
  479    HA   PHE  79           HA       PHE  79  -5.163 -16.662   0.138
  480   1HB   PHE  79           HB2      PHE  79  -7.193 -16.962  -1.243
  481   2HB   PHE  79           HB1      PHE  79  -6.493 -18.423  -1.932
  482    HD1  PHE  79           HD1      PHE  79  -6.679 -20.485  -0.835
  483    HD2  PHE  79           HD2      PHE  79  -7.685 -16.897   1.221
  484    HE1  PHE  79           HE1      PHE  79  -7.639 -21.811   1.002
  485    HE2  PHE  79           HE2      PHE  79  -8.646 -18.217   3.062
  486    HZ   PHE  79           HZ       PHE  79  -8.623 -20.677   2.954
  487    H    GLU  80           HN       GLU  80  -3.673 -17.709   1.265
  488    HA   GLU  80           HA       GLU  80  -2.853 -20.372   0.403
  489   1HB   GLU  80           HB2      GLU  80  -0.554 -19.984   0.460
  490   2HB   GLU  80           HB1      GLU  80  -1.181 -18.568  -0.370
  491   1HG   GLU  80           HG2      GLU  80   0.129 -17.453   1.060
  492   2HG   GLU  80           HG1      GLU  80  -1.210 -17.692   2.183
  493    H    ASN  81           HN       ASN  81  -1.847 -21.624   2.126
  494    HA   ASN  81           HA       ASN  81  -1.919 -22.490   4.230
  495   1HB   ASN  81           HB2      ASN  81  -0.380 -20.361   4.402
  496   2HB   ASN  81           HB1      ASN  81  -1.703 -19.737   5.383
  497   1HD2  ASN  81          1HD2      ASN  81   0.966 -21.869   5.225
  498   2HD2  ASN  81          2HD2      ASN  81   0.868 -22.474   6.841
  499    H    GLY  82           HN       GLY  82  -4.440 -21.456   2.984
  500   1HA   GLY  82           HA1      GLY  82  -6.166 -21.971   5.174
  501   2HA   GLY  82           HA2      GLY  82  -6.659 -21.439   3.574
  502    H    ASN  83           HN       ASN  83  -5.190 -18.988   3.540
  503    HA   ASN  83           HA       ASN  83  -6.979 -17.410   5.198
  504   1HB   ASN  83           HB2      ASN  83  -3.998 -16.944   5.361
  505   2HB   ASN  83           HB1      ASN  83  -5.260 -16.125   6.276
  506   1HD2  ASN  83          1HD2      ASN  83  -3.003 -18.556   6.322
  507   2HD2  ASN  83          2HD2      ASN  83  -3.589 -19.447   7.681
  508    H    TRP  84           HN       TRP  84  -7.253 -15.279   4.483
  509    HA   TRP  84           HA       TRP  84  -6.476 -14.866   1.704
  510   1HB   TRP  84           HB2      TRP  84  -8.460 -13.494   3.517
  511   2HB   TRP  84           HB1      TRP  84  -8.070 -12.889   1.910
  512    HD1  TRP  84           HD1      TRP  84 -10.293 -15.301   3.665
  513    HE1  TRP  84           HE1      TRP  84 -11.615 -16.696   1.954
  514    HE3  TRP  84           HE3      TRP  84  -7.716 -14.049  -0.570
  515    HZ2  TRP  84           HZ2      TRP  84 -11.572 -17.200  -0.823
  516    HZ3  TRP  84           HZ3      TRP  84  -8.420 -15.032  -2.713
  517    HH2  TRP  84           HH2      TRP  84 -10.308 -16.575  -2.835
  518    H    CYS  85           HN       CYS  85  -4.299 -14.331   1.938
  519    HA   CYS  85           HA       CYS  85  -3.716 -11.838   3.377
  520   1HB   CYS  85           HB2      CYS  85  -1.263 -12.759   2.642
  521   2HB   CYS  85           HB1      CYS  85  -2.035 -13.116   4.179
  522    H    GLY  86           HN       GLY  86  -2.089 -10.383   2.339
  523   1HA   GLY  86           HA1      GLY  86  -2.084  -8.815   0.571
  524   2HA   GLY  86           HA2      GLY  86  -2.844 -10.014  -0.463
  525    H    ILE  87           HN       ILE  87  -1.219  -9.311  -2.028
  526    HA   ILE  87           HA       ILE  87   1.079 -11.057  -1.922
  527    HB   ILE  87           HB       ILE  87  -0.472  -9.780  -3.987
  528   1HG1  ILE  87          2HG1      ILE  87   0.337 -11.584  -5.334
  529   2HG1  ILE  87          1HG1      ILE  87   1.722 -11.833  -4.276
  530   1HG2  ILE  87          1HG2      ILE  87   1.356  -8.183  -4.159
  531   2HG2  ILE  87          3HG2      ILE  87   2.510  -9.508  -4.315
  532   3HG2  ILE  87          2HG2      ILE  87   1.302  -9.239  -5.571
  533   1HD1  ILE  87          1HD1      ILE  87  -1.145 -12.284  -3.491
  534   2HD1  ILE  87          3HD1      ILE  87  -0.025 -13.538  -4.027
  535   3HD1  ILE  87          2HD1      ILE  87   0.289 -12.659  -2.533
  536    H    LYS  88           HN       LYS  88   3.233 -10.446  -2.107
  537    HA   LYS  88           HA       LYS  88   3.923  -8.049  -0.686
  538   1HB   LYS  88           HB2      LYS  88   5.863  -9.881  -2.080
  539   2HB   LYS  88           HB1      LYS  88   6.136  -8.880  -0.660
  540   1HG   LYS  88           HG2      LYS  88   4.171 -11.142  -0.607
  541   2HG   LYS  88           HG1      LYS  88   5.893 -11.410  -0.344
  542   1HD   LYS  88           HD2      LYS  88   5.652 -10.802   1.778
  543   2HD   LYS  88           HD1      LYS  88   5.125  -9.205   1.254
  544   1HE   LYS  88           HE2      LYS  88   3.430 -11.621   1.826
  545   2HE   LYS  88           HE1      LYS  88   3.434 -10.072   2.666
  546   1HZ   LYS  88           HZ2      LYS  88   2.736  -9.116   0.427
  547   2HZ   LYS  88           HZ1      LYS  88   2.361 -10.706  -0.008
  548   3HZ   LYS  88           HZ3      LYS  88   1.577  -9.979   1.303
  549    H    ASN  89           HN       ASN  89   4.928  -6.216  -1.447
  550    HA   ASN  89           HA       ASN  89   4.412  -5.446  -4.090
  551   1HB   ASN  89           HB2      ASN  89   5.611  -3.422  -3.607
  552   2HB   ASN  89           HB1      ASN  89   4.721  -3.881  -2.161
  553   1HD2  ASN  89          1HD2      ASN  89   6.420  -2.236  -1.447
  554   2HD2  ASN  89          2HD2      ASN  89   7.894  -2.900  -0.839
  555    H    SER  90           HN       SER  90   7.031  -7.209  -2.719
  556    HA   SER  90           HA       SER  90   8.890  -6.695  -4.851
  557   1HB   SER  90           HB2      SER  90  10.122  -7.356  -3.044
  558   2HB   SER  90           HB1      SER  90   8.822  -8.358  -2.398
  559    HG   SER  90           HG       SER  90   9.540 -10.027  -3.510
  560    H    CYS  91           HN       CYS  91   6.126  -8.567  -4.489
  561    HA   CYS  91           HA       CYS  91   6.919 -10.628  -6.368
  562   1HB   CYS  91           HB2      CYS  91   4.419 -10.155  -4.756
  563   2HB   CYS  91           HB1      CYS  91   4.540 -11.429  -5.962
  564    H    LYS  92           HN       LYS  92   6.875  -7.988  -7.430
  565    HA   LYS  92           HA       LYS  92   4.486  -7.962  -9.123
  566   1HB   LYS  92           HB2      LYS  92   6.712  -5.944  -8.931
  567   2HB   LYS  92           HB1      LYS  92   5.259  -5.768  -9.890
  568   1HG   LYS  92           HG2      LYS  92   3.904  -5.565  -7.956
  569   2HG   LYS  92           HG1      LYS  92   5.234  -6.045  -6.899
  570   1HD   LYS  92           HD2      LYS  92   6.392  -3.953  -8.077
  571   2HD   LYS  92           HD1      LYS  92   4.711  -3.448  -8.245
  572   1HE   LYS  92           HE2      LYS  92   4.916  -4.336  -5.627
  573   2HE   LYS  92           HE1      LYS  92   6.433  -3.483  -5.918
  574   1HZ   LYS  92           HZ2      LYS  92   4.695  -1.770  -6.971
  575   2HZ   LYS  92           HZ1      LYS  92   3.720  -2.449  -5.767
  576   3HZ   LYS  92           HZ3      LYS  92   5.186  -1.712  -5.353
  577    H    GLN  93           HN       GLN  93   7.947  -7.337  -9.616
  578    HA   GLN  93           HA       GLN  93   8.023  -9.282 -11.773
  579   1HB   GLN  93           HB2      GLN  93   8.230  -6.326 -12.235
  580   2HB   GLN  93           HB1      GLN  93   9.075  -7.453 -13.288
  581   1HG   GLN  93           HG2      GLN  93   6.973  -8.525 -13.860
  582   2HG   GLN  93           HG1      GLN  93   6.111  -7.442 -12.768
  583   1HE2  GLN  93          1HE2      GLN  93   5.963  -5.228 -13.305
  584   2HE2  GLN  93          2HE2      GLN  93   6.142  -4.693 -14.938
  585    H    GLN  94           HN       GLN  94  10.192  -6.528 -11.505
  586    HA   GLN  94           HA       GLN  94  12.376  -8.371 -10.919
  587   1HB   GLN  94           HB2      GLN  94  12.094  -5.830 -12.316
  588   2HB   GLN  94           HB1      GLN  94  13.464  -5.833 -11.214
  589   1HG   GLN  94           HG2      GLN  94  14.550  -7.517 -12.355
  590   2HG   GLN  94           HG1      GLN  94  13.064  -8.113 -13.096
  591   1HE2  GLN  94          1HE2      GLN  94  12.002  -6.526 -14.607
  592   2HE2  GLN  94          2HE2      GLN  94  13.042  -5.645 -15.668
  593    HA   PRO  95           HA       PRO  95  13.038  -6.937  -6.797
  594   1HB   PRO  95           HB2      PRO  95  15.701  -6.775  -6.539
  595   2HB   PRO  95           HB1      PRO  95  14.891  -8.321  -6.818
  596   1HG   PRO  95           HG2      PRO  95  16.334  -6.561  -8.760
  597   2HG   PRO  95           HG1      PRO  95  16.379  -8.326  -8.602
  598   1HD   PRO  95           HD2      PRO  95  14.860  -6.985 -10.456
  599   2HD   PRO  95           HD1      PRO  95  14.474  -8.602  -9.838
  600    H    GLN  96           HN       GLN  96  12.253  -4.761  -8.302
  601    HA   GLN  96           HA       GLN  96  12.328  -2.498  -8.500
  602   1HB   GLN  96           HB2      GLN  96  12.180  -1.466  -6.476
  603   2HB   GLN  96           HB1      GLN  96  12.112  -3.131  -5.923
  604   1HG   GLN  96           HG2      GLN  96  14.783  -2.704  -5.881
  605   2HG   GLN  96           HG1      GLN  96  14.185  -1.085  -5.532
  606   1HE2  GLN  96          1HE2      GLN  96  15.266  -3.770  -4.121
  607   2HE2  GLN  96          2HE2      GLN  96  14.416  -3.707  -2.619
  608    H    ASN  97           HN       ASN  97  14.743  -3.960  -9.410
  609    HA   ASN  97           HA       ASN  97  17.047  -2.443  -8.762
  610   1HB   ASN  97           HB2      ASN  97  18.110  -3.584 -10.630
  611   2HB   ASN  97           HB1      ASN  97  17.146  -4.729  -9.702
  612   1HD2  ASN  97          1HD2      ASN  97  17.280  -2.825 -12.638
  613   2HD2  ASN  97          2HD2      ASN  97  16.157  -3.783 -13.536
  614    H    ASN  98           HN       ASN  98  14.781  -2.322 -11.492
  615    HA   ASN  98           HA       ASN  98  15.327   0.487 -11.854
  616   1HB   ASN  98           HB2      ASN  98  16.169  -1.555 -13.905
  617   2HB   ASN  98           HB1      ASN  98  15.821   0.115 -14.342
  618   1HD2  ASN  98          1HD2      ASN  98  18.307  -1.642 -14.203
  619   2HD2  ASN  98          2HD2      ASN  98  19.458  -0.653 -13.377
  620    H    ASN  99           HN       ASN  99  13.938   1.434 -13.576
  621    HA   ASN  99           HA       ASN  99  11.329   0.134 -13.519
  622   1HB   ASN  99           HB2      ASN  99  12.266   2.925 -14.127
  623   2HB   ASN  99           HB1      ASN  99  10.648   2.401 -14.582
  624   1HD2  ASN  99          1HD2      ASN  99  10.309   4.302 -13.052
  625   2HD2  ASN  99          2HD2      ASN  99  10.072   3.900 -11.388
  626    H    GLN 100           HN       GLN 100   9.963   0.485 -15.566
  627    HA   GLN 100           HA       GLN 100  11.541   0.162 -18.009
  628   1HB   GLN 100           HB2      GLN 100  10.242  -1.803 -18.684
  629   2HB   GLN 100           HB1      GLN 100  11.130  -2.107 -17.198
  630   1HG   GLN 100           HG2      GLN 100   9.249  -2.258 -15.935
  631   2HG   GLN 100           HG1      GLN 100   8.340  -1.143 -16.953
  632   1HE2  GLN 100          1HE2      GLN 100   8.038  -2.047 -19.265
  633   2HE2  GLN 100          2HE2      GLN 100   7.480  -3.680 -19.346

  No H/Q in entry =         633
  Start of MODEL    3
    1    H1   ALA   1           HT2      ALA   1   5.097   4.909  -8.206
    2    H2   ALA   1           HT1      ALA   1   6.063   3.700  -7.462
    3    H3   ALA   1           HT3      ALA   1   4.357   3.642  -7.316
    4    HA   ALA   1           HA       ALA   1   4.995   4.460  -5.323
    5   1HB   ALA   1           HB1      ALA   1   7.148   5.781  -6.901
    6   2HB   ALA   1           HB3      ALA   1   6.669   6.478  -5.353
    7   3HB   ALA   1           HB2      ALA   1   7.256   4.817  -5.428
    8    H    MET   2           HN       MET   2   3.078   5.236  -7.430
    9    HA   MET   2           HA       MET   2   2.127   7.650  -6.160
   10   1HB   MET   2           HB2      MET   2   1.794   8.758  -8.456
   11   2HB   MET   2           HB1      MET   2   3.396   8.816  -7.736
   12   1HG   MET   2           HG2      MET   2   3.307   6.467  -9.269
   13   2HG   MET   2           HG1      MET   2   2.568   7.730 -10.249
   14   1HE   MET   2           HE3      MET   2   5.238   8.285  -7.483
   15   2HE   MET   2           HE2      MET   2   5.802   6.758  -8.159
   16   3HE   MET   2           HE1      MET   2   6.755   8.225  -8.380
   17    H    ALA   3           HN       ALA   3   0.381   6.345  -5.557
   18    HA   ALA   3           HA       ALA   3  -1.715   6.205  -7.529
   19   1HB   ALA   3           HB3      ALA   3  -1.807   4.013  -7.917
   20   2HB   ALA   3           HB1      ALA   3  -1.508   3.609  -6.226
   21   3HB   ALA   3           HB2      ALA   3  -0.157   3.971  -7.300
   22    H    CYS   4           HN       CYS   4  -1.248   7.555  -4.976
   23    HA   CYS   4           HA       CYS   4  -2.777   6.305  -2.936
   24   1HB   CYS   4           HB2      CYS   4  -2.862   8.671  -1.981
   25   2HB   CYS   4           HB1      CYS   4  -1.266   7.963  -2.203
   26    H    TRP   5           HN       TRP   5  -4.869   6.823  -2.189
   27    HA   TRP   5           HA       TRP   5  -6.728   7.407  -4.325
   28   1HB   TRP   5           HB2      TRP   5  -8.444   6.975  -2.483
   29   2HB   TRP   5           HB1      TRP   5  -7.403   5.624  -2.921
   30    HD1  TRP   5           HD1      TRP   5  -5.876   4.635  -1.061
   31    HE1  TRP   5           HE1      TRP   5  -5.562   5.107   1.453
   32    HE3  TRP   5           HE3      TRP   5  -8.508   8.964  -0.762
   33    HZ2  TRP   5           HZ2      TRP   5  -6.353   7.088   3.318
   34    HZ3  TRP   5           HZ3      TRP   5  -8.698  10.100   1.410
   35    HH2  TRP   5           HH2      TRP   5  -7.640   9.182   3.408
   36    H    ALA   6           HN       ALA   6  -5.265   9.083  -1.692
   37    HA   ALA   6           HA       ALA   6  -7.213  11.068  -1.231
   38   1HB   ALA   6           HB2      ALA   6  -4.262  11.545  -0.957
   39   2HB   ALA   6           HB1      ALA   6  -5.587  12.196   0.014
   40   3HB   ALA   6           HB3      ALA   6  -5.137  10.495   0.157
   41    H    GLN   7           HN       GLN   7  -4.847  10.640  -3.746
   42    HA   GLN   7           HA       GLN   7  -4.774  13.333  -4.651
   43   1HB   GLN   7           HB2      GLN   7  -3.705  12.447  -6.648
   44   2HB   GLN   7           HB1      GLN   7  -3.021  11.701  -5.209
   45   1HG   GLN   7           HG2      GLN   7  -3.381   9.734  -6.151
   46   2HG   GLN   7           HG1      GLN   7  -5.110  10.025  -5.959
   47   1HE2  GLN   7          1HE2      GLN   7  -2.419  10.057  -8.148
   48   2HE2  GLN   7          2HE2      GLN   7  -3.339  10.214  -9.602
   49    H    SER   8           HN       SER   8  -7.069  10.803  -4.988
   50    HA   SER   8           HA       SER   8  -8.257  11.419  -7.432
   51   1HB   SER   8           HB2      SER   8  -9.870  10.582  -5.031
   52   2HB   SER   8           HB1      SER   8 -10.097  10.137  -6.722
   53    HG   SER   8           HG       SER   8  -8.707   8.858  -4.850
   54    H    GLN   9           HN       GLN   9  -8.347  13.085  -4.393
   55    HA   GLN   9           HA       GLN   9 -10.418  14.898  -5.426
   56   1HB   GLN   9           HB2      GLN   9 -10.503  15.673  -2.985
   57   2HB   GLN   9           HB1      GLN   9 -11.171  14.091  -3.357
   58   1HG   GLN   9           HG2      GLN   9  -8.336  14.310  -2.479
   59   2HG   GLN   9           HG1      GLN   9  -9.629  14.432  -1.288
   60   1HE2  GLN   9          1HE2      GLN   9 -10.845  12.644  -0.794
   61   2HE2  GLN   9          2HE2      GLN   9 -10.430  11.050  -1.313
   62    H    GLY  10           HN       GLY  10  -7.094  14.657  -4.490
   63   1HA   GLY  10           HA1      GLY  10  -6.806  17.576  -4.455
   64   2HA   GLY  10           HA2      GLY  10  -5.966  16.680  -5.710
   65    H    TYR  11           HN       TYR  11  -6.344  15.301  -2.535
   66    HA   TYR  11           HA       TYR  11  -3.921  16.290  -1.432
   67   1HB   TYR  11           HB2      TYR  11  -5.770  14.034  -0.727
   68   2HB   TYR  11           HB1      TYR  11  -4.234  14.224   0.111
   69    HD1  TYR  11           HD1      TYR  11  -3.785  16.557   1.178
   70    HD2  TYR  11           HD2      TYR  11  -7.641  15.178   0.020
   71    HE1  TYR  11           HE1      TYR  11  -4.819  18.192   2.692
   72    HE2  TYR  11           HE2      TYR  11  -8.685  16.809   1.528
   73    HH   TYR  11           HH       TYR  11  -8.157  18.118   3.481
   74    H    ASN  12           HN       ASN  12  -1.879  15.635  -1.684
   75    HA   ASN  12           HA       ASN  12  -1.295  13.582  -3.616
   76   1HB   ASN  12           HB2      ASN  12   1.095  14.197  -3.098
   77   2HB   ASN  12           HB1      ASN  12   0.094  15.527  -3.671
   78   1HD2  ASN  12          1HD2      ASN  12   2.430  14.827  -1.584
   79   2HD2  ASN  12          2HD2      ASN  12   2.091  15.960  -0.324
   80    H    CYS  13           HN       CYS  13   0.345  11.889  -3.163
   81    HA   CYS  13           HA       CYS  13  -0.491  10.257  -1.015
   82   1HB   CYS  13           HB2      CYS  13   2.113   9.832  -2.445
   83   2HB   CYS  13           HB1      CYS  13   0.962   8.639  -1.856
   84    H    CYS  14           HN       CYS  14   0.691   9.529   0.809
   85    HA   CYS  14           HA       CYS  14   2.514  11.566   1.860
   86   1HB   CYS  14           HB2      CYS  14   0.327  10.249   2.980
   87   2HB   CYS  14           HB1      CYS  14   1.722   9.499   3.746
   88    H    ASN  15           HN       ASN  15   4.604  11.169   1.623
   89    HA   ASN  15           HA       ASN  15   5.844   8.853   0.857
   90   1HB   ASN  15           HB2      ASN  15   6.986  10.998   0.872
   91   2HB   ASN  15           HB1      ASN  15   6.907  11.067   2.628
   92   1HD2  ASN  15          1HD2      ASN  15   8.417  10.049   3.818
   93   2HD2  ASN  15          2HD2      ASN  15   9.760   9.188   3.153
   94    H    ASN  16           HN       ASN  16   5.856   6.908   1.771
   95    HA   ASN  16           HA       ASN  16   6.025   5.235   3.301
   96   1HB   ASN  16           HB2      ASN  16   7.118   7.477   5.005
   97   2HB   ASN  16           HB1      ASN  16   6.984   5.822   5.586
   98   1HD2  ASN  16          1HD2      ASN  16   8.110   7.471   2.656
   99   2HD2  ASN  16          2HD2      ASN  16   9.596   6.602   2.533
  100    HA   PRO  17           HA       PRO  17   1.885   6.772   4.904
  101   1HB   PRO  17           HB2      PRO  17   0.509   4.645   3.841
  102   2HB   PRO  17           HB1      PRO  17   0.731   6.194   3.021
  103   1HG   PRO  17           HG2      PRO  17   2.234   3.632   2.677
  104   2HG   PRO  17           HG1      PRO  17   1.690   4.788   1.447
  105   1HD   PRO  17           HD2      PRO  17   4.243   4.703   2.286
  106   2HD   PRO  17           HD1      PRO  17   3.453   6.228   1.839
  107    H    SER  18           HN       SER  18   3.779   3.890   5.053
  108    HA   SER  18           HA       SER  18   2.174   2.625   7.096
  109   1HB   SER  18           HB2      SER  18   3.882   1.613   5.268
  110   2HB   SER  18           HB1      SER  18   4.967   1.734   6.653
  111    HG   SER  18           HG       SER  18   3.789   0.288   7.729
  112    H    SER  19           HN       SER  19   4.113   5.250   7.148
  113    HA   SER  19           HA       SER  19   4.717   4.883   9.984
  114   1HB   SER  19           HB2      SER  19   6.753   4.416   8.474
  115   2HB   SER  19           HB1      SER  19   6.740   6.148   8.139
  116    HG   SER  19           HG       SER  19   6.825   5.043  10.751
  117    H    THR  20           HN       THR  20   2.697   6.366   8.420
  118    HA   THR  20           HA       THR  20   3.448   9.137   8.974
  119    HB   THR  20           HB       THR  20   1.429   7.817   7.188
  120    HG1  THR  20           HG1      THR  20   3.109  10.023   6.657
  121   1HG2  THR  20          3HG2      THR  20   1.343  10.695   8.036
  122   2HG2  THR  20          2HG2      THR  20   0.478  10.010   6.662
  123   3HG2  THR  20          1HG2      THR  20   0.106   9.467   8.299
  124    H    LYS  21           HN       LYS  21   2.126  10.476  10.224
  125    HA   LYS  21           HA       LYS  21   0.555   9.070  12.235
  126   1HB   LYS  21           HB2      LYS  21   2.254  10.772  12.897
  127   2HB   LYS  21           HB1      LYS  21   1.296  11.999  12.079
  128   1HG   LYS  21           HG2      LYS  21  -0.073  10.352  14.124
  129   2HG   LYS  21           HG1      LYS  21   1.108  11.537  14.686
  130   1HD   LYS  21           HD2      LYS  21  -0.153  13.171  13.117
  131   2HD   LYS  21           HD1      LYS  21  -1.450  11.976  13.191
  132   1HE   LYS  21           HE2      LYS  21  -2.097  13.119  15.013
  133   2HE   LYS  21           HE1      LYS  21  -0.811  12.221  15.818
  134   1HZ   LYS  21           HZ3      LYS  21   0.627  14.211  14.980
  135   2HZ   LYS  21           HZ2      LYS  21  -0.856  15.022  14.946
  136   3HZ   LYS  21           HZ1      LYS  21  -0.291  14.355  16.394
  137    H    VAL  22           HN       VAL  22  -1.568   8.815  11.913
  138    HA   VAL  22           HA       VAL  22  -2.965  10.518  10.057
  139    HB   VAL  22           HB       VAL  22  -3.878   8.051  11.547
  140   1HG1  VAL  22          3HG1      VAL  22  -5.709   9.629  10.939
  141   2HG1  VAL  22          2HG1      VAL  22  -5.238   9.446   9.250
  142   3HG1  VAL  22          1HG1      VAL  22  -5.825   8.053  10.157
  143   1HG2  VAL  22          2HG2      VAL  22  -2.061   7.795   9.807
  144   2HG2  VAL  22          1HG2      VAL  22  -3.519   6.835   9.559
  145   3HG2  VAL  22          3HG2      VAL  22  -3.260   8.303   8.617
  146    H    GLU  23           HN       GLU  23  -3.334  12.424  11.042
  147    HA   GLU  23           HA       GLU  23  -4.506  12.472  13.710
  148   1HB   GLU  23           HB2      GLU  23  -4.494  15.071  13.025
  149   2HB   GLU  23           HB1      GLU  23  -3.101  14.263  13.723
  150   1HG   GLU  23           HG2      GLU  23  -2.284  15.522  11.923
  151   2HG   GLU  23           HG1      GLU  23  -2.310  13.857  11.353
  152    H    TYR  24           HN       TYR  24  -5.579  11.945  10.698
  153    HA   TYR  24           HA       TYR  24  -8.233  13.049  11.355
  154   1HB   TYR  24           HB2      TYR  24  -6.946  14.469   9.648
  155   2HB   TYR  24           HB1      TYR  24  -7.193  13.127   8.535
  156    HD1  TYR  24           HD1      TYR  24  -8.578  16.114   9.864
  157    HD2  TYR  24           HD2      TYR  24  -9.642  12.355   8.176
  158    HE1  TYR  24           HE1      TYR  24 -10.801  17.001   9.299
  159    HE2  TYR  24           HE2      TYR  24 -11.869  13.231   7.606
  160    HH   TYR  24           HH       TYR  24 -12.625  16.553   7.751
  161    H    THR  25           HN       THR  25 -10.010  11.927  10.508
  162    HA   THR  25           HA       THR  25  -9.709   9.665   8.807
  163    HB   THR  25           HB       THR  25 -10.547   8.965  11.611
  164    HG1  THR  25           HG1      THR  25  -8.472   9.453  11.957
  165   1HG2  THR  25          3HG2      THR  25 -10.581   7.564   9.189
  166   2HG2  THR  25          2HG2      THR  25  -9.248   6.893  10.132
  167   3HG2  THR  25          1HG2      THR  25 -10.875   6.934  10.811
  168    H    ASP  26           HN       ASP  26 -11.619   9.071   7.921
  169    HA   ASP  26           HA       ASP  26 -14.139   9.652   9.168
  170   1HB   ASP  26           HB2      ASP  26 -13.102  11.798   7.927
  171   2HB   ASP  26           HB1      ASP  26 -13.880  11.031   6.547
  172    H    ALA  27           HN       ALA  27 -15.430   9.817   6.447
  173    HA   ALA  27           HA       ALA  27 -15.507   6.957   5.991
  174   1HB   ALA  27           HB1      ALA  27 -17.499   7.297   4.865
  175   2HB   ALA  27           HB3      ALA  27 -17.512   8.604   6.049
  176   3HB   ALA  27           HB2      ALA  27 -17.063   8.935   4.376
  177    H    SER  28           HN       SER  28 -13.416   9.191   4.981
  178    HA   SER  28           HA       SER  28 -13.301   8.291   2.196
  179   1HB   SER  28           HB2      SER  28 -13.103  10.773   2.945
  180   2HB   SER  28           HB1      SER  28 -11.461  10.334   3.414
  181    HG   SER  28           HG       SER  28 -12.576   9.961   0.829
  182    H    GLY  29           HN       GLY  29 -11.674   8.075   5.260
  183   1HA   GLY  29           HA1      GLY  29  -9.413   6.658   4.040
  184   2HA   GLY  29           HA2      GLY  29 -10.416   5.805   5.204
  185    H    GLN  30           HN       GLN  30  -7.578   7.351   4.906
  186    HA   GLN  30           HA       GLN  30  -7.651   8.579   7.568
  187   1HB   GLN  30           HB2      GLN  30  -5.527   6.617   6.693
  188   2HB   GLN  30           HB1      GLN  30  -5.642   7.413   8.255
  189   1HG   GLN  30           HG2      GLN  30  -7.818   6.242   8.601
  190   2HG   GLN  30           HG1      GLN  30  -7.493   5.336   7.124
  191   1HE2  GLN  30          1HE2      GLN  30  -6.169   6.093  10.306
  192   2HE2  GLN  30          2HE2      GLN  30  -5.346   4.589  10.522
  193    H    TRP  31           HN       TRP  31  -6.425  10.373   7.782
  194    HA   TRP  31           HA       TRP  31  -4.540  11.018   5.615
  195   1HB   TRP  31           HB2      TRP  31  -6.128  13.177   6.957
  196   2HB   TRP  31           HB1      TRP  31  -5.327  13.199   5.392
  197    HD1  TRP  31           HD1      TRP  31  -8.377  11.440   7.031
  198    HE1  TRP  31           HE1      TRP  31 -10.199  11.192   5.232
  199    HE3  TRP  31           HE3      TRP  31  -5.817  13.335   3.038
  200    HZ2  TRP  31           HZ2      TRP  31 -10.503  11.737   2.468
  201    HZ3  TRP  31           HZ3      TRP  31  -6.941  13.430   0.852
  202    HH2  TRP  31           HH2      TRP  31  -9.235  12.649   0.576
  203    H    GLY  32           HN       GLY  32  -2.961  12.715   6.239
  204   1HA   GLY  32           HA1      GLY  32  -1.530  12.020   8.504
  205   2HA   GLY  32           HA2      GLY  32  -2.527  13.399   8.950
  206    H    VAL  33           HN       VAL  33  -0.596  14.623   9.271
  207    HA   VAL  33           HA       VAL  33   0.470  15.661   6.742
  208    HB   VAL  33           HB       VAL  33  -0.511  17.416   7.985
  209   1HG1  VAL  33          2HG1      VAL  33   0.993  16.357  10.368
  210   2HG1  VAL  33          1HG1      VAL  33   0.140  17.900  10.341
  211   3HG1  VAL  33          3HG1      VAL  33  -0.753  16.394  10.127
  212   1HG2  VAL  33          3HG2      VAL  33   1.673  17.967   7.012
  213   2HG2  VAL  33          2HG2      VAL  33   1.354  18.903   8.473
  214   3HG2  VAL  33          1HG2      VAL  33   2.456  17.526   8.531
  215    H    GLN  34           HN       GLN  34   2.204  14.452   6.234
  216    HA   GLN  34           HA       GLN  34   4.274  14.066   8.291
  217   1HB   GLN  34           HB2      GLN  34   3.385  11.999   7.221
  218   2HB   GLN  34           HB1      GLN  34   3.942  12.599   5.665
  219   1HG   GLN  34           HG2      GLN  34   6.054  11.996   6.051
  220   2HG   GLN  34           HG1      GLN  34   6.014  12.560   7.720
  221   1HE2  GLN  34          1HE2      GLN  34   5.456   9.891   5.577
  222   2HE2  GLN  34          2HE2      GLN  34   5.335   8.667   6.793
  223    H    ASN  35           HN       ASN  35   6.204  15.038   8.057
  224    HA   ASN  35           HA       ASN  35   7.848  16.370   7.219
  225   1HB   ASN  35           HB2      ASN  35   6.826  15.038   4.731
  226   2HB   ASN  35           HB1      ASN  35   8.029  16.320   4.607
  227   1HD2  ASN  35          1HD2      ASN  35   7.927  13.268   4.264
  228   2HD2  ASN  35          2HD2      ASN  35   9.352  12.732   5.082
  229    H    GLY  36           HN       GLY  36   5.176  17.414   7.721
  230   1HA   GLY  36           HA1      GLY  36   5.510  20.029   6.737
  231   2HA   GLY  36           HA2      GLY  36   4.060  19.408   7.513
  232    H    GLN  37           HN       GLN  37   3.281  17.450   5.737
  233    HA   GLN  37           HA       GLN  37   2.248  19.079   3.573
  234   1HB   GLN  37           HB2      GLN  37   3.919  16.613   3.055
  235   2HB   GLN  37           HB1      GLN  37   2.917  17.402   1.844
  236   1HG   GLN  37           HG2      GLN  37   5.228  18.678   3.291
  237   2HG   GLN  37           HG1      GLN  37   5.283  18.012   1.660
  238   1HE2  GLN  37          1HE2      GLN  37   3.006  18.887   0.535
  239   2HE2  GLN  37          2HE2      GLN  37   2.978  20.612   0.466
  240    H    TRP  38           HN       TRP  38   0.174  18.566   3.191
  241    HA   TRP  38           HA       TRP  38  -1.116  16.509   4.660
  242   1HB   TRP  38           HB2      TRP  38  -1.999  18.365   2.462
  243   2HB   TRP  38           HB1      TRP  38  -3.067  17.101   3.063
  244    HD1  TRP  38           HD1      TRP  38  -2.082  20.593   3.707
  245    HE1  TRP  38           HE1      TRP  38  -3.055  21.413   5.946
  246    HE3  TRP  38           HE3      TRP  38  -3.555  16.099   5.646
  247    HZ2  TRP  38           HZ2      TRP  38  -4.286  20.300   8.230
  248    HZ3  TRP  38           HZ3      TRP  38  -4.625  16.063   7.863
  249    HH2  TRP  38           HH2      TRP  38  -4.982  18.121   9.126
  250    H    CYS  39           HN       CYS  39  -1.784  14.490   4.060
  251    HA   CYS  39           HA       CYS  39  -1.945  13.567   1.407
  252   1HB   CYS  39           HB2      CYS  39   0.075  11.878   1.847
  253   2HB   CYS  39           HB1      CYS  39   0.294  13.415   1.027
  254    H    GLY  40           HN       GLY  40  -3.009  11.655   1.305
  255   1HA   GLY  40           HA1      GLY  40  -4.343   9.951   2.093
  256   2HA   GLY  40           HA2      GLY  40  -4.127  10.609   3.708
  257    H    ILE  41           HN       ILE  41  -4.045   8.343   4.370
  258    HA   ILE  41           HA       ILE  41  -1.299   7.340   4.181
  259    HB   ILE  41           HB       ILE  41  -3.460   7.039   6.225
  260   1HG1  ILE  41          2HG1      ILE  41  -1.530   7.556   7.728
  261   2HG1  ILE  41          1HG1      ILE  41  -0.521   7.715   6.293
  262   1HG2  ILE  41          2HG2      ILE  41  -1.269   5.076   5.692
  263   2HG2  ILE  41          1HG2      ILE  41  -1.861   5.345   7.332
  264   3HG2  ILE  41          3HG2      ILE  41  -2.965   4.780   6.077
  265   1HD1  ILE  41          2HD1      ILE  41  -3.005   9.298   6.350
  266   2HD1  ILE  41          1HD1      ILE  41  -1.720   9.779   7.456
  267   3HD1  ILE  41          3HD1      ILE  41  -1.408   9.704   5.721
  268    H    ASP  42           HN       ASP  42  -1.225   6.159   2.343
  269    HA   ASP  42           HA       ASP  42  -3.049   3.850   2.178
  270   1HB   ASP  42           HB2      ASP  42  -2.867   5.827   0.299
  271   2HB   ASP  42           HB1      ASP  42  -1.691   4.664  -0.310
  272    H    TYR  43           HN       TYR  43  -1.720   2.427   3.277
  273    HA   TYR  43           HA       TYR  43   1.004   2.142   3.111
  274   1HB   TYR  43           HB2      TYR  43  -0.975  -0.135   3.323
  275   2HB   TYR  43           HB1      TYR  43   0.710  -0.165   3.833
  276    HD1  TYR  43           HD1      TYR  43  -1.325  -0.955   5.725
  277    HD2  TYR  43           HD2      TYR  43   0.084   2.953   4.796
  278    HE1  TYR  43           HE1      TYR  43  -1.990  -0.186   7.964
  279    HE2  TYR  43           HE2      TYR  43  -0.578   3.733   7.034
  280    HH   TYR  43           HH       TYR  43  -0.915   2.505   9.382
  281    H    SER  44           HN       SER  44  -1.359   1.352   0.714
  282    HA   SER  44           HA       SER  44   0.734   0.129  -0.957
  283   1HB   SER  44           HB2      SER  44  -2.256  -0.258  -0.948
  284   2HB   SER  44           HB1      SER  44  -1.246  -0.743  -2.310
  285    HG   SER  44           HG       SER  44  -0.004  -1.919  -0.579
  286    H    TYR  45           HN       TYR  45   0.829   2.832  -0.846
  287    HA   TYR  45           HA       TYR  45  -0.760   3.849  -3.059
  288   1HB   TYR  45           HB2      TYR  45  -0.604   5.830  -2.015
  289   2HB   TYR  45           HB1      TYR  45   0.214   5.001  -0.696
  290    HD1  TYR  45           HD1      TYR  45   2.496   5.391  -0.252
  291    HD2  TYR  45           HD2      TYR  45   0.772   6.801  -3.864
  292    HE1  TYR  45           HE1      TYR  45   4.560   6.608  -0.755
  293    HE2  TYR  45           HE2      TYR  45   2.821   8.010  -4.393
  294    HH   TYR  45           HH       TYR  45   5.565   7.524  -3.412
  295    H    GLY  46           HN       GLY  46  -0.013   3.746  -5.051
  296   1HA   GLY  46           HA1      GLY  46   2.723   4.436  -5.610
  297   2HA   GLY  46           HA2      GLY  46   1.478   4.120  -6.800
  298    H    GLN  47           HN       GLN  47   3.338   2.390  -4.327
  299    HA   GLN  47           HA       GLN  47   4.746   0.723  -5.948
  300   1HB   GLN  47           HB2      GLN  47   3.583  -0.187  -3.319
  301   2HB   GLN  47           HB1      GLN  47   5.092  -0.702  -4.064
  302   1HG   GLN  47           HG2      GLN  47   5.228   2.099  -3.804
  303   2HG   GLN  47           HG1      GLN  47   4.612   1.468  -2.276
  304   1HE2  GLN  47          1HE2      GLN  47   7.335   2.316  -3.824
  305   2HE2  GLN  47          2HE2      GLN  47   8.480   1.309  -3.013
  306    H    ASN  48           HN       ASN  48   4.264  -0.737  -7.393
  307    HA   ASN  48           HA       ASN  48   1.632  -1.681  -7.845
  308   1HB   ASN  48           HB2      ASN  48   2.719  -3.124  -9.574
  309   2HB   ASN  48           HB1      ASN  48   3.132  -1.417  -9.709
  310   1HD2  ASN  48          1HD2      ASN  48   5.211  -0.767  -9.401
  311   2HD2  ASN  48          2HD2      ASN  48   6.531  -1.860  -9.188
  312    H    GLN  49           HN       GLN  49   1.431  -4.189  -8.326
  313    HA   GLN  49           HA       GLN  49   1.439  -5.454  -5.796
  314   1HB   GLN  49           HB2      GLN  49  -0.146  -6.658  -6.794
  315   2HB   GLN  49           HB1      GLN  49   0.227  -5.872  -8.319
  316   1HG   GLN  49           HG2      GLN  49   2.002  -7.638  -8.650
  317   2HG   GLN  49           HG1      GLN  49   1.305  -8.472  -7.264
  318   1HE2  GLN  49          1HE2      GLN  49  -0.835  -9.263  -7.421
  319   2HE2  GLN  49          2HE2      GLN  49  -1.544  -9.600  -8.959
  320    H    GLY  50           HN       GLY  50   4.066  -4.882  -7.605
  321   1HA   GLY  50           HA1      GLY  50   6.208  -5.693  -7.453
  322   2HA   GLY  50           HA2      GLY  50   5.471  -7.161  -8.074
  323    H    ASN  51           HN       ASN  51   4.487  -5.976  -4.970
  324    HA   ASN  51           HA       ASN  51   4.420  -7.144  -2.989
  325   1HB   ASN  51           HB2      ASN  51   5.062  -9.183  -4.573
  326   2HB   ASN  51           HB1      ASN  51   6.607  -9.017  -3.744
  327   1HD2  ASN  51          1HD2      ASN  51   6.807 -10.257  -2.038
  328   2HD2  ASN  51          2HD2      ASN  51   5.533 -10.782  -0.996
  329    H    GLU  52           HN       GLU  52   5.729  -4.848  -3.210
  330    HA   GLU  52           HA       GLU  52   8.428  -5.152  -2.164
  331   1HB   GLU  52           HB2      GLU  52   6.827  -2.651  -2.745
  332   2HB   GLU  52           HB1      GLU  52   8.530  -2.702  -2.308
  333   1HG   GLU  52           HG2      GLU  52   7.886  -4.369  -4.606
  334   2HG   GLU  52           HG1      GLU  52   7.519  -2.663  -4.853
  335    H    SER  53           HN       SER  53   5.210  -4.525  -1.063
  336    HA   SER  53           HA       SER  53   6.124  -4.561   1.689
  337   1HB   SER  53           HB2      SER  53   4.963  -2.161   0.371
  338   2HB   SER  53           HB1      SER  53   4.405  -2.532   2.001
  339    HG   SER  53           HG       SER  53   6.965  -1.824   1.108
  340    H    CYS  54           HN       CYS  54   4.876  -5.979   2.703
  341    HA   CYS  54           HA       CYS  54   2.170  -6.464   1.682
  342   1HB   CYS  54           HB2      CYS  54   2.333  -8.556   3.124
  343   2HB   CYS  54           HB1      CYS  54   3.391  -8.483   1.720
  344    H    THR  55           HN       THR  55   0.708  -7.376   3.587
  345    HA   THR  55           HA       THR  55   0.491  -5.189   5.482
  346    HB   THR  55           HB       THR  55  -1.410  -7.486   4.962
  347    HG1  THR  55           HG1      THR  55  -2.518  -6.047   3.674
  348   1HG2  THR  55          3HG2      THR  55  -1.424  -5.446   6.957
  349   2HG2  THR  55          2HG2      THR  55  -2.771  -5.199   5.844
  350   3HG2  THR  55          1HG2      THR  55  -2.584  -6.742   6.675
  351    H    GLY  56           HN       GLY  56   0.434  -5.486   7.715
  352   1HA   GLY  56           HA1      GLY  56   1.161  -8.160   8.690
  353   2HA   GLY  56           HA2      GLY  56   0.510  -6.856   9.674
  354    H    ASN  57           HN       ASN  57   2.611  -5.265   7.841
  355    HA   ASN  57           HA       ASN  57   5.095  -6.071   9.056
  356   1HB   ASN  57           HB2      ASN  57   4.467  -3.541   7.527
  357   2HB   ASN  57           HB1      ASN  57   6.068  -4.184   7.875
  358   1HD2  ASN  57          1HD2      ASN  57   5.100  -3.580   5.312
  359   2HD2  ASN  57          2HD2      ASN  57   5.010  -5.049   4.410
  360    H    GLY  58           HN       GLY  58   2.541  -4.719  10.457
  361   1HA   GLY  58           HA1      GLY  58   2.807  -2.447  11.697
  362   2HA   GLY  58           HA2      GLY  58   4.213  -3.260  12.370
  363    H    SER  59           HN       SER  59   2.554  -5.849  12.162
  364    HA   SER  59           HA       SER  59   1.532  -5.707  14.845
  365   1HB   SER  59           HB2      SER  59  -0.430  -6.305  12.621
  366   2HB   SER  59           HB1      SER  59  -0.772  -6.272  14.350
  367    HG   SER  59           HG       SER  59  -0.257  -4.142  12.592
  368    H    TYR  60           HN       TYR  60   0.886  -7.740  11.973
  369    HA   TYR  60           HA       TYR  60   2.161  -9.986  13.378
  370   1HB   TYR  60           HB2      TYR  60  -0.012 -10.984  11.793
  371   2HB   TYR  60           HB1      TYR  60   0.264 -11.160  13.521
  372    HD1  TYR  60           HD1      TYR  60  -0.832  -8.418  11.210
  373    HD2  TYR  60           HD2      TYR  60  -1.515 -10.540  14.835
  374    HE1  TYR  60           HE1      TYR  60  -2.800  -7.013  11.655
  375    HE2  TYR  60           HE2      TYR  60  -3.483  -9.137  15.290
  376    HH   TYR  60           HH       TYR  60  -4.851  -7.067  12.938
  377    HA   PRO  61           HA       PRO  61   4.374 -11.083   9.742
  378   1HB   PRO  61           HB2      PRO  61   3.495 -13.712   9.336
  379   2HB   PRO  61           HB1      PRO  61   4.860 -13.215  10.340
  380   1HG   PRO  61           HG2      PRO  61   2.055 -13.856  11.135
  381   2HG   PRO  61           HG1      PRO  61   3.574 -14.213  11.980
  382   1HD   PRO  61           HD2      PRO  61   1.992 -12.229  12.800
  383   2HD   PRO  61           HD1      PRO  61   3.760 -12.041  12.811
  384    H    CYS  62           HN       CYS  62   4.167 -11.553   7.475
  385    HA   CYS  62           HA       CYS  62   1.599 -10.739   6.422
  386   1HB   CYS  62           HB2      CYS  62   4.239 -11.331   5.069
  387   2HB   CYS  62           HB1      CYS  62   2.798 -10.774   4.224
  388    H    CYS  63           HN       CYS  63   0.392 -11.919   4.854
  389    HA   CYS  63           HA       CYS  63   0.269 -14.711   5.427
  390   1HB   CYS  63           HB2      CYS  63  -1.256 -12.957   3.506
  391   2HB   CYS  63           HB1      CYS  63  -1.565 -14.680   3.675
  392    H    ASN  64           HN       ASN  64   0.172 -13.302   2.209
  393    HA   ASN  64           HA       ASN  64   1.957 -13.636   0.581
  394   1HB   ASN  64           HB2      ASN  64   3.041 -15.725   0.296
  395   2HB   ASN  64           HB1      ASN  64   3.070 -15.418   2.025
  396   1HD2  ASN  64          1HD2      ASN  64   3.044 -17.382   2.898
  397   2HD2  ASN  64          2HD2      ASN  64   1.872 -18.609   2.576
  398    H    THR  65           HN       THR  65  -1.074 -14.633   1.373
  399    HA   THR  65           HA       THR  65  -1.655 -15.685  -1.312
  400    HB   THR  65           HB       THR  65  -2.252 -17.130   0.634
  401    HG1  THR  65           HG1      THR  65  -4.502 -16.123  -0.767
  402   1HG2  THR  65          2HG2      THR  65  -2.924 -15.077   2.074
  403   2HG2  THR  65          1HG2      THR  65  -4.492 -15.260   1.283
  404   3HG2  THR  65          3HG2      THR  65  -3.821 -16.588   2.231
  405    H    CYS  66           HN       CYS  66  -3.219 -14.691  -2.585
  406    HA   CYS  66           HA       CYS  66  -3.959 -12.005  -1.748
  407   1HB   CYS  66           HB2      CYS  66  -3.185 -12.120  -4.016
  408   2HB   CYS  66           HB1      CYS  66  -4.276 -13.455  -4.388
  409    H    GLN  67           HN       GLN  67  -5.152 -13.387  -0.039
  410    HA   GLN  67           HA       GLN  67  -7.969 -13.340  -0.778
  411   1HB   GLN  67           HB2      GLN  67  -7.655 -15.643  -1.052
  412   2HB   GLN  67           HB1      GLN  67  -6.464 -15.736   0.234
  413   1HG   GLN  67           HG2      GLN  67  -8.966 -14.908   1.338
  414   2HG   GLN  67           HG1      GLN  67  -9.212 -16.339   0.341
  415   1HE2  GLN  67          1HE2      GLN  67  -6.314 -15.487   2.156
  416   2HE2  GLN  67          2HE2      GLN  67  -6.379 -16.830   3.240
  417    H    ALA  68           HN       ALA  68  -8.158 -11.502   0.468
  418    HA   ALA  68           HA       ALA  68  -7.350 -11.606   3.256
  419   1HB   ALA  68           HB3      ALA  68  -7.390  -9.574   1.360
  420   2HB   ALA  68           HB2      ALA  68  -8.676  -9.171   2.499
  421   3HB   ALA  68           HB1      ALA  68  -7.031  -9.430   3.080
  422    H    THR  69           HN       THR  69  -8.817 -12.999   4.090
  423    HA   THR  69           HA       THR  69 -11.589 -12.955   3.720
  424    HB   THR  69           HB       THR  69 -10.932 -14.897   4.738
  425    HG1  THR  69           HG1      THR  69 -11.614 -14.862   6.916
  426   1HG2  THR  69          1HG2      THR  69  -9.042 -13.237   6.357
  427   2HG2  THR  69          3HG2      THR  69  -9.417 -14.910   6.782
  428   3HG2  THR  69          2HG2      THR  69  -8.686 -14.537   5.217
  429    H    TYR  70           HN       TYR  70  -9.567 -10.794   5.507
  430    HA   TYR  70           HA       TYR  70 -11.910  -9.286   6.281
  431   1HB   TYR  70           HB2      TYR  70 -11.749  -9.427   8.557
  432   2HB   TYR  70           HB1      TYR  70 -11.154 -11.028   8.139
  433    HD1  TYR  70           HD1      TYR  70  -9.934  -7.572   8.839
  434    HD2  TYR  70           HD2      TYR  70  -9.120 -11.744   9.008
  435    HE1  TYR  70           HE1      TYR  70  -7.875  -7.112  10.100
  436    HE2  TYR  70           HE2      TYR  70  -7.056 -11.297  10.266
  437    HH   TYR  70           HH       TYR  70  -5.752  -8.147  10.601
  438    H    THR  71           HN       THR  71 -11.535  -7.122   6.528
  439    HA   THR  71           HA       THR  71  -8.755  -6.222   6.160
  440    HB   THR  71           HB       THR  71 -11.254  -5.058   4.916
  441    HG1  THR  71           HG1      THR  71 -10.508  -6.830   3.779
  442   1HG2  THR  71          1HG2      THR  71  -9.412  -3.412   5.638
  443   2HG2  THR  71          3HG2      THR  71  -8.481  -4.124   4.319
  444   3HG2  THR  71          2HG2      THR  71 -10.025  -3.338   3.985
  445    H    ASP  72           HN       ASP  72  -8.073  -4.578   7.424
  446    HA   ASP  72           HA       ASP  72 -10.052  -3.396   9.251
  447   1HB   ASP  72           HB2      ASP  72  -8.071  -5.094  10.028
  448   2HB   ASP  72           HB1      ASP  72  -7.260  -3.541  10.201
  449    H    GLY  73           HN       GLY  73  -8.414  -1.559  10.499
  450   1HA   GLY  73           HA1      GLY  73  -7.840   0.650  10.221
  451   2HA   GLY  73           HA2      GLY  73  -8.366   0.520   8.550
  452    H    ASP  74           HN       ASP  74  -6.202  -1.923   8.833
  453    HA   ASP  74           HA       ASP  74  -3.965  -0.158   8.083
  454   1HB   ASP  74           HB2      ASP  74  -4.057  -2.559   9.838
  455   2HB   ASP  74           HB1      ASP  74  -2.632  -2.347   8.825
  456    H    GLY  75           HN       GLY  75  -6.190  -1.938   6.675
  457   1HA   GLY  75           HA1      GLY  75  -4.302  -3.164   4.762
  458   2HA   GLY  75           HA2      GLY  75  -5.742  -2.295   4.255
  459    H    ASP  76           HN       ASP  76  -5.145  -4.930   3.492
  460    HA   ASP  76           HA       ASP  76  -7.527  -6.259   4.511
  461   1HB   ASP  76           HB2      ASP  76  -5.915  -7.675   2.492
  462   2HB   ASP  76           HB1      ASP  76  -7.638  -7.322   2.517
  463    H    TRP  77           HN       TRP  77  -7.365  -8.691   4.888
  464    HA   TRP  77           HA       TRP  77  -4.811  -9.637   5.857
  465   1HB   TRP  77           HB2      TRP  77  -7.082  -9.332   7.817
  466   2HB   TRP  77           HB1      TRP  77  -5.462  -9.933   8.158
  467    HD1  TRP  77           HD1      TRP  77  -7.370  -6.674   7.493
  468    HE1  TRP  77           HE1      TRP  77  -5.905  -4.701   8.245
  469    HE3  TRP  77           HE3      TRP  77  -3.055  -9.213   8.527
  470    HZ2  TRP  77           HZ2      TRP  77  -3.275  -4.277   9.153
  471    HZ3  TRP  77           HZ3      TRP  77  -1.109  -7.946   9.332
  472    HH2  TRP  77           HH2      TRP  77  -1.217  -5.526   9.640
  473    H    ALA  78           HN       ALA  78  -4.745 -11.830   6.370
  474    HA   ALA  78           HA       ALA  78  -7.160 -13.386   5.858
  475   1HB   ALA  78           HB2      ALA  78  -6.298 -14.658   4.166
  476   2HB   ALA  78           HB1      ALA  78  -5.556 -13.099   3.817
  477   3HB   ALA  78           HB3      ALA  78  -4.629 -14.350   4.639
  478    H    PHE  79           HN       PHE  79  -6.794 -15.750   6.399
  479    HA   PHE  79           HA       PHE  79  -5.066 -15.921   8.780
  480   1HB   PHE  79           HB2      PHE  79  -7.561 -16.050   9.147
  481   2HB   PHE  79           HB1      PHE  79  -7.547 -17.559   8.239
  482    HD1  PHE  79           HD1      PHE  79  -5.646 -16.004  11.053
  483    HD2  PHE  79           HD2      PHE  79  -7.540 -19.477   9.484
  484    HE1  PHE  79           HE1      PHE  79  -5.096 -17.230  13.114
  485    HE2  PHE  79           HE2      PHE  79  -6.994 -20.710  11.543
  486    HZ   PHE  79           HZ       PHE  79  -5.770 -19.586  13.361
  487    H    GLU  80           HN       GLU  80  -3.261 -16.964   8.225
  488    HA   GLU  80           HA       GLU  80  -3.542 -19.585   6.942
  489   1HB   GLU  80           HB2      GLU  80  -1.848 -19.214   5.371
  490   2HB   GLU  80           HB1      GLU  80  -2.788 -17.731   5.327
  491   1HG   GLU  80           HG2      GLU  80  -0.874 -16.646   5.580
  492   2HG   GLU  80           HG1      GLU  80  -0.860 -17.233   7.243
  493    H    ASN  81           HN       ASN  81  -1.895 -21.094   7.465
  494    HA   ASN  81           HA       ASN  81  -0.530 -22.170   8.932
  495   1HB   ASN  81           HB2      ASN  81   0.676 -19.471   8.626
  496   2HB   ASN  81           HB1      ASN  81   1.275 -20.469   9.949
  497   1HD2  ASN  81          1HD2      ASN  81   2.226 -19.545   7.150
  498   2HD2  ASN  81          2HD2      ASN  81   2.908 -20.986   6.484
  499    H    GLY  82           HN       GLY  82  -2.989 -20.738   9.918
  500   1HA   GLY  82           HA1      GLY  82  -2.702 -21.369  12.661
  501   2HA   GLY  82           HA2      GLY  82  -4.075 -20.552  11.930
  502    H    ASN  83           HN       ASN  83  -2.668 -18.291  10.911
  503    HA   ASN  83           HA       ASN  83  -2.371 -16.823  13.409
  504   1HB   ASN  83           HB2      ASN  83  -0.267 -15.722  12.538
  505   2HB   ASN  83           HB1      ASN  83  -0.087 -17.399  13.043
  506   1HD2  ASN  83          1HD2      ASN  83  -0.661 -15.380  10.201
  507   2HD2  ASN  83          2HD2      ASN  83   0.174 -16.404   9.087
  508    H    TRP  84           HN       TRP  84  -2.813 -14.631  13.247
  509    HA   TRP  84           HA       TRP  84  -4.388 -13.867  10.960
  510   1HB   TRP  84           HB2      TRP  84  -3.686 -12.510  13.558
  511   2HB   TRP  84           HB1      TRP  84  -4.574 -11.675  12.287
  512    HD1  TRP  84           HD1      TRP  84  -5.316 -13.277  15.362
  513    HE1  TRP  84           HE1      TRP  84  -7.677 -14.302  15.411
  514    HE3  TRP  84           HE3      TRP  84  -6.301 -13.292  10.345
  515    HZ2  TRP  84           HZ2      TRP  84  -9.689 -15.022  13.568
  516    HZ3  TRP  84           HZ3      TRP  84  -8.467 -14.166   9.572
  517    HH2  TRP  84           HH2      TRP  84 -10.124 -15.013  11.151
  518    H    CYS  85           HN       CYS  85  -2.777 -13.895   9.337
  519    HA   CYS  85           HA       CYS  85  -0.677 -11.878   9.483
  520   1HB   CYS  85           HB2      CYS  85   0.020 -12.886   7.284
  521   2HB   CYS  85           HB1      CYS  85   0.056 -13.995   8.651
  522    H    GLY  86           HN       GLY  86  -0.308 -10.717   7.237
  523   1HA   GLY  86           HA1      GLY  86  -1.421  -8.671   6.511
  524   2HA   GLY  86           HA2      GLY  86  -2.923  -9.579   6.475
  525    H    ILE  87           HN       ILE  87  -3.114  -8.728   4.297
  526    HA   ILE  87           HA       ILE  87  -2.097 -10.610   2.367
  527    HB   ILE  87           HB       ILE  87  -4.279  -8.701   2.508
  528   1HG1  ILE  87          2HG1      ILE  87  -5.422 -10.280   1.230
  529   2HG1  ILE  87          1HG1      ILE  87  -3.965 -10.822   0.409
  530   1HG2  ILE  87          1HG2      ILE  87  -2.966  -7.385   0.934
  531   2HG2  ILE  87          3HG2      ILE  87  -2.791  -8.795  -0.114
  532   3HG2  ILE  87          2HG2      ILE  87  -4.382  -8.082   0.147
  533   1HD1  ILE  87          2HD1      ILE  87  -4.417 -11.299   3.331
  534   2HD1  ILE  87          1HD1      ILE  87  -5.025 -12.390   2.084
  535   3HD1  ILE  87          3HD1      ILE  87  -3.293 -12.111   2.238
  536    H    LYS  88           HN       LYS  88  -0.605 -10.286   0.810
  537    HA   LYS  88           HA       LYS  88   1.236  -8.120   1.178
  538   1HB   LYS  88           HB2      LYS  88   1.307 -10.042  -1.127
  539   2HB   LYS  88           HB1      LYS  88   2.649  -9.236  -0.330
  540   1HG   LYS  88           HG2      LYS  88   1.152 -10.966   1.466
  541   2HG   LYS  88           HG1      LYS  88   1.829 -11.823   0.082
  542   1HD   LYS  88           HD2      LYS  88   3.944 -10.314   0.768
  543   2HD   LYS  88           HD1      LYS  88   3.181 -10.499   2.347
  544   1HE   LYS  88           HE2      LYS  88   4.780 -12.267   2.045
  545   2HE   LYS  88           HE1      LYS  88   3.155 -12.950   1.997
  546   1HZ   LYS  88           HZ3      LYS  88   3.592 -12.441  -0.591
  547   2HZ   LYS  88           HZ2      LYS  88   5.164 -12.807  -0.085
  548   3HZ   LYS  88           HZ1      LYS  88   3.919 -13.930   0.144
  549    H    ASN  89           HN       ASN  89   2.058  -6.875  -0.719
  550    HA   ASN  89           HA       ASN  89   0.030  -5.294  -1.835
  551   1HB   ASN  89           HB2      ASN  89   2.959  -5.518  -2.071
  552   2HB   ASN  89           HB1      ASN  89   2.159  -4.837  -3.486
  553   1HD2  ASN  89          1HD2      ASN  89   3.905  -3.348  -2.006
  554   2HD2  ASN  89          2HD2      ASN  89   3.049  -2.105  -1.168
  555    H    SER  90           HN       SER  90   1.080  -8.379  -2.747
  556    HA   SER  90           HA       SER  90   0.749  -8.224  -5.541
  557   1HB   SER  90           HB2      SER  90   1.249 -10.281  -3.548
  558   2HB   SER  90           HB1      SER  90   0.166 -10.852  -4.818
  559    HG   SER  90           HG       SER  90   1.909 -11.074  -5.959
  560    H    CYS  91           HN       CYS  91  -1.490  -8.596  -2.898
  561    HA   CYS  91           HA       CYS  91  -3.639  -9.404  -4.678
  562   1HB   CYS  91           HB2      CYS  91  -3.309 -10.268  -2.278
  563   2HB   CYS  91           HB1      CYS  91  -3.994  -8.724  -1.778
  564    H    LYS  92           HN       LYS  92  -2.891  -7.069  -5.598
  565    HA   LYS  92           HA       LYS  92  -5.099  -5.320  -4.772
  566   1HB   LYS  92           HB2      LYS  92  -3.727  -3.325  -4.897
  567   2HB   LYS  92           HB1      LYS  92  -3.063  -4.444  -3.715
  568   1HG   LYS  92           HG2      LYS  92  -1.321  -5.085  -5.186
  569   2HG   LYS  92           HG1      LYS  92  -2.053  -4.222  -6.535
  570   1HD   LYS  92           HD2      LYS  92  -0.695  -2.536  -5.979
  571   2HD   LYS  92           HD1      LYS  92  -1.796  -2.264  -4.627
  572   1HE   LYS  92           HE2      LYS  92  -0.397  -3.892  -3.310
  573   2HE   LYS  92           HE1      LYS  92   0.768  -3.842  -4.636
  574   1HZ   LYS  92           HZ3      LYS  92   0.257  -1.213  -4.048
  575   2HZ   LYS  92           HZ2      LYS  92   0.346  -1.963  -2.535
  576   3HZ   LYS  92           HZ1      LYS  92   1.639  -2.089  -3.617
  577    H    GLN  93           HN       GLN  93  -2.684  -6.019  -7.265
  578    HA   GLN  93           HA       GLN  93  -4.673  -5.673  -9.312
  579   1HB   GLN  93           HB2      GLN  93  -2.441  -3.683  -8.984
  580   2HB   GLN  93           HB1      GLN  93  -3.189  -3.975 -10.548
  581   1HG   GLN  93           HG2      GLN  93  -5.402  -3.466  -9.403
  582   2HG   GLN  93           HG1      GLN  93  -4.434  -2.846  -8.066
  583   1HE2  GLN  93          1HE2      GLN  93  -5.242  -0.764  -8.369
  584   2HE2  GLN  93          2HE2      GLN  93  -4.732   0.234  -9.683
  585    H    GLN  94           HN       GLN  94  -4.320  -7.279 -10.667
  586    HA   GLN  94           HA       GLN  94  -1.990  -8.819 -10.718
  587   1HB   GLN  94           HB2      GLN  94  -3.069  -9.432 -13.133
  588   2HB   GLN  94           HB1      GLN  94  -3.570 -10.144 -11.610
  589   1HG   GLN  94           HG2      GLN  94  -4.940  -7.645 -12.319
  590   2HG   GLN  94           HG1      GLN  94  -5.232  -9.000 -13.404
  591   1HE2  GLN  94          1HE2      GLN  94  -4.601  -9.130  -9.942
  592   2HE2  GLN  94          2HE2      GLN  94  -6.138  -9.784  -9.503
  593    HA   PRO  95           HA       PRO  95  -0.934  -6.422 -14.870
  594   1HB   PRO  95           HB2      PRO  95  -1.574  -3.750 -14.674
  595   2HB   PRO  95           HB1      PRO  95  -2.544  -4.948 -15.539
  596   1HG   PRO  95           HG2      PRO  95  -2.889  -3.883 -12.759
  597   2HG   PRO  95           HG1      PRO  95  -4.118  -4.161 -14.009
  598   1HD   PRO  95           HD2      PRO  95  -3.797  -5.880 -12.016
  599   2HD   PRO  95           HD1      PRO  95  -4.117  -6.463 -13.661
  600    H    GLN  96           HN       GLN  96  -0.917  -5.098 -11.628
  601    HA   GLN  96           HA       GLN  96   0.607  -3.736 -10.536
  602   1HB   GLN  96           HB2      GLN  96   2.780  -4.986 -10.275
  603   2HB   GLN  96           HB1      GLN  96   1.327  -5.905  -9.910
  604   1HG   GLN  96           HG2      GLN  96   1.701  -7.378 -11.545
  605   2HG   GLN  96           HG1      GLN  96   2.209  -6.136 -12.686
  606   1HE2  GLN  96          1HE2      GLN  96   3.577  -6.819  -9.514
  607   2HE2  GLN  96          2HE2      GLN  96   5.138  -7.286 -10.087
  608    H    ASN  97           HN       ASN  97   0.829  -1.825 -11.649
  609    HA   ASN  97           HA       ASN  97   2.078  -1.283 -14.010
  610   1HB   ASN  97           HB2      ASN  97   2.118   0.390 -11.492
  611   2HB   ASN  97           HB1      ASN  97   2.554   0.985 -13.092
  612   1HD2  ASN  97          1HD2      ASN  97   0.531   2.106 -11.562
  613   2HD2  ASN  97          2HD2      ASN  97  -0.982   1.826 -12.345
  614    H    ASN  98           HN       ASN  98   3.976  -2.045 -14.677
  615    HA   ASN  98           HA       ASN  98   6.241  -2.092 -12.818
  616   1HB   ASN  98           HB2      ASN  98   5.463  -3.657 -15.200
  617   2HB   ASN  98           HB1      ASN  98   7.183  -3.302 -15.059
  618   1HD2  ASN  98          1HD2      ASN  98   4.841  -3.846 -12.481
  619   2HD2  ASN  98          2HD2      ASN  98   5.599  -5.262 -11.847
  620    H    ASN  99           HN       ASN  99   8.391  -1.501 -13.730
  621    HA   ASN  99           HA       ASN  99   8.132   0.888 -15.430
  622   1HB   ASN  99           HB2      ASN  99  10.388   0.278 -13.517
  623   2HB   ASN  99           HB1      ASN  99  10.043   1.808 -14.316
  624   1HD2  ASN  99          1HD2      ASN  99   9.221  -0.323 -11.727
  625   2HD2  ASN  99          2HD2      ASN  99   8.168   0.759 -10.889
  626    H    GLN 100           HN       GLN 100   8.383  -0.085 -17.428
  627    HA   GLN 100           HA       GLN 100  11.093  -1.078 -17.979
  628   1HB   GLN 100           HB2      GLN 100   9.094  -2.829 -17.863
  629   2HB   GLN 100           HB1      GLN 100   8.818  -2.256 -19.502
  630   1HG   GLN 100           HG2      GLN 100  11.527  -2.722 -19.452
  631   2HG   GLN 100           HG1      GLN 100  10.872  -4.024 -18.459
  632   1HE2  GLN 100          1HE2      GLN 100  10.516  -5.793 -19.570
  633   2HE2  GLN 100          2HE2      GLN 100   9.984  -5.885 -21.212

  No H/Q in entry =         633
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1   5.404   5.231  -7.197
    2    H2   ALA   1           HT3      ALA   1   7.014   5.800  -7.048
    3    H3   ALA   1           HT2      ALA   1   6.601   4.235  -6.474
    4    HA   ALA   1           HA       ALA   1   5.517   5.002  -4.680
    5   1HB   ALA   1           HB3      ALA   1   7.212   5.957  -3.574
    6   2HB   ALA   1           HB1      ALA   1   7.254   7.354  -4.650
    7   3HB   ALA   1           HB2      ALA   1   8.075   5.862  -5.110
    8    H    MET   2           HN       MET   2   3.667   5.718  -6.395
    9    HA   MET   2           HA       MET   2   2.533   8.059  -5.271
   10   1HB   MET   2           HB2      MET   2   4.279   8.842  -7.080
   11   2HB   MET   2           HB1      MET   2   2.988   8.422  -8.198
   12   1HG   MET   2           HG2      MET   2   1.701  10.165  -7.586
   13   2HG   MET   2           HG1      MET   2   2.218  10.098  -5.902
   14   1HE   MET   2           HE1      MET   2   3.952  10.933  -4.914
   15   2HE   MET   2           HE3      MET   2   5.426  11.594  -5.621
   16   3HE   MET   2           HE2      MET   2   4.086  12.666  -5.215
   17    H    ALA   3           HN       ALA   3   0.852   6.628  -4.907
   18    HA   ALA   3           HA       ALA   3  -1.045   6.407  -7.070
   19   1HB   ALA   3           HB1      ALA   3  -0.763   3.795  -5.803
   20   2HB   ALA   3           HB2      ALA   3   0.655   4.272  -6.736
   21   3HB   ALA   3           HB3      ALA   3  -0.931   4.215  -7.509
   22    H    CYS   4           HN       CYS   4  -0.821   7.730  -4.520
   23    HA   CYS   4           HA       CYS   4  -2.440   6.382  -2.598
   24   1HB   CYS   4           HB2      CYS   4  -2.389   8.536  -1.395
   25   2HB   CYS   4           HB1      CYS   4  -0.783   8.038  -1.910
   26    H    TRP   5           HN       TRP   5  -4.594   6.322  -2.427
   27    HA   TRP   5           HA       TRP   5  -6.282   7.249  -4.454
   28   1HB   TRP   5           HB2      TRP   5  -8.139   6.727  -2.864
   29   2HB   TRP   5           HB1      TRP   5  -6.979   5.417  -3.052
   30    HD1  TRP   5           HD1      TRP   5  -5.634   4.675  -0.923
   31    HE1  TRP   5           HE1      TRP   5  -5.794   5.266   1.582
   32    HE3  TRP   5           HE3      TRP   5  -8.701   8.708  -1.278
   33    HZ2  TRP   5           HZ2      TRP   5  -7.084   7.206   3.188
   34    HZ3  TRP   5           HZ3      TRP   5  -9.369   9.887   0.777
   35    HH2  TRP   5           HH2      TRP   5  -8.574   9.148   2.966
   36    H    ALA   6           HN       ALA   6  -4.902   8.902  -1.795
   37    HA   ALA   6           HA       ALA   6  -6.859  10.887  -1.359
   38   1HB   ALA   6           HB3      ALA   6  -3.877  10.985  -0.927
   39   2HB   ALA   6           HB2      ALA   6  -5.035  12.160  -0.305
   40   3HB   ALA   6           HB1      ALA   6  -5.094  10.486   0.249
   41    H    GLN   7           HN       GLN   7  -4.130  10.670  -3.602
   42    HA   GLN   7           HA       GLN   7  -4.377  13.347  -4.538
   43   1HB   GLN   7           HB2      GLN   7  -2.793  12.741  -6.246
   44   2HB   GLN   7           HB1      GLN   7  -2.287  12.031  -4.719
   45   1HG   GLN   7           HG2      GLN   7  -2.578   9.921  -5.447
   46   2HG   GLN   7           HG1      GLN   7  -3.966  10.337  -6.449
   47   1HE2  GLN   7          1HE2      GLN   7  -3.551   9.834  -8.464
   48   2HE2  GLN   7          2HE2      GLN   7  -2.071  10.116  -9.307
   49    H    SER   8           HN       SER   8  -6.329  10.670  -4.986
   50    HA   SER   8           HA       SER   8  -7.073  10.985  -7.699
   51   1HB   SER   8           HB2      SER   8  -7.546   8.927  -6.435
   52   2HB   SER   8           HB1      SER   8  -8.658   9.818  -5.396
   53    HG   SER   8           HG       SER   8 -10.130   9.676  -6.888
   54    H    GLN   9           HN       GLN   9  -8.064  12.536  -4.725
   55    HA   GLN   9           HA       GLN   9 -10.210  13.953  -6.120
   56   1HB   GLN   9           HB2      GLN   9 -10.847  14.790  -3.884
   57   2HB   GLN   9           HB1      GLN   9 -10.825  13.034  -3.966
   58   1HG   GLN   9           HG2      GLN   9  -8.293  13.632  -3.106
   59   2HG   GLN   9           HG1      GLN   9  -9.277  14.855  -2.310
   60   1HE2  GLN   9          1HE2      GLN   9  -8.388  11.557  -2.434
   61   2HE2  GLN   9          2HE2      GLN   9  -9.351  11.012  -1.107
   62    H    GLY  10           HN       GLY  10  -6.977  14.415  -4.986
   63   1HA   GLY  10           HA1      GLY  10  -7.249  17.333  -5.161
   64   2HA   GLY  10           HA2      GLY  10  -6.181  16.535  -6.303
   65    H    TYR  11           HN       TYR  11  -6.389  15.190  -3.132
   66    HA   TYR  11           HA       TYR  11  -4.426  16.748  -1.845
   67   1HB   TYR  11           HB2      TYR  11  -5.658  14.075  -1.378
   68   2HB   TYR  11           HB1      TYR  11  -4.172  14.453  -0.516
   69    HD1  TYR  11           HD1      TYR  11  -7.725  14.970  -0.693
   70    HD2  TYR  11           HD2      TYR  11  -4.118  16.491   0.977
   71    HE1  TYR  11           HE1      TYR  11  -9.030  16.209   0.979
   72    HE2  TYR  11           HE2      TYR  11  -5.411  17.734   2.656
   73    HH   TYR  11           HH       TYR  11  -7.578  17.706   3.705
   74    H    ASN  12           HN       ASN  12  -2.465  15.159  -0.896
   75    HA   ASN  12           HA       ASN  12  -1.013  14.270  -3.301
   76   1HB   ASN  12           HB2      ASN  12   1.026  15.204  -2.399
   77   2HB   ASN  12           HB1      ASN  12  -0.205  16.461  -2.442
   78   1HD2  ASN  12          1HD2      ASN  12  -0.103  17.721  -0.745
   79   2HD2  ASN  12          2HD2      ASN  12   0.270  17.234   0.870
   80    H    CYS  13           HN       CYS  13   0.846  12.798  -2.776
   81    HA   CYS  13           HA       CYS  13  -0.085  10.733  -0.986
   82   1HB   CYS  13           HB2      CYS  13   2.321  10.827  -2.807
   83   2HB   CYS  13           HB1      CYS  13   1.754   9.410  -1.937
   84    H    CYS  14           HN       CYS  14   0.949   9.937   0.777
   85    HA   CYS  14           HA       CYS  14   2.926  11.712   2.007
   86   1HB   CYS  14           HB2      CYS  14   2.200   9.875   3.951
   87   2HB   CYS  14           HB1      CYS  14   1.579  11.509   3.787
   88    H    ASN  15           HN       ASN  15   4.927  11.127   1.561
   89    HA   ASN  15           HA       ASN  15   6.008   8.816   0.697
   90   1HB   ASN  15           HB2      ASN  15   8.090   9.483   1.972
   91   2HB   ASN  15           HB1      ASN  15   7.391  10.740   0.957
   92   1HD2  ASN  15          1HD2      ASN  15   7.728   9.591   4.248
   93   2HD2  ASN  15          2HD2      ASN  15   7.421  11.110   5.009
   94    H    ASN  16           HN       ASN  16   6.339   6.782   1.447
   95    HA   ASN  16           HA       ASN  16   5.981   4.957   2.783
   96   1HB   ASN  16           HB2      ASN  16   7.080   5.389   5.175
   97   2HB   ASN  16           HB1      ASN  16   8.055   5.149   3.730
   98   1HD2  ASN  16          1HD2      ASN  16   8.912   7.025   2.677
   99   2HD2  ASN  16          2HD2      ASN  16   9.226   8.458   3.588
  100    HA   PRO  17           HA       PRO  17   2.265   6.910   4.858
  101   1HB   PRO  17           HB2      PRO  17   0.515   5.071   3.809
  102   2HB   PRO  17           HB1      PRO  17   0.896   6.622   3.054
  103   1HG   PRO  17           HG2      PRO  17   1.982   3.902   2.450
  104   2HG   PRO  17           HG1      PRO  17   1.512   5.197   1.333
  105   1HD   PRO  17           HD2      PRO  17   4.087   4.707   1.938
  106   2HD   PRO  17           HD1      PRO  17   3.490   6.353   1.643
  107    H    SER  18           HN       SER  18   3.872   3.902   4.829
  108    HA   SER  18           HA       SER  18   2.195   2.567   6.738
  109   1HB   SER  18           HB2      SER  18   3.993   1.655   4.958
  110   2HB   SER  18           HB1      SER  18   5.016   1.712   6.394
  111    HG   SER  18           HG       SER  18   3.398   0.442   7.455
  112    H    SER  19           HN       SER  19   4.160   5.175   7.081
  113    HA   SER  19           HA       SER  19   4.621   4.556   9.909
  114   1HB   SER  19           HB2      SER  19   6.709   4.362   8.340
  115   2HB   SER  19           HB1      SER  19   6.675   6.126   8.390
  116    HG   SER  19           HG       SER  19   6.708   4.458  10.687
  117    H    THR  20           HN       THR  20   2.858   6.336   8.016
  118    HA   THR  20           HA       THR  20   3.443   8.973   9.042
  119    HB   THR  20           HB       THR  20   1.520   7.808   7.061
  120    HG1  THR  20           HG1      THR  20   2.775   8.813   5.718
  121   1HG2  THR  20          2HG2      THR  20   1.333  10.590   8.172
  122   2HG2  THR  20          1HG2      THR  20   0.526  10.010   6.716
  123   3HG2  THR  20          3HG2      THR  20   0.117   9.318   8.285
  124    H    LYS  21           HN       LYS  21   2.165  10.125  10.465
  125    HA   LYS  21           HA       LYS  21   0.471   8.515  12.202
  126   1HB   LYS  21           HB2      LYS  21   2.197  10.001  13.178
  127   2HB   LYS  21           HB1      LYS  21   1.365  11.389  12.490
  128   1HG   LYS  21           HG2      LYS  21  -0.156   9.553  14.268
  129   2HG   LYS  21           HG1      LYS  21   0.998  10.679  14.987
  130   1HD   LYS  21           HD2      LYS  21  -0.323  12.310  13.264
  131   2HD   LYS  21           HD1      LYS  21  -1.606  11.187  13.719
  132   1HE   LYS  21           HE2      LYS  21  -1.883  12.535  15.489
  133   2HE   LYS  21           HE1      LYS  21  -0.456  11.723  16.132
  134   1HZ   LYS  21           HZ3      LYS  21  -0.387  14.224  14.531
  135   2HZ   LYS  21           HZ2      LYS  21  -0.311  14.165  16.220
  136   3HZ   LYS  21           HZ1      LYS  21   0.925  13.477  15.294
  137    H    VAL  22           HN       VAL  22  -1.651   8.408  11.820
  138    HA   VAL  22           HA       VAL  22  -2.941  10.415  10.192
  139    HB   VAL  22           HB       VAL  22  -4.010   7.828  11.335
  140   1HG1  VAL  22          1HG1      VAL  22  -5.389  10.029  10.254
  141   2HG1  VAL  22          3HG1      VAL  22  -5.420   8.761   9.030
  142   3HG1  VAL  22          2HG1      VAL  22  -6.030   8.436  10.653
  143   1HG2  VAL  22          3HG2      VAL  22  -2.127   7.738   9.608
  144   2HG2  VAL  22          2HG2      VAL  22  -3.588   6.808   9.274
  145   3HG2  VAL  22          1HG2      VAL  22  -3.320   8.352   8.463
  146    H    GLU  23           HN       GLU  23  -3.237  12.184  11.449
  147    HA   GLU  23           HA       GLU  23  -4.445  11.913  14.082
  148   1HB   GLU  23           HB2      GLU  23  -4.376  14.518  13.883
  149   2HB   GLU  23           HB1      GLU  23  -2.882  13.631  14.149
  150   1HG   GLU  23           HG2      GLU  23  -2.247  13.858  11.870
  151   2HG   GLU  23           HG1      GLU  23  -3.836  14.484  11.429
  152    H    TYR  24           HN       TYR  24  -5.480  11.840  10.983
  153    HA   TYR  24           HA       TYR  24  -8.148  12.807  11.767
  154   1HB   TYR  24           HB2      TYR  24  -6.840  14.492  10.340
  155   2HB   TYR  24           HB1      TYR  24  -7.061  13.352   9.017
  156    HD1  TYR  24           HD1      TYR  24  -9.384  12.792   8.260
  157    HD2  TYR  24           HD2      TYR  24  -8.594  15.919  11.035
  158    HE1  TYR  24           HE1      TYR  24 -11.610  13.739   7.811
  159    HE2  TYR  24           HE2      TYR  24 -10.817  16.877  10.595
  160    HH   TYR  24           HH       TYR  24 -12.757  15.901   7.983
  161    H    THR  25           HN       THR  25  -9.792  11.515  11.192
  162    HA   THR  25           HA       THR  25  -9.546   9.695   8.964
  163    HB   THR  25           HB       THR  25 -10.191   8.453  11.623
  164    HG1  THR  25           HG1      THR  25  -8.169   8.411  12.126
  165   1HG2  THR  25          1HG2      THR  25 -10.129   7.519   8.955
  166   2HG2  THR  25          3HG2      THR  25  -8.809   6.747   9.835
  167   3HG2  THR  25          2HG2      THR  25 -10.463   6.616  10.435
  168    H    ASP  26           HN       ASP  26 -11.365  10.085   7.933
  169    HA   ASP  26           HA       ASP  26 -13.869  10.176   9.482
  170   1HB   ASP  26           HB2      ASP  26 -12.869  12.328   8.229
  171   2HB   ASP  26           HB1      ASP  26 -13.731  11.605   6.875
  172    H    ALA  27           HN       ALA  27 -15.306  10.424   6.826
  173    HA   ALA  27           HA       ALA  27 -15.491   7.576   6.343
  174   1HB   ALA  27           HB3      ALA  27 -17.615   8.368   6.325
  175   2HB   ALA  27           HB1      ALA  27 -17.260   8.580   4.610
  176   3HB   ALA  27           HB2      ALA  27 -17.139   9.952   5.713
  177    H    SER  28           HN       SER  28 -13.338   9.698   5.280
  178    HA   SER  28           HA       SER  28 -13.390   8.809   2.484
  179   1HB   SER  28           HB2      SER  28 -11.284  10.706   3.196
  180   2HB   SER  28           HB1      SER  28 -12.501  10.805   1.925
  181    HG   SER  28           HG       SER  28 -12.666  12.436   3.600
  182    H    GLY  29           HN       GLY  29 -11.721   8.471   5.482
  183   1HA   GLY  29           HA1      GLY  29  -9.516   7.040   4.157
  184   2HA   GLY  29           HA2      GLY  29 -10.464   6.243   5.404
  185    H    GLN  30           HN       GLN  30  -7.591   6.873   5.328
  186    HA   GLN  30           HA       GLN  30  -7.469   8.332   7.872
  187   1HB   GLN  30           HB2      GLN  30  -5.962   6.083   6.683
  188   2HB   GLN  30           HB1      GLN  30  -5.007   7.230   7.612
  189   1HG   GLN  30           HG2      GLN  30  -6.566   6.908   9.510
  190   2HG   GLN  30           HG1      GLN  30  -7.383   5.657   8.574
  191   1HE2  GLN  30          1HE2      GLN  30  -5.592   4.119   7.538
  192   2HE2  GLN  30          2HE2      GLN  30  -4.502   3.459   8.704
  193    H    TRP  31           HN       TRP  31  -6.361  10.202   8.068
  194    HA   TRP  31           HA       TRP  31  -4.633  11.031   5.840
  195   1HB   TRP  31           HB2      TRP  31  -6.551  12.896   7.240
  196   2HB   TRP  31           HB1      TRP  31  -5.553  13.248   5.835
  197    HD1  TRP  31           HD1      TRP  31  -8.609  11.090   6.810
  198    HE1  TRP  31           HE1      TRP  31 -10.050  10.758   4.705
  199    HE3  TRP  31           HE3      TRP  31  -5.565  13.354   3.386
  200    HZ2  TRP  31           HZ2      TRP  31  -9.912  11.384   1.946
  201    HZ3  TRP  31           HZ3      TRP  31  -6.291  13.443   1.038
  202    HH2  TRP  31           HH2      TRP  31  -8.418  12.478   0.335
  203    H    GLY  32           HN       GLY  32  -3.028  12.611   6.390
  204   1HA   GLY  32           HA1      GLY  32  -1.565  12.106   8.647
  205   2HA   GLY  32           HA2      GLY  32  -2.643  13.412   9.115
  206    H    VAL  33           HN       VAL  33  -0.443  14.414   9.436
  207    HA   VAL  33           HA       VAL  33   0.286  15.842   6.973
  208    HB   VAL  33           HB       VAL  33   0.772  16.629   9.851
  209   1HG1  VAL  33          1HG1      VAL  33   2.513  17.436   8.305
  210   2HG1  VAL  33          3HG1      VAL  33   1.262  18.199   7.322
  211   3HG1  VAL  33          2HG1      VAL  33   1.544  18.752   8.973
  212   1HG2  VAL  33          1HG2      VAL  33  -1.271  17.484   7.821
  213   2HG2  VAL  33          3HG2      VAL  33  -1.532  16.881   9.457
  214   3HG2  VAL  33          2HG2      VAL  33  -0.847  18.487   9.208
  215    H    GLN  34           HN       GLN  34   1.954  14.849   6.014
  216    HA   GLN  34           HA       GLN  34   4.196  13.962   7.700
  217   1HB   GLN  34           HB2      GLN  34   2.954  12.369   6.038
  218   2HB   GLN  34           HB1      GLN  34   3.912  13.196   4.815
  219   1HG   GLN  34           HG2      GLN  34   5.945  12.503   5.827
  220   2HG   GLN  34           HG1      GLN  34   5.096  11.880   7.241
  221   1HE2  GLN  34          1HE2      GLN  34   6.149   9.877   6.859
  222   2HE2  GLN  34          2HE2      GLN  34   5.557   8.786   5.654
  223    H    ASN  35           HN       ASN  35   6.190  14.806   7.424
  224    HA   ASN  35           HA       ASN  35   7.699  16.441   6.916
  225   1HB   ASN  35           HB2      ASN  35   8.462  16.386   4.649
  226   2HB   ASN  35           HB1      ASN  35   7.903  14.764   5.053
  227   1HD2  ASN  35          1HD2      ASN  35   7.230  17.665   3.246
  228   2HD2  ASN  35          2HD2      ASN  35   6.057  16.969   2.187
  229    H    GLY  36           HN       GLY  36   4.908  17.355   7.290
  230   1HA   GLY  36           HA1      GLY  36   5.301  20.047   6.351
  231   2HA   GLY  36           HA2      GLY  36   3.976  19.473   7.349
  232    H    GLN  37           HN       GLN  37   3.000  17.441   5.641
  233    HA   GLN  37           HA       GLN  37   1.598  19.109   3.724
  234   1HB   GLN  37           HB2      GLN  37   2.060  17.700   1.807
  235   2HB   GLN  37           HB1      GLN  37   3.572  18.302   2.475
  236   1HG   GLN  37           HG2      GLN  37   4.322  16.257   2.910
  237   2HG   GLN  37           HG1      GLN  37   2.785  15.742   3.600
  238   1HE2  GLN  37          1HE2      GLN  37   2.463  13.844   2.635
  239   2HE2  GLN  37          2HE2      GLN  37   2.372  13.601   0.927
  240    H    TRP  38           HN       TRP  38  -0.435  18.356   3.196
  241    HA   TRP  38           HA       TRP  38  -1.530  16.350   4.950
  242   1HB   TRP  38           HB2      TRP  38  -2.624  18.312   2.987
  243   2HB   TRP  38           HB1      TRP  38  -3.618  16.919   3.398
  244    HD1  TRP  38           HD1      TRP  38  -3.598  20.280   4.286
  245    HE1  TRP  38           HE1      TRP  38  -4.277  20.721   6.730
  246    HE3  TRP  38           HE3      TRP  38  -2.919  15.580   6.177
  247    HZ2  TRP  38           HZ2      TRP  38  -4.498  19.266   9.139
  248    HZ3  TRP  38           HZ3      TRP  38  -3.387  15.188   8.561
  249    HH2  TRP  38           HH2      TRP  38  -4.160  16.995  10.010
  250    H    CYS  39           HN       CYS  39  -2.542  14.407   4.318
  251    HA   CYS  39           HA       CYS  39  -2.681  13.495   1.640
  252   1HB   CYS  39           HB2      CYS  39  -0.337  13.341   1.593
  253   2HB   CYS  39           HB1      CYS  39  -0.266  12.679   3.225
  254    H    GLY  40           HN       GLY  40  -3.476  11.368   1.442
  255   1HA   GLY  40           HA1      GLY  40  -5.121   9.857   2.209
  256   2HA   GLY  40           HA2      GLY  40  -4.771  10.361   3.863
  257    H    ILE  41           HN       ILE  41  -4.007   8.587   4.926
  258    HA   ILE  41           HA       ILE  41  -1.513   7.490   4.118
  259    HB   ILE  41           HB       ILE  41  -3.378   6.908   6.386
  260   1HG1  ILE  41          2HG1      ILE  41  -1.458   7.632   7.708
  261   2HG1  ILE  41          1HG1      ILE  41  -0.474   7.733   6.253
  262   1HG2  ILE  41          2HG2      ILE  41  -0.948   5.306   5.621
  263   2HG2  ILE  41          1HG2      ILE  41  -1.711   5.256   7.211
  264   3HG2  ILE  41          3HG2      ILE  41  -2.606   4.721   5.788
  265   1HD1  ILE  41          1HD1      ILE  41  -2.972   9.324   6.388
  266   2HD1  ILE  41          3HD1      ILE  41  -1.567   9.860   7.308
  267   3HD1  ILE  41          2HD1      ILE  41  -1.453   9.664   5.557
  268    H    ASP  42           HN       ASP  42  -1.369   6.257   2.404
  269    HA   ASP  42           HA       ASP  42  -3.202   3.964   2.161
  270   1HB   ASP  42           HB2      ASP  42  -1.862   5.099  -0.260
  271   2HB   ASP  42           HB1      ASP  42  -3.386   4.228  -0.132
  272    H    TYR  43           HN       TYR  43  -1.893   2.449   3.099
  273    HA   TYR  43           HA       TYR  43   0.873   2.239   2.836
  274   1HB   TYR  43           HB2      TYR  43  -1.049  -0.063   3.219
  275   2HB   TYR  43           HB1      TYR  43   0.656  -0.033   3.650
  276    HD1  TYR  43           HD1      TYR  43   0.254   3.002   4.679
  277    HD2  TYR  43           HD2      TYR  43  -1.537  -0.761   5.541
  278    HE1  TYR  43           HE1      TYR  43  -0.332   3.802   6.932
  279    HE2  TYR  43           HE2      TYR  43  -2.128   0.030   7.792
  280    HH   TYR  43           HH       TYR  43  -2.469   2.090   8.991
  281    H    SER  44           HN       SER  44  -1.582   1.515   0.548
  282    HA   SER  44           HA       SER  44   0.376   0.092  -1.129
  283   1HB   SER  44           HB2      SER  44  -2.475  -0.096  -1.873
  284   2HB   SER  44           HB1      SER  44  -1.230  -1.344  -1.842
  285    HG   SER  44           HG       SER  44  -2.826  -0.382   0.277
  286    H    TYR  45           HN       TYR  45   0.633   2.781  -1.172
  287    HA   TYR  45           HA       TYR  45  -0.973   3.845  -3.337
  288   1HB   TYR  45           HB2      TYR  45  -0.383   5.911  -2.623
  289   2HB   TYR  45           HB1      TYR  45   0.025   5.048  -1.150
  290    HD1  TYR  45           HD1      TYR  45   2.572   3.754  -2.143
  291    HD2  TYR  45           HD2      TYR  45   1.116   7.734  -2.468
  292    HE1  TYR  45           HE1      TYR  45   4.876   4.578  -2.303
  293    HE2  TYR  45           HE2      TYR  45   3.423   8.573  -2.615
  294    HH   TYR  45           HH       TYR  45   6.145   6.594  -1.953
  295    H    GLY  46           HN       GLY  46   0.971   1.620  -3.792
  296   1HA   GLY  46           HA1      GLY  46   2.117   2.729  -6.207
  297   2HA   GLY  46           HA2      GLY  46   2.103   1.037  -5.739
  298    H    GLN  47           HN       GLN  47   3.590   0.448  -3.922
  299    HA   GLN  47           HA       GLN  47   6.072   2.026  -4.106
  300   1HB   GLN  47           HB2      GLN  47   4.629   0.980  -1.795
  301   2HB   GLN  47           HB1      GLN  47   6.314   0.480  -1.815
  302   1HG   GLN  47           HG2      GLN  47   6.307   3.206  -2.464
  303   2HG   GLN  47           HG1      GLN  47   5.172   3.014  -1.129
  304   1HE2  GLN  47          1HE2      GLN  47   8.148   1.253  -1.875
  305   2HE2  GLN  47          2HE2      GLN  47   8.961   1.652  -0.404
  306    H    ASN  48           HN       ASN  48   8.072   0.714  -3.774
  307    HA   ASN  48           HA       ASN  48   8.142  -1.444  -5.585
  308   1HB   ASN  48           HB2      ASN  48  10.094  -0.277  -3.632
  309   2HB   ASN  48           HB1      ASN  48  10.464  -1.812  -4.411
  310   1HD2  ASN  48          1HD2      ASN  48   9.026   1.269  -5.440
  311   2HD2  ASN  48          2HD2      ASN  48  10.050   1.481  -6.815
  312    H    GLN  49           HN       GLN  49   8.682  -3.676  -5.154
  313    HA   GLN  49           HA       GLN  49   7.256  -4.662  -2.830
  314   1HB   GLN  49           HB2      GLN  49   7.106  -6.718  -3.921
  315   2HB   GLN  49           HB1      GLN  49   7.044  -5.559  -5.235
  316   1HG   GLN  49           HG2      GLN  49   9.751  -6.377  -4.670
  317   2HG   GLN  49           HG1      GLN  49   8.704  -7.755  -5.005
  318   1HE2  GLN  49          1HE2      GLN  49   6.964  -6.622  -6.825
  319   2HE2  GLN  49          2HE2      GLN  49   7.827  -6.224  -8.267
  320    H    GLY  50           HN       GLY  50  10.006  -3.386  -2.701
  321   1HA   GLY  50           HA1      GLY  50  11.792  -3.612  -1.283
  322   2HA   GLY  50           HA2      GLY  50  12.060  -5.102  -2.169
  323    H    ASN  51           HN       ASN  51   9.123  -4.806  -0.384
  324    HA   ASN  51           HA       ASN  51   8.293  -6.242   1.204
  325   1HB   ASN  51           HB2      ASN  51  10.474  -7.664   0.449
  326   2HB   ASN  51           HB1      ASN  51  10.897  -7.295   2.119
  327   1HD2  ASN  51          1HD2      ASN  51   8.551  -7.390   3.415
  328   2HD2  ASN  51          2HD2      ASN  51   7.857  -8.969   3.315
  329    H    GLU  52           HN       GLU  52   9.259  -3.539   1.525
  330    HA   GLU  52           HA       GLU  52  10.668  -3.100   3.888
  331   1HB   GLU  52           HB2      GLU  52   8.364  -1.373   2.996
  332   2HB   GLU  52           HB1      GLU  52   9.827  -0.884   3.840
  333   1HG   GLU  52           HG2      GLU  52  10.605  -2.076   1.393
  334   2HG   GLU  52           HG1      GLU  52   9.308  -0.933   1.049
  335    H    SER  53           HN       SER  53   7.371  -4.049   3.331
  336    HA   SER  53           HA       SER  53   7.032  -4.758   6.091
  337   1HB   SER  53           HB2      SER  53   6.338  -2.186   5.563
  338   2HB   SER  53           HB1      SER  53   4.818  -3.007   5.208
  339    HG   SER  53           HG       SER  53   4.664  -2.701   7.329
  340    H    CYS  54           HN       CYS  54   4.373  -5.170   6.232
  341    HA   CYS  54           HA       CYS  54   3.531  -6.584   3.832
  342   1HB   CYS  54           HB2      CYS  54   4.269  -8.524   4.696
  343   2HB   CYS  54           HB1      CYS  54   4.458  -7.857   6.305
  344    H    THR  55           HN       THR  55   1.252  -7.388   4.092
  345    HA   THR  55           HA       THR  55  -0.309  -5.278   5.341
  346    HB   THR  55           HB       THR  55  -0.975  -7.496   3.413
  347    HG1  THR  55           HG1      THR  55  -1.368  -5.725   2.034
  348   1HG2  THR  55          3HG2      THR  55  -2.793  -6.099   5.141
  349   2HG2  THR  55          2HG2      THR  55  -3.090  -5.655   3.457
  350   3HG2  THR  55          1HG2      THR  55  -3.127  -7.350   3.941
  351    H    GLY  56           HN       GLY  56  -1.826  -5.625   6.939
  352   1HA   GLY  56           HA1      GLY  56  -2.079  -8.353   7.990
  353   2HA   GLY  56           HA2      GLY  56  -3.152  -7.011   8.351
  354    H    ASN  57           HN       ASN  57  -0.285  -5.582   8.562
  355    HA   ASN  57           HA       ASN  57   0.611  -6.613  11.097
  356   1HB   ASN  57           HB2      ASN  57   1.377  -4.076   9.638
  357   2HB   ASN  57           HB1      ASN  57   2.198  -4.728  11.052
  358   1HD2  ASN  57          1HD2      ASN  57   2.105  -7.456  10.316
  359   2HD2  ASN  57          2HD2      ASN  57   3.174  -7.677   8.980
  360    H    GLY  58           HN       GLY  58  -2.093  -4.985  10.371
  361   1HA   GLY  58           HA1      GLY  58  -3.419  -3.437  11.459
  362   2HA   GLY  58           HA2      GLY  58  -1.998  -2.888  12.337
  363    H    SER  59           HN       SER  59  -3.149  -6.211  12.225
  364    HA   SER  59           HA       SER  59  -3.179  -6.327  15.092
  365   1HB   SER  59           HB2      SER  59  -5.780  -6.477  13.565
  366   2HB   SER  59           HB1      SER  59  -5.589  -7.072  15.214
  367    HG   SER  59           HG       SER  59  -6.259  -4.702  14.626
  368    H    TYR  60           HN       TYR  60  -4.113  -7.916  12.070
  369    HA   TYR  60           HA       TYR  60  -3.826 -10.549  13.260
  370   1HB   TYR  60           HB2      TYR  60  -4.074 -10.641  10.391
  371   2HB   TYR  60           HB1      TYR  60  -5.193 -11.213  11.619
  372    HD1  TYR  60           HD1      TYR  60  -4.880  -9.138   8.880
  373    HD2  TYR  60           HD2      TYR  60  -6.544  -9.172  12.791
  374    HE1  TYR  60           HE1      TYR  60  -6.469  -7.390   8.207
  375    HE2  TYR  60           HE2      TYR  60  -8.139  -7.418  12.134
  376    HH   TYR  60           HH       TYR  60  -7.815  -5.584   9.359
  377    HA   PRO  61           HA       PRO  61   0.197 -11.393  11.556
  378   1HB   PRO  61           HB2      PRO  61   0.115 -13.922  10.776
  379   2HB   PRO  61           HB1      PRO  61  -0.273 -13.503  12.450
  380   1HG   PRO  61           HG2      PRO  61  -2.112 -14.180  10.191
  381   2HG   PRO  61           HG1      PRO  61  -2.219 -14.639  11.900
  382   1HD   PRO  61           HD2      PRO  61  -3.582 -12.521  10.676
  383   2HD   PRO  61           HD1      PRO  61  -3.369 -12.748  12.423
  384    H    CYS  62           HN       CYS  62   1.477 -12.323   9.631
  385    HA   CYS  62           HA       CYS  62   0.448 -11.107   7.211
  386   1HB   CYS  62           HB2      CYS  62   3.098 -12.309   7.987
  387   2HB   CYS  62           HB1      CYS  62   2.736 -11.909   6.312
  388    H    CYS  63           HN       CYS  63   0.789 -12.348   5.104
  389    HA   CYS  63           HA       CYS  63  -0.307 -15.049   5.461
  390   1HB   CYS  63           HB2      CYS  63  -1.145 -12.889   3.878
  391   2HB   CYS  63           HB1      CYS  63  -0.465 -14.055   2.752
  392    H    ASN  64           HN       ASN  64   1.969 -13.222   3.477
  393    HA   ASN  64           HA       ASN  64   4.029 -13.798   2.666
  394   1HB   ASN  64           HB2      ASN  64   3.615 -16.639   3.583
  395   2HB   ASN  64           HB1      ASN  64   5.131 -15.793   3.295
  396   1HD2  ASN  64          1HD2      ASN  64   2.655 -16.511   5.533
  397   2HD2  ASN  64          2HD2      ASN  64   3.312 -15.653   6.883
  398    H    THR  65           HN       THR  65   1.221 -14.411   1.525
  399    HA   THR  65           HA       THR  65   2.172 -16.065  -0.705
  400    HB   THR  65           HB       THR  65   0.342 -17.071   0.662
  401    HG1  THR  65           HG1      THR  65  -0.447 -17.918  -1.098
  402   1HG2  THR  65          3HG2      THR  65  -1.169 -14.656  -0.269
  403   2HG2  THR  65          2HG2      THR  65  -1.968 -16.158   0.196
  404   3HG2  THR  65          1HG2      THR  65  -0.987 -15.282   1.370
  405    H    CYS  66           HN       CYS  66   1.875 -15.306  -2.774
  406    HA   CYS  66           HA       CYS  66   1.113 -12.496  -2.957
  407   1HB   CYS  66           HB2      CYS  66   2.261 -14.153  -5.196
  408   2HB   CYS  66           HB1      CYS  66   2.299 -12.401  -5.000
  409    H    GLN  67           HN       GLN  67  -0.913 -14.362  -2.513
  410    HA   GLN  67           HA       GLN  67  -2.461 -14.089  -4.994
  411   1HB   GLN  67           HB2      GLN  67  -2.331 -16.377  -4.979
  412   2HB   GLN  67           HB1      GLN  67  -2.025 -16.456  -3.253
  413   1HG   GLN  67           HG2      GLN  67  -4.728 -15.578  -3.823
  414   2HG   GLN  67           HG1      GLN  67  -4.364 -17.130  -4.570
  415   1HE2  GLN  67          1HE2      GLN  67  -2.963 -15.909  -1.584
  416   2HE2  GLN  67          2HE2      GLN  67  -3.672 -17.099  -0.551
  417    H    ALA  68           HN       ALA  68  -3.366 -12.174  -4.314
  418    HA   ALA  68           HA       ALA  68  -4.626 -11.996  -1.727
  419   1HB   ALA  68           HB2      ALA  68  -3.965 -10.115  -3.902
  420   2HB   ALA  68           HB1      ALA  68  -5.351  -9.713  -2.888
  421   3HB   ALA  68           HB3      ALA  68  -3.766  -9.960  -2.156
  422    H    THR  69           HN       THR  69  -6.544 -12.747  -1.373
  423    HA   THR  69           HA       THR  69  -8.404 -13.173  -3.572
  424    HB   THR  69           HB       THR  69  -8.641 -15.059  -2.355
  425    HG1  THR  69           HG1      THR  69 -10.624 -13.864  -1.974
  426   1HG2  THR  69          2HG2      THR  69  -7.843 -13.575   0.137
  427   2HG2  THR  69          1HG2      THR  69  -8.177 -15.306   0.029
  428   3HG2  THR  69          3HG2      THR  69  -6.808 -14.614  -0.846
  429    H    TYR  70           HN       TYR  70  -7.855 -10.926  -1.024
  430    HA   TYR  70           HA       TYR  70 -10.189  -9.435  -1.856
  431   1HB   TYR  70           HB2      TYR  70 -11.506  -9.730  -0.055
  432   2HB   TYR  70           HB1      TYR  70 -10.528 -11.160   0.242
  433    HD1  TYR  70           HD1      TYR  70  -9.630 -11.435   2.343
  434    HD2  TYR  70           HD2      TYR  70 -10.508  -7.491   1.008
  435    HE1  TYR  70           HE1      TYR  70  -9.000 -10.553   4.550
  436    HE2  TYR  70           HE2      TYR  70  -9.878  -6.599   3.210
  437    HH   TYR  70           HH       TYR  70  -9.770  -7.500   5.600
  438    H    THR  71           HN       THR  71  -9.801  -7.311  -1.843
  439    HA   THR  71           HA       THR  71  -7.522  -6.334  -0.249
  440    HB   THR  71           HB       THR  71  -8.451  -5.366  -2.961
  441    HG1  THR  71           HG1      THR  71  -6.388  -6.138  -3.602
  442   1HG2  THR  71          1HG2      THR  71  -7.273  -3.773  -1.133
  443   2HG2  THR  71          3HG2      THR  71  -5.857  -4.479  -1.913
  444   3HG2  THR  71          2HG2      THR  71  -7.055  -3.615  -2.876
  445    H    ASP  72           HN       ASP  72  -8.267  -5.183   1.403
  446    HA   ASP  72           HA       ASP  72  -9.986  -2.934   0.930
  447   1HB   ASP  72           HB2      ASP  72 -11.529  -4.974   1.156
  448   2HB   ASP  72           HB1      ASP  72 -11.064  -4.981   2.855
  449    H    GLY  73           HN       GLY  73 -10.200  -1.539   2.756
  450   1HA   GLY  73           HA1      GLY  73  -8.780  -2.206   5.190
  451   2HA   GLY  73           HA2      GLY  73  -9.664  -0.723   4.869
  452    H    ASP  74           HN       ASP  74  -6.661  -2.442   4.086
  453    HA   ASP  74           HA       ASP  74  -5.383   0.195   3.745
  454   1HB   ASP  74           HB2      ASP  74  -3.321  -0.824   4.710
  455   2HB   ASP  74           HB1      ASP  74  -4.660  -0.731   5.849
  456    H    GLY  75           HN       GLY  75  -5.820  -3.001   2.513
  457   1HA   GLY  75           HA1      GLY  75  -3.561  -3.137   0.826
  458   2HA   GLY  75           HA2      GLY  75  -4.890  -2.376  -0.036
  459    H    ASP  76           HN       ASP  76  -3.436  -5.032  -0.204
  460    HA   ASP  76           HA       ASP  76  -5.775  -6.597  -0.817
  461   1HB   ASP  76           HB2      ASP  76  -2.920  -7.520  -1.069
  462   2HB   ASP  76           HB1      ASP  76  -4.326  -8.050  -1.984
  463    H    TRP  77           HN       TRP  77  -5.681  -8.996  -0.277
  464    HA   TRP  77           HA       TRP  77  -4.438  -9.712   2.214
  465   1HB   TRP  77           HB2      TRP  77  -7.451  -9.507   2.096
  466   2HB   TRP  77           HB1      TRP  77  -6.512 -10.144   3.439
  467    HD1  TRP  77           HD1      TRP  77  -7.448  -6.837   1.748
  468    HE1  TRP  77           HE1      TRP  77  -6.913  -4.913   3.360
  469    HE3  TRP  77           HE3      TRP  77  -5.019  -9.483   5.381
  470    HZ2  TRP  77           HZ2      TRP  77  -5.636  -4.560   5.840
  471    HZ3  TRP  77           HZ3      TRP  77  -4.171  -8.273   7.339
  472    HH2  TRP  77           HH2      TRP  77  -4.472  -5.857   7.567
  473    H    ALA  78           HN       ALA  78  -4.633 -11.916   2.719
  474    HA   ALA  78           HA       ALA  78  -5.964 -13.607   0.749
  475   1HB   ALA  78           HB3      ALA  78  -3.035 -13.755   1.441
  476   2HB   ALA  78           HB2      ALA  78  -3.915 -15.035   0.603
  477   3HB   ALA  78           HB1      ALA  78  -3.760 -13.441  -0.137
  478    H    PHE  79           HN       PHE  79  -6.186 -15.847   1.452
  479    HA   PHE  79           HA       PHE  79  -6.223 -16.052   4.390
  480   1HB   PHE  79           HB2      PHE  79  -8.439 -16.063   3.140
  481   2HB   PHE  79           HB1      PHE  79  -7.958 -17.627   2.490
  482    HD1  PHE  79           HD1      PHE  79  -9.041 -19.364   3.504
  483    HD2  PHE  79           HD2      PHE  79  -7.852 -16.029   5.864
  484    HE1  PHE  79           HE1      PHE  79  -9.931 -20.473   5.512
  485    HE2  PHE  79           HE2      PHE  79  -8.738 -17.132   7.877
  486    HZ   PHE  79           HZ       PHE  79  -9.779 -19.357   7.703
  487    H    GLU  80           HN       GLU  80  -4.501 -17.190   5.019
  488    HA   GLU  80           HA       GLU  80  -4.021 -19.778   3.704
  489   1HB   GLU  80           HB2      GLU  80  -1.692 -19.498   3.722
  490   2HB   GLU  80           HB1      GLU  80  -2.307 -17.951   3.162
  491   1HG   GLU  80           HG2      GLU  80  -1.096 -16.976   4.733
  492   2HG   GLU  80           HG1      GLU  80  -2.148 -17.716   5.938
  493    H    ASN  81           HN       ASN  81  -3.219 -21.447   5.056
  494    HA   ASN  81           HA       ASN  81  -3.279 -22.702   6.955
  495   1HB   ASN  81           HB2      ASN  81  -1.996 -20.140   7.803
  496   2HB   ASN  81           HB1      ASN  81  -2.391 -21.334   9.036
  497   1HD2  ASN  81          1HD2      ASN  81   0.176 -20.303   7.843
  498   2HD2  ASN  81          2HD2      ASN  81   1.051 -21.730   7.420
  499    H    GLY  82           HN       GLY  82  -5.668 -21.041   6.246
  500   1HA   GLY  82           HA1      GLY  82  -7.258 -21.702   8.495
  501   2HA   GLY  82           HA2      GLY  82  -7.780 -20.766   7.102
  502    H    ASN  83           HN       ASN  83  -6.003 -18.601   7.300
  503    HA   ASN  83           HA       ASN  83  -7.241 -17.188   9.516
  504   1HB   ASN  83           HB2      ASN  83  -5.078 -16.277  10.320
  505   2HB   ASN  83           HB1      ASN  83  -5.214 -18.015  10.564
  506   1HD2  ASN  83          1HD2      ASN  83  -3.329 -18.938  10.274
  507   2HD2  ASN  83          2HD2      ASN  83  -2.193 -18.572   9.026
  508    H    TRP  84           HN       TRP  84  -7.541 -15.042   9.123
  509    HA   TRP  84           HA       TRP  84  -7.188 -14.149   6.421
  510   1HB   TRP  84           HB2      TRP  84  -8.479 -13.076   8.884
  511   2HB   TRP  84           HB1      TRP  84  -8.055 -11.931   7.617
  512    HD1  TRP  84           HD1      TRP  84 -11.000 -13.467   8.672
  513    HE1  TRP  84           HE1      TRP  84 -12.617 -14.046   6.755
  514    HE3  TRP  84           HE3      TRP  84  -7.735 -13.201   4.747
  515    HZ2  TRP  84           HZ2      TRP  84 -12.521 -14.351   3.950
  516    HZ3  TRP  84           HZ3      TRP  84  -8.578 -13.651   2.479
  517    HH2  TRP  84           HH2      TRP  84 -10.921 -14.214   2.090
  518    H    CYS  85           HN       CYS  85  -5.073 -13.875   5.924
  519    HA   CYS  85           HA       CYS  85  -3.523 -11.989   7.566
  520   1HB   CYS  85           HB2      CYS  85  -1.665 -13.053   5.907
  521   2HB   CYS  85           HB1      CYS  85  -2.032 -13.690   7.503
  522    H    GLY  86           HN       GLY  86  -1.835 -10.753   6.204
  523   1HA   GLY  86           HA1      GLY  86  -2.129  -8.742   4.897
  524   2HA   GLY  86           HA2      GLY  86  -3.274  -9.619   3.894
  525    H    ILE  87           HN       ILE  87  -2.040  -8.921   2.050
  526    HA   ILE  87           HA       ILE  87  -0.021 -10.837   1.334
  527    HB   ILE  87           HB       ILE  87  -1.781  -9.008  -0.067
  528   1HG1  ILE  87          2HG1      ILE  87  -1.792 -10.681  -1.718
  529   2HG1  ILE  87          1HG1      ILE  87  -0.184 -11.245  -1.287
  530   1HG2  ILE  87          1HG2      ILE  87   0.242  -7.731  -0.517
  531   2HG2  ILE  87          3HG2      ILE  87   1.035  -9.188  -1.122
  532   3HG2  ILE  87          2HG2      ILE  87  -0.352  -8.518  -1.980
  533   1HD1  ILE  87          2HD1      ILE  87  -2.645 -11.570   0.408
  534   2HD1  ILE  87          1HD1      ILE  87  -1.955 -12.802  -0.650
  535   3HD1  ILE  87          3HD1      ILE  87  -1.043 -12.226   0.741
  536    H    LYS  88           HN       LYS  88   2.107 -10.586   1.174
  537    HA   LYS  88           HA       LYS  88   3.415  -8.476   2.540
  538   1HB   LYS  88           HB2      LYS  88   4.785 -10.317   0.595
  539   2HB   LYS  88           HB1      LYS  88   5.421  -9.611   2.074
  540   1HG   LYS  88           HG2      LYS  88   3.339 -11.778   1.889
  541   2HG   LYS  88           HG1      LYS  88   5.026 -11.980   2.357
  542   1HD   LYS  88           HD2      LYS  88   3.551  -9.964   3.887
  543   2HD   LYS  88           HD1      LYS  88   2.971 -11.615   4.093
  544   1HE   LYS  88           HE2      LYS  88   4.577 -11.490   5.740
  545   2HE   LYS  88           HE1      LYS  88   5.499 -12.169   4.400
  546   1HZ   LYS  88           HZ2      LYS  88   5.830  -9.546   3.999
  547   2HZ   LYS  88           HZ1      LYS  88   5.736  -9.588   5.687
  548   3HZ   LYS  88           HZ3      LYS  88   6.904 -10.509   4.880
  549    H    ASN  89           HN       ASN  89   4.907  -6.940   1.713
  550    HA   ASN  89           HA       ASN  89   3.998  -5.506  -0.529
  551   1HB   ASN  89           HB2      ASN  89   6.200  -5.291   1.407
  552   2HB   ASN  89           HB1      ASN  89   6.574  -4.618  -0.177
  553   1HD2  ASN  89          1HD2      ASN  89   6.587  -2.855   1.731
  554   2HD2  ASN  89          2HD2      ASN  89   5.162  -1.877   1.744
  555    H    SER  90           HN       SER  90   6.333  -8.047  -0.140
  556    HA   SER  90           HA       SER  90   7.743  -7.726  -2.575
  557   1HB   SER  90           HB2      SER  90   7.517  -9.735  -0.450
  558   2HB   SER  90           HB1      SER  90   7.826 -10.432  -2.041
  559    HG   SER  90           HG       SER  90   9.334  -8.253  -1.063
  560    H    CYS  91           HN       CYS  91   4.697  -9.114  -1.758
  561    HA   CYS  91           HA       CYS  91   4.399 -10.423  -4.329
  562   1HB   CYS  91           HB2      CYS  91   2.568 -10.230  -1.934
  563   2HB   CYS  91           HB1      CYS  91   2.188 -11.115  -3.406
  564    H    LYS  92           HN       LYS  92   4.756  -7.830  -4.799
  565    HA   LYS  92           HA       LYS  92   2.106  -6.629  -5.169
  566   1HB   LYS  92           HB2      LYS  92   4.891  -5.547  -5.066
  567   2HB   LYS  92           HB1      LYS  92   3.673  -4.665  -5.977
  568   1HG   LYS  92           HG2      LYS  92   2.269  -4.581  -3.946
  569   2HG   LYS  92           HG1      LYS  92   3.574  -5.363  -3.051
  570   1HD   LYS  92           HD2      LYS  92   4.442  -3.031  -4.582
  571   2HD   LYS  92           HD1      LYS  92   3.237  -2.653  -3.351
  572   1HE   LYS  92           HE2      LYS  92   4.821  -4.215  -1.896
  573   2HE   LYS  92           HE1      LYS  92   6.011  -3.655  -3.067
  574   1HZ   LYS  92           HZ1      LYS  92   5.009  -1.344  -2.481
  575   2HZ   LYS  92           HZ3      LYS  92   4.512  -2.120  -1.062
  576   3HZ   LYS  92           HZ2      LYS  92   6.155  -2.050  -1.458
  577    H    GLN  93           HN       GLN  93   5.093  -7.356  -6.899
  578    HA   GLN  93           HA       GLN  93   3.522  -7.629  -9.374
  579   1HB   GLN  93           HB2      GLN  93   6.293  -6.472  -9.436
  580   2HB   GLN  93           HB1      GLN  93   5.047  -6.407 -10.672
  581   1HG   GLN  93           HG2      GLN  93   5.045  -4.919  -8.057
  582   2HG   GLN  93           HG1      GLN  93   5.350  -4.237  -9.654
  583   1HE2  GLN  93          1HE2      GLN  93   3.299  -3.577  -7.676
  584   2HE2  GLN  93          2HE2      GLN  93   1.783  -3.775  -8.480
  585    H    GLN  94           HN       GLN  94   6.503  -8.334  -7.651
  586    HA   GLN  94           HA       GLN  94   6.486 -11.051  -8.587
  587   1HB   GLN  94           HB2      GLN  94   8.876 -10.885  -9.421
  588   2HB   GLN  94           HB1      GLN  94   7.651 -10.177 -10.463
  589   1HG   GLN  94           HG2      GLN  94   8.450  -8.103  -8.790
  590   2HG   GLN  94           HG1      GLN  94   9.937  -8.952  -9.210
  591   1HE2  GLN  94          1HE2      GLN  94   6.932  -8.124 -10.915
  592   2HE2  GLN  94          2HE2      GLN  94   7.706  -7.411 -12.285
  593    HA   PRO  95           HA       PRO  95   8.058 -11.748  -4.528
  594   1HB   PRO  95           HB2      PRO  95   9.865 -13.797  -5.161
  595   2HB   PRO  95           HB1      PRO  95   8.166 -14.004  -4.731
  596   1HG   PRO  95           HG2      PRO  95   9.448 -13.941  -7.421
  597   2HG   PRO  95           HG1      PRO  95   8.076 -14.908  -6.849
  598   1HD   PRO  95           HD2      PRO  95   7.712 -12.774  -8.424
  599   2HD   PRO  95           HD1      PRO  95   6.573 -13.154  -7.114
  600    H    GLN  96           HN       GLN  96   9.170  -9.725  -4.384
  601    HA   GLN  96           HA       GLN  96  11.549  -8.971  -5.465
  602   1HB   GLN  96           HB2      GLN  96  11.325  -7.246  -4.057
  603   2HB   GLN  96           HB1      GLN  96   9.921  -8.071  -3.400
  604   1HG   GLN  96           HG2      GLN  96  11.219  -7.511  -1.543
  605   2HG   GLN  96           HG1      GLN  96  11.533  -9.224  -1.808
  606   1HE2  GLN  96          1HE2      GLN  96  12.845  -6.350  -3.422
  607   2HE2  GLN  96          2HE2      GLN  96  14.497  -6.682  -3.043
  608    H    ASN  97           HN       ASN  97  13.706  -9.304  -5.130
  609    HA   ASN  97           HA       ASN  97  14.459 -11.355  -3.159
  610   1HB   ASN  97           HB2      ASN  97  14.394 -11.863  -5.825
  611   2HB   ASN  97           HB1      ASN  97  16.043 -11.272  -5.652
  612   1HD2  ASN  97          1HD2      ASN  97  13.762 -13.727  -4.691
  613   2HD2  ASN  97          2HD2      ASN  97  14.927 -14.862  -4.111
  614    H    ASN  98           HN       ASN  98  17.166 -11.389  -3.558
  615    HA   ASN  98           HA       ASN  98  18.042  -9.170  -2.102
  616   1HB   ASN  98           HB2      ASN  98  19.120 -11.566  -2.645
  617   2HB   ASN  98           HB1      ASN  98  20.024 -10.591  -3.800
  618   1HD2  ASN  98          1HD2      ASN  98  21.903  -9.973  -3.047
  619   2HD2  ASN  98          2HD2      ASN  98  22.265  -9.556  -1.410
  620    H    ASN  99           HN       ASN  99  17.817  -7.157  -2.884
  621    HA   ASN  99           HA       ASN  99  18.230  -6.531  -5.658
  622   1HB   ASN  99           HB2      ASN  99  16.551  -5.343  -4.283
  623   2HB   ASN  99           HB1      ASN  99  17.848  -4.676  -3.297
  624   1HD2  ASN  99          1HD2      ASN  99  16.242  -2.895  -4.349
  625   2HD2  ASN  99          2HD2      ASN  99  16.960  -2.082  -5.694
  626    H    GLN 100           HN       GLN 100  20.222  -6.496  -6.468
  627    HA   GLN 100           HA       GLN 100  22.573  -6.139  -4.954
  628   1HB   GLN 100           HB2      GLN 100  23.722  -6.017  -7.118
  629   2HB   GLN 100           HB1      GLN 100  22.565  -7.341  -7.080
  630   1HG   GLN 100           HG2      GLN 100  20.966  -5.584  -8.164
  631   2HG   GLN 100           HG1      GLN 100  22.475  -4.787  -8.606
  632   1HE2  GLN 100          1HE2      GLN 100  21.161  -8.088  -8.560
  633   2HE2  GLN 100          2HE2      GLN 100  21.708  -8.509 -10.144

  No H/Q in entry =         633
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1   6.738   7.234  -4.294
    2    H2   ALA   1           HT3      ALA   1   7.710   5.968  -4.916
    3    H3   ALA   1           HT2      ALA   1   7.521   7.421  -5.809
    4    HA   ALA   1           HA       ALA   1   6.160   5.944  -6.855
    5   1HB   ALA   1           HB1      ALA   1   4.382   4.844  -5.097
    6   2HB   ALA   1           HB2      ALA   1   5.879   4.850  -4.162
    7   3HB   ALA   1           HB3      ALA   1   5.823   4.045  -5.729
    8    H    MET   2           HN       MET   2   3.565   5.878  -6.846
    9    HA   MET   2           HA       MET   2   2.238   8.030  -5.553
   10   1HB   MET   2           HB2      MET   2   1.822   9.146  -7.960
   11   2HB   MET   2           HB1      MET   2   3.075   9.683  -6.854
   12   1HG   MET   2           HG2      MET   2   4.136   9.538  -8.918
   13   2HG   MET   2           HG1      MET   2   4.619   8.068  -8.079
   14   1HE   MET   2           HE3      MET   2   4.406   6.009  -8.644
   15   2HE   MET   2           HE2      MET   2   2.732   5.505  -8.874
   16   3HE   MET   2           HE1      MET   2   3.887   5.354 -10.198
   17    H    ALA   3           HN       ALA   3   0.582   6.611  -5.174
   18    HA   ALA   3           HA       ALA   3  -1.275   6.224  -7.345
   19   1HB   ALA   3           HB2      ALA   3  -0.877   3.654  -6.033
   20   2HB   ALA   3           HB3      ALA   3   0.530   4.193  -6.954
   21   3HB   ALA   3           HB1      ALA   3  -1.039   4.042  -7.746
   22    H    CYS   4           HN       CYS   4  -1.196   7.613  -4.807
   23    HA   CYS   4           HA       CYS   4  -2.699   6.223  -2.845
   24   1HB   CYS   4           HB2      CYS   4  -1.416   8.715  -3.071
   25   2HB   CYS   4           HB1      CYS   4  -3.100   9.075  -2.719
   26    H    TRP   5           HN       TRP   5  -4.847   6.904  -2.091
   27    HA   TRP   5           HA       TRP   5  -6.684   7.122  -4.353
   28   1HB   TRP   5           HB2      TRP   5  -8.415   6.613  -2.523
   29   2HB   TRP   5           HB1      TRP   5  -7.294   5.323  -2.950
   30    HD1  TRP   5           HD1      TRP   5  -5.882   4.327  -1.037
   31    HE1  TRP   5           HE1      TRP   5  -5.566   4.850   1.465
   32    HE3  TRP   5           HE3      TRP   5  -8.399   8.731  -0.850
   33    HZ2  TRP   5           HZ2      TRP   5  -6.311   6.892   3.281
   34    HZ3  TRP   5           HZ3      TRP   5  -8.568   9.923   1.297
   35    HH2  TRP   5           HH2      TRP   5  -7.542   9.020   3.320
   36    H    ALA   6           HN       ALA   6  -5.374   8.944  -1.763
   37    HA   ALA   6           HA       ALA   6  -7.449  10.816  -1.360
   38   1HB   ALA   6           HB3      ALA   6  -4.469  11.085  -0.949
   39   2HB   ALA   6           HB2      ALA   6  -5.681  12.228  -0.365
   40   3HB   ALA   6           HB1      ALA   6  -5.659  10.575   0.250
   41    H    GLN   7           HN       GLN   7  -4.899  10.521  -3.729
   42    HA   GLN   7           HA       GLN   7  -4.869  13.128  -4.742
   43   1HB   GLN   7           HB2      GLN   7  -4.013  12.066  -6.842
   44   2HB   GLN   7           HB1      GLN   7  -3.148  11.589  -5.388
   45   1HG   GLN   7           HG2      GLN   7  -3.426   9.497  -6.068
   46   2HG   GLN   7           HG1      GLN   7  -5.117   9.680  -5.601
   47   1HE2  GLN   7          1HE2      GLN   7  -2.855   9.647  -8.240
   48   2HE2  GLN   7          2HE2      GLN   7  -4.022   9.509  -9.506
   49    H    SER   8           HN       SER   8  -7.124  10.516  -5.188
   50    HA   SER   8           HA       SER   8  -8.392  11.268  -7.541
   51   1HB   SER   8           HB2      SER   8  -9.753  10.133  -5.086
   52   2HB   SER   8           HB1      SER   8 -10.305  10.006  -6.757
   53    HG   SER   8           HG       SER   8  -8.059   8.786  -5.549
   54    H    GLN   9           HN       GLN   9  -8.449  12.749  -4.419
   55    HA   GLN   9           HA       GLN   9 -10.669  14.495  -5.222
   56   1HB   GLN   9           HB2      GLN   9  -9.443  14.309  -2.475
   57   2HB   GLN   9           HB1      GLN   9 -10.996  15.003  -2.921
   58   1HG   GLN   9           HG2      GLN   9 -12.037  13.028  -2.843
   59   2HG   GLN   9           HG1      GLN   9 -10.709  12.185  -3.637
   60   1HE2  GLN   9          1HE2      GLN   9 -12.214  12.964  -0.672
   61   2HE2  GLN   9          2HE2      GLN   9 -11.144  12.089   0.364
   62    H    GLY  10           HN       GLY  10  -7.276  14.414  -4.861
   63   1HA   GLY  10           HA1      GLY  10  -7.199  17.369  -4.962
   64   2HA   GLY  10           HA2      GLY  10  -6.147  16.345  -5.926
   65    H    TYR  11           HN       TYR  11  -6.036  14.564  -3.376
   66    HA   TYR  11           HA       TYR  11  -4.144  16.230  -1.856
   67   1HB   TYR  11           HB2      TYR  11  -5.971  13.997  -1.126
   68   2HB   TYR  11           HB1      TYR  11  -4.445  14.105  -0.259
   69    HD1  TYR  11           HD1      TYR  11  -7.735  15.548  -0.741
   70    HD2  TYR  11           HD2      TYR  11  -3.963  16.093   1.154
   71    HE1  TYR  11           HE1      TYR  11  -8.736  17.207   0.767
   72    HE2  TYR  11           HE2      TYR  11  -4.955  17.750   2.666
   73    HH   TYR  11           HH       TYR  11  -8.351  18.236   2.896
   74    H    ASN  12           HN       ASN  12  -2.030  15.678  -1.758
   75    HA   ASN  12           HA       ASN  12  -1.092  13.548  -3.465
   76   1HB   ASN  12           HB2      ASN  12   1.180  14.325  -2.662
   77   2HB   ASN  12           HB1      ASN  12   0.217  15.554  -3.478
   78   1HD2  ASN  12          1HD2      ASN  12   2.038  14.845  -0.786
   79   2HD2  ASN  12          2HD2      ASN  12   1.553  16.161   0.222
   80    H    CYS  13           HN       CYS  13   0.063  11.691  -2.778
   81    HA   CYS  13           HA       CYS  13  -0.905  10.529  -0.402
   82   1HB   CYS  13           HB2      CYS  13   0.125   9.447  -2.591
   83   2HB   CYS  13           HB1      CYS  13   1.593   9.468  -1.623
   84    H    CYS  14           HN       CYS  14   0.425   9.625   1.327
   85    HA   CYS  14           HA       CYS  14   2.307  11.654   2.289
   86   1HB   CYS  14           HB2      CYS  14   0.174  10.300   3.498
   87   2HB   CYS  14           HB1      CYS  14   1.619   9.604   4.218
   88    H    ASN  15           HN       ASN  15   4.187  11.023   1.218
   89    HA   ASN  15           HA       ASN  15   5.355   8.692   0.694
   90   1HB   ASN  15           HB2      ASN  15   6.436  10.871   0.347
   91   2HB   ASN  15           HB1      ASN  15   6.726  11.011   2.078
   92   1HD2  ASN  15          1HD2      ASN  15   8.642  10.436   2.754
   93   2HD2  ASN  15          2HD2      ASN  15   9.735   9.370   1.943
   94    H    ASN  16           HN       ASN  16   5.685   6.857   1.755
   95    HA   ASN  16           HA       ASN  16   6.200   5.359   3.391
   96   1HB   ASN  16           HB2      ASN  16   7.118   7.845   4.841
   97   2HB   ASN  16           HB1      ASN  16   7.172   6.249   5.580
   98   1HD2  ASN  16          1HD2      ASN  16   8.007   7.703   2.464
   99   2HD2  ASN  16          2HD2      ASN  16   9.569   6.977   2.347
  100    HA   PRO  17           HA       PRO  17   1.994   6.827   5.104
  101   1HB   PRO  17           HB2      PRO  17   0.696   4.614   4.037
  102   2HB   PRO  17           HB1      PRO  17   0.708   6.231   3.329
  103   1HG   PRO  17           HG2      PRO  17   2.364   3.848   2.641
  104   2HG   PRO  17           HG1      PRO  17   1.671   5.082   1.575
  105   1HD   PRO  17           HD2      PRO  17   4.275   5.082   2.225
  106   2HD   PRO  17           HD1      PRO  17   3.367   6.594   2.012
  107    H    SER  18           HN       SER  18   3.960   3.979   5.056
  108    HA   SER  18           HA       SER  18   2.529   2.598   7.137
  109   1HB   SER  18           HB2      SER  18   5.381   1.978   6.480
  110   2HB   SER  18           HB1      SER  18   4.051   0.879   6.848
  111    HG   SER  18           HG       SER  18   4.953   1.506   4.483
  112    H    SER  19           HN       SER  19   4.412   5.307   7.136
  113    HA   SER  19           HA       SER  19   5.086   4.951   9.966
  114   1HB   SER  19           HB2      SER  19   7.101   4.641   8.420
  115   2HB   SER  19           HB1      SER  19   6.937   6.354   8.032
  116    HG   SER  19           HG       SER  19   7.688   5.130  10.439
  117    H    THR  20           HN       THR  20   2.921   6.323   8.459
  118    HA   THR  20           HA       THR  20   3.487   9.116   9.119
  119    HB   THR  20           HB       THR  20   1.612   7.751   7.215
  120    HG1  THR  20           HG1      THR  20   3.238   8.450   6.066
  121   1HG2  THR  20          2HG2      THR  20   1.319  10.581   8.166
  122   2HG2  THR  20          1HG2      THR  20   0.526   9.885   6.753
  123   3HG2  THR  20          3HG2      THR  20   0.159   9.268   8.363
  124    H    LYS  21           HN       LYS  21   2.187  10.260  10.505
  125    HA   LYS  21           HA       LYS  21   0.539   8.668  12.302
  126   1HB   LYS  21           HB2      LYS  21   2.122  10.155  13.358
  127   2HB   LYS  21           HB1      LYS  21   1.518  11.525  12.438
  128   1HG   LYS  21           HG2      LYS  21   0.623  11.760  14.596
  129   2HG   LYS  21           HG1      LYS  21  -0.702  11.157  13.596
  130   1HD   LYS  21           HD2      LYS  21  -0.824   9.210  14.716
  131   2HD   LYS  21           HD1      LYS  21   0.929   9.071  14.866
  132   1HE   LYS  21           HE2      LYS  21   0.992  10.367  16.794
  133   2HE   LYS  21           HE1      LYS  21  -0.575  11.104  16.465
  134   1HZ   LYS  21           HZ2      LYS  21  -1.592   8.909  16.890
  135   2HZ   LYS  21           HZ1      LYS  21  -0.075   8.311  17.342
  136   3HZ   LYS  21           HZ3      LYS  21  -0.804   9.545  18.245
  137    H    VAL  22           HN       VAL  22  -1.568   8.469  11.878
  138    HA   VAL  22           HA       VAL  22  -2.903  10.391  10.186
  139    HB   VAL  22           HB       VAL  22  -4.021   7.869  11.408
  140   1HG1  VAL  22          3HG1      VAL  22  -5.278   9.946  10.097
  141   2HG1  VAL  22          2HG1      VAL  22  -5.064   8.727   8.842
  142   3HG1  VAL  22          1HG1      VAL  22  -5.918   8.319  10.332
  143   1HG2  VAL  22          2HG2      VAL  22  -1.942   7.979   9.595
  144   2HG2  VAL  22          1HG2      VAL  22  -3.004   6.601   9.882
  145   3HG2  VAL  22          3HG2      VAL  22  -3.365   7.736   8.583
  146    H    GLU  23           HN       GLU  23  -3.267  12.170  11.401
  147    HA   GLU  23           HA       GLU  23  -4.501  11.911  14.026
  148   1HB   GLU  23           HB2      GLU  23  -4.426  14.527  13.784
  149   2HB   GLU  23           HB1      GLU  23  -2.960  13.628  14.143
  150   1HG   GLU  23           HG2      GLU  23  -2.043  14.031  12.103
  151   2HG   GLU  23           HG1      GLU  23  -3.607  14.125  11.292
  152    H    TYR  24           HN       TYR  24  -5.532  11.748  10.952
  153    HA   TYR  24           HA       TYR  24  -8.183  12.806  11.691
  154   1HB   TYR  24           HB2      TYR  24  -6.768  14.344  10.135
  155   2HB   TYR  24           HB1      TYR  24  -7.180  13.170   8.891
  156    HD1  TYR  24           HD1      TYR  24  -8.305  16.003  10.785
  157    HD2  TYR  24           HD2      TYR  24  -9.630  12.732   8.409
  158    HE1  TYR  24           HE1      TYR  24 -10.463  17.132  10.446
  159    HE2  TYR  24           HE2      TYR  24 -11.792  13.851   8.062
  160    HH   TYR  24           HH       TYR  24 -12.509  16.536   8.148
  161    H    THR  25           HN       THR  25  -9.966  11.880  10.548
  162    HA   THR  25           HA       THR  25  -9.583   9.733   8.708
  163    HB   THR  25           HB       THR  25 -10.632   8.959  11.433
  164    HG1  THR  25           HG1      THR  25  -8.645   8.658  11.973
  165   1HG2  THR  25          2HG2      THR  25 -10.940   7.713   8.974
  166   2HG2  THR  25          1HG2      THR  25  -9.626   6.839   9.764
  167   3HG2  THR  25          3HG2      THR  25 -11.188   7.000  10.569
  168    H    ASP  26           HN       ASP  26 -11.123  10.429   7.373
  169    HA   ASP  26           HA       ASP  26 -13.793  10.987   8.476
  170   1HB   ASP  26           HB2      ASP  26 -12.214  12.469   6.709
  171   2HB   ASP  26           HB1      ASP  26 -13.433  11.718   5.683
  172    H    ALA  27           HN       ALA  27 -15.140  10.742   5.951
  173    HA   ALA  27           HA       ALA  27 -15.434   7.865   5.909
  174   1HB   ALA  27           HB3      ALA  27 -17.227   9.870   5.668
  175   2HB   ALA  27           HB2      ALA  27 -16.966   9.467   3.972
  176   3HB   ALA  27           HB1      ALA  27 -17.507   8.224   5.100
  177    H    SER  28           HN       SER  28 -13.196   9.684   4.547
  178    HA   SER  28           HA       SER  28 -13.294   8.398   1.912
  179   1HB   SER  28           HB2      SER  28 -11.744  10.770   2.960
  180   2HB   SER  28           HB1      SER  28 -11.385  10.011   1.408
  181    HG   SER  28           HG       SER  28 -13.660  11.452   2.206
  182    H    GLY  29           HN       GLY  29 -11.623   8.491   4.935
  183   1HA   GLY  29           HA1      GLY  29  -9.431   6.848   3.899
  184   2HA   GLY  29           HA2      GLY  29 -10.486   6.159   5.124
  185    H    GLN  30           HN       GLN  30  -7.566   6.909   5.089
  186    HA   GLN  30           HA       GLN  30  -7.613   8.434   7.598
  187   1HB   GLN  30           HB2      GLN  30  -6.082   6.131   6.621
  188   2HB   GLN  30           HB1      GLN  30  -5.095   7.350   7.413
  189   1HG   GLN  30           HG2      GLN  30  -5.635   6.273   9.287
  190   2HG   GLN  30           HG1      GLN  30  -7.171   7.129   9.150
  191   1HE2  GLN  30          1HE2      GLN  30  -5.516   4.123   8.375
  192   2HE2  GLN  30          2HE2      GLN  30  -6.933   3.135   8.346
  193    H    TRP  31           HN       TRP  31  -6.280  10.193   7.917
  194    HA   TRP  31           HA       TRP  31  -4.627  11.067   5.653
  195   1HB   TRP  31           HB2      TRP  31  -6.392  12.980   7.178
  196   2HB   TRP  31           HB1      TRP  31  -5.477  13.295   5.710
  197    HD1  TRP  31           HD1      TRP  31  -8.585  11.318   6.884
  198    HE1  TRP  31           HE1      TRP  31 -10.176  11.076   4.875
  199    HE3  TRP  31           HE3      TRP  31  -5.630  13.379   3.259
  200    HZ2  TRP  31           HZ2      TRP  31 -10.175  11.681   2.115
  201    HZ3  TRP  31           HZ3      TRP  31  -6.498  13.508   0.962
  202    HH2  TRP  31           HH2      TRP  31  -8.723  12.677   0.403
  203    H    GLY  32           HN       GLY  32  -2.980  12.611   6.221
  204   1HA   GLY  32           HA1      GLY  32  -1.404  11.975   8.343
  205   2HA   GLY  32           HA2      GLY  32  -2.468  13.224   8.980
  206    H    VAL  33           HN       VAL  33  -0.084  14.070   9.157
  207    HA   VAL  33           HA       VAL  33   0.527  15.564   6.695
  208    HB   VAL  33           HB       VAL  33  -0.486  17.148   8.151
  209   1HG1  VAL  33          3HG1      VAL  33  -0.216  15.741  10.203
  210   2HG1  VAL  33          2HG1      VAL  33   1.430  16.360  10.333
  211   3HG1  VAL  33          1HG1      VAL  33   0.062  17.467  10.442
  212   1HG2  VAL  33          3HG2      VAL  33   1.520  17.944   7.009
  213   2HG2  VAL  33          2HG2      VAL  33   1.331  18.731   8.575
  214   3HG2  VAL  33          1HG2      VAL  33   2.512  17.435   8.377
  215    H    GLN  34           HN       GLN  34   2.295  14.499   6.000
  216    HA   GLN  34           HA       GLN  34   4.462  13.995   7.911
  217   1HB   GLN  34           HB2      GLN  34   3.540  12.181   6.310
  218   2HB   GLN  34           HB1      GLN  34   4.429  13.040   5.059
  219   1HG   GLN  34           HG2      GLN  34   6.276  11.982   5.635
  220   2HG   GLN  34           HG1      GLN  34   6.176  12.671   7.254
  221   1HE2  GLN  34          1HE2      GLN  34   6.162   9.869   5.460
  222   2HE2  GLN  34          2HE2      GLN  34   5.569   8.776   6.662
  223    H    ASN  35           HN       ASN  35   6.488  14.855   7.632
  224    HA   ASN  35           HA       ASN  35   7.956  16.514   7.135
  225   1HB   ASN  35           HB2      ASN  35   8.741  16.519   4.918
  226   2HB   ASN  35           HB1      ASN  35   8.047  14.914   5.130
  227   1HD2  ASN  35          1HD2      ASN  35   6.375  14.290   3.881
  228   2HD2  ASN  35          2HD2      ASN  35   5.673  15.264   2.638
  229    H    GLY  36           HN       GLY  36   5.158  17.303   7.643
  230   1HA   GLY  36           HA1      GLY  36   5.434  20.070   6.991
  231   2HA   GLY  36           HA2      GLY  36   4.079  19.329   7.826
  232    H    GLN  37           HN       GLN  37   3.273  17.496   5.856
  233    HA   GLN  37           HA       GLN  37   1.956  19.328   4.023
  234   1HB   GLN  37           HB2      GLN  37   3.532  16.956   3.005
  235   2HB   GLN  37           HB1      GLN  37   2.528  18.019   2.032
  236   1HG   GLN  37           HG2      GLN  37   4.957  18.917   3.563
  237   2HG   GLN  37           HG1      GLN  37   4.963  18.461   1.862
  238   1HE2  GLN  37          1HE2      GLN  37   2.726  19.592   0.888
  239   2HE2  GLN  37          2HE2      GLN  37   2.794  21.311   1.040
  240    H    TRP  38           HN       TRP  38  -0.101  18.703   3.560
  241    HA   TRP  38           HA       TRP  38  -1.264  16.570   5.010
  242   1HB   TRP  38           HB2      TRP  38  -2.259  18.376   2.822
  243   2HB   TRP  38           HB1      TRP  38  -3.244  17.037   3.397
  244    HD1  TRP  38           HD1      TRP  38  -3.405  20.440   3.769
  245    HE1  TRP  38           HE1      TRP  38  -4.117  21.239   6.112
  246    HE3  TRP  38           HE3      TRP  38  -2.459  16.164   6.412
  247    HZ2  TRP  38           HZ2      TRP  38  -4.261  20.193   8.729
  248    HZ3  TRP  38           HZ3      TRP  38  -2.913  16.147   8.830
  249    HH2  TRP  38           HH2      TRP  38  -3.796  18.121   9.962
  250    H    CYS  39           HN       CYS  39  -2.059  14.576   4.317
  251    HA   CYS  39           HA       CYS  39  -2.007  13.679   1.658
  252   1HB   CYS  39           HB2      CYS  39  -0.080  11.920   2.324
  253   2HB   CYS  39           HB1      CYS  39   0.225  13.395   1.425
  254    H    GLY  40           HN       GLY  40  -2.498  11.401   1.431
  255   1HA   GLY  40           HA1      GLY  40  -4.183   9.878   2.093
  256   2HA   GLY  40           HA2      GLY  40  -4.002  10.435   3.751
  257    H    ILE  41           HN       ILE  41  -3.784   8.337   4.575
  258    HA   ILE  41           HA       ILE  41  -1.106   7.247   4.257
  259    HB   ILE  41           HB       ILE  41  -3.278   6.890   6.283
  260   1HG1  ILE  41          2HG1      ILE  41  -1.155   7.255   7.747
  261   2HG1  ILE  41          1HG1      ILE  41  -0.428   7.809   6.241
  262   1HG2  ILE  41          2HG2      ILE  41  -1.089   4.955   5.682
  263   2HG2  ILE  41          1HG2      ILE  41  -1.615   5.200   7.348
  264   3HG2  ILE  41          3HG2      ILE  41  -2.768   4.651   6.131
  265   1HD1  ILE  41          2HD1      ILE  41  -3.035   8.987   6.779
  266   2HD1  ILE  41          1HD1      ILE  41  -1.818   9.358   7.999
  267   3HD1  ILE  41          3HD1      ILE  41  -1.518   9.748   6.306
  268    H    ASP  42           HN       ASP  42  -1.045   6.101   2.380
  269    HA   ASP  42           HA       ASP  42  -2.853   3.781   2.208
  270   1HB   ASP  42           HB2      ASP  42  -2.801   5.798   0.372
  271   2HB   ASP  42           HB1      ASP  42  -1.619   4.681  -0.313
  272    H    TYR  43           HN       TYR  43  -1.577   2.214   3.023
  273    HA   TYR  43           HA       TYR  43   1.204   2.034   2.696
  274   1HB   TYR  43           HB2      TYR  43  -0.591  -0.349   3.115
  275   2HB   TYR  43           HB1      TYR  43   1.055  -0.106   3.691
  276    HD1  TYR  43           HD1      TYR  43   0.638   2.745   4.724
  277    HD2  TYR  43           HD2      TYR  43  -1.620  -0.828   5.205
  278    HE1  TYR  43           HE1      TYR  43  -0.237   3.595   6.861
  279    HE2  TYR  43           HE2      TYR  43  -2.501   0.010   7.342
  280    HH   TYR  43           HH       TYR  43  -1.278   2.146   9.126
  281    H    SER  44           HN       SER  44  -1.258   1.532   0.432
  282    HA   SER  44           HA       SER  44   0.605   0.068  -1.300
  283   1HB   SER  44           HB2      SER  44  -2.297  -0.417  -0.793
  284   2HB   SER  44           HB1      SER  44  -1.654  -0.735  -2.405
  285    HG   SER  44           HG       SER  44  -1.404  -2.608  -1.282
  286    H    TYR  45           HN       TYR  45   0.736   2.759  -1.378
  287    HA   TYR  45           HA       TYR  45  -1.063   3.748  -3.413
  288   1HB   TYR  45           HB2      TYR  45  -0.307   5.864  -2.932
  289   2HB   TYR  45           HB1      TYR  45   0.009   5.061  -1.399
  290    HD1  TYR  45           HD1      TYR  45   1.332   7.563  -2.888
  291    HD2  TYR  45           HD2      TYR  45   2.447   3.524  -2.218
  292    HE1  TYR  45           HE1      TYR  45   3.695   8.208  -3.029
  293    HE2  TYR  45           HE2      TYR  45   4.806   4.142  -2.373
  294    HH   TYR  45           HH       TYR  45   5.942   7.184  -2.082
  295    H    GLY  46           HN       GLY  46   0.695   1.528  -4.122
  296   1HA   GLY  46           HA1      GLY  46   1.654   2.615  -6.612
  297   2HA   GLY  46           HA2      GLY  46   1.625   0.922  -6.154
  298    H    GLN  47           HN       GLN  47   3.244   0.413  -4.297
  299    HA   GLN  47           HA       GLN  47   5.776   1.779  -4.944
  300   1HB   GLN  47           HB2      GLN  47   4.550   1.404  -2.422
  301   2HB   GLN  47           HB1      GLN  47   5.938   0.325  -2.466
  302   1HG   GLN  47           HG2      GLN  47   6.359   3.100  -3.397
  303   2HG   GLN  47           HG1      GLN  47   6.095   2.856  -1.671
  304   1HE2  GLN  47          1HE2      GLN  47   7.884   2.642  -0.554
  305   2HE2  GLN  47          2HE2      GLN  47   9.365   1.951  -1.113
  306    H    ASN  48           HN       ASN  48   7.635   0.125  -4.025
  307    HA   ASN  48           HA       ASN  48   7.716  -1.955  -5.914
  308   1HB   ASN  48           HB2      ASN  48   9.375  -1.541  -3.418
  309   2HB   ASN  48           HB1      ASN  48   9.751  -2.698  -4.692
  310   1HD2  ASN  48          1HD2      ASN  48   9.375  -1.409  -6.964
  311   2HD2  ASN  48          2HD2      ASN  48  10.383  -0.010  -7.080
  312    H    GLN  49           HN       GLN  49   7.092  -4.027  -5.855
  313    HA   GLN  49           HA       GLN  49   5.632  -4.950  -3.510
  314   1HB   GLN  49           HB2      GLN  49   4.335  -5.428  -5.343
  315   2HB   GLN  49           HB1      GLN  49   5.713  -5.634  -6.407
  316   1HG   GLN  49           HG2      GLN  49   6.020  -7.861  -5.750
  317   2HG   GLN  49           HG1      GLN  49   4.998  -7.670  -4.326
  318   1HE2  GLN  49          1HE2      GLN  49   4.237  -6.471  -7.536
  319   2HE2  GLN  49          2HE2      GLN  49   2.894  -7.520  -7.813
  320    H    GLY  50           HN       GLY  50   8.472  -4.743  -3.244
  321   1HA   GLY  50           HA1      GLY  50  10.414  -6.058  -3.012
  322   2HA   GLY  50           HA2      GLY  50   9.463  -7.486  -3.388
  323    H    ASN  51           HN       ASN  51   7.375  -6.598  -1.411
  324    HA   ASN  51           HA       ASN  51   6.827  -7.137   0.733
  325   1HB   ASN  51           HB2      ASN  51   8.604  -9.060   0.033
  326   2HB   ASN  51           HB1      ASN  51   9.433  -8.348   1.414
  327   1HD2  ASN  51          1HD2      ASN  51   7.197  -7.614   2.922
  328   2HD2  ASN  51          2HD2      ASN  51   6.422  -9.052   3.484
  329    H    GLU  52           HN       GLU  52   7.864  -4.599   0.240
  330    HA   GLU  52           HA       GLU  52   9.898  -3.902   2.115
  331   1HB   GLU  52           HB2      GLU  52   7.850  -2.131   0.768
  332   2HB   GLU  52           HB1      GLU  52   9.306  -1.584   1.588
  333   1HG   GLU  52           HG2      GLU  52  10.380  -3.293  -0.190
  334   2HG   GLU  52           HG1      GLU  52   8.961  -2.756  -1.087
  335    H    SER  53           HN       SER  53   6.394  -3.973   2.165
  336    HA   SER  53           HA       SER  53   6.373  -3.917   5.040
  337   1HB   SER  53           HB2      SER  53   6.426  -1.460   4.208
  338   2HB   SER  53           HB1      SER  53   4.761  -1.753   3.706
  339    HG   SER  53           HG       SER  53   5.858  -1.617   6.272
  340    H    CYS  54           HN       CYS  54   3.837  -3.673   5.689
  341    HA   CYS  54           HA       CYS  54   2.100  -4.941   3.761
  342   1HB   CYS  54           HB2      CYS  54   1.587  -6.849   5.351
  343   2HB   CYS  54           HB1      CYS  54   3.132  -6.931   4.514
  344    H    THR  55           HN       THR  55  -0.058  -5.530   4.894
  345    HA   THR  55           HA       THR  55  -0.865  -3.175   6.392
  346    HB   THR  55           HB       THR  55  -2.548  -5.412   5.240
  347    HG1  THR  55           HG1      THR  55  -2.946  -3.934   3.566
  348   1HG2  THR  55          1HG2      THR  55  -3.231  -3.126   6.863
  349   2HG2  THR  55          3HG2      THR  55  -4.037  -3.082   5.294
  350   3HG2  THR  55          2HG2      THR  55  -4.227  -4.486   6.346
  351    H    GLY  56           HN       GLY  56  -1.986  -3.294   8.377
  352   1HA   GLY  56           HA1      GLY  56  -2.036  -5.882   9.730
  353   2HA   GLY  56           HA2      GLY  56  -2.784  -4.397  10.302
  354    H    ASN  57           HN       ASN  57   0.070  -3.267   9.428
  355    HA   ASN  57           HA       ASN  57   1.737  -4.301  11.532
  356   1HB   ASN  57           HB2      ASN  57   3.327  -2.562  10.821
  357   2HB   ASN  57           HB1      ASN  57   2.745  -3.513   9.460
  358   1HD2  ASN  57          1HD2      ASN  57   1.285  -2.574   8.000
  359   2HD2  ASN  57          2HD2      ASN  57   1.115  -0.860   7.873
  360    H    GLY  58           HN       GLY  58  -0.887  -2.359  11.621
  361   1HA   GLY  58           HA1      GLY  58  -0.903  -0.148  12.867
  362   2HA   GLY  58           HA2      GLY  58   0.095  -0.996  14.043
  363    H    SER  59           HN       SER  59  -1.594  -3.482  13.322
  364    HA   SER  59           HA       SER  59  -3.495  -3.104  15.450
  365   1HB   SER  59           HB2      SER  59  -5.312  -4.026  13.664
  366   2HB   SER  59           HB1      SER  59  -5.114  -2.321  14.067
  367    HG   SER  59           HG       SER  59  -4.224  -3.732  11.806
  368    H    TYR  60           HN       TYR  60  -3.231  -5.269  12.608
  369    HA   TYR  60           HA       TYR  60  -2.828  -7.505  14.478
  370   1HB   TYR  60           HB2      TYR  60  -4.267  -8.461  12.200
  371   2HB   TYR  60           HB1      TYR  60  -4.739  -8.496  13.893
  372    HD1  TYR  60           HD1      TYR  60  -4.494  -5.890  11.209
  373    HD2  TYR  60           HD2      TYR  60  -6.834  -7.645  14.298
  374    HE1  TYR  60           HE1      TYR  60  -6.314  -4.311  10.717
  375    HE2  TYR  60           HE2      TYR  60  -8.659  -6.068  13.819
  376    HH   TYR  60           HH       TYR  60  -9.020  -3.925  12.791
  377    HA   PRO  61           HA       PRO  61   0.598  -8.989  12.165
  378   1HB   PRO  61           HB2      PRO  61  -0.319 -11.594  11.607
  379   2HB   PRO  61           HB1      PRO  61   0.628 -11.090  13.008
  380   1HG   PRO  61           HG2      PRO  61  -2.321 -11.469  12.747
  381   2HG   PRO  61           HG1      PRO  61  -1.258 -11.819  14.125
  382   1HD   PRO  61           HD2      PRO  61  -2.832  -9.676  14.151
  383   2HD   PRO  61           HD1      PRO  61  -1.170  -9.573  14.776
  384    H    CYS  62           HN       CYS  62   1.294  -9.508  10.053
  385    HA   CYS  62           HA       CYS  62  -0.591  -8.759   7.995
  386   1HB   CYS  62           HB2      CYS  62   2.338  -9.504   7.794
  387   2HB   CYS  62           HB1      CYS  62   1.364  -8.819   6.496
  388    H    CYS  63           HN       CYS  63  -1.305 -10.040   6.308
  389    HA   CYS  63           HA       CYS  63  -1.671 -12.776   6.877
  390   1HB   CYS  63           HB2      CYS  63  -2.195 -11.146   4.396
  391   2HB   CYS  63           HB1      CYS  63  -2.611 -12.850   4.519
  392    H    ASN  64           HN       ASN  64  -0.244 -11.460   3.944
  393    HA   ASN  64           HA       ASN  64   2.043 -11.990   3.287
  394   1HB   ASN  64           HB2      ASN  64   2.973 -14.132   3.499
  395   2HB   ASN  64           HB1      ASN  64   2.135 -13.894   5.024
  396   1HD2  ASN  64          1HD2      ASN  64   1.807 -15.339   1.821
  397   2HD2  ASN  64          2HD2      ASN  64   0.786 -16.643   2.313
  398    H    THR  65           HN       THR  65  -1.039 -12.389   2.478
  399    HA   THR  65           HA       THR  65  -0.390 -13.361  -0.224
  400    HB   THR  65           HB       THR  65  -1.765 -14.989   1.066
  401    HG1  THR  65           HG1      THR  65  -1.998 -14.680  -1.249
  402   1HG2  THR  65          2HG2      THR  65  -3.039 -13.048   2.271
  403   2HG2  THR  65          1HG2      THR  65  -4.113 -13.170   0.877
  404   3HG2  THR  65          3HG2      THR  65  -3.848 -14.573   1.912
  405    H    CYS  66           HN       CYS  66  -1.573 -12.382  -1.948
  406    HA   CYS  66           HA       CYS  66  -2.329  -9.635  -1.369
  407   1HB   CYS  66           HB2      CYS  66  -0.965  -9.693  -3.263
  408   2HB   CYS  66           HB1      CYS  66  -1.677 -11.187  -3.857
  409    H    GLN  67           HN       GLN  67  -3.893 -12.435  -1.143
  410    HA   GLN  67           HA       GLN  67  -6.349 -11.773  -2.502
  411   1HB   GLN  67           HB2      GLN  67  -5.983 -14.086  -2.397
  412   2HB   GLN  67           HB1      GLN  67  -5.421 -14.021  -0.735
  413   1HG   GLN  67           HG2      GLN  67  -8.136 -13.144  -0.830
  414   2HG   GLN  67           HG1      GLN  67  -7.988 -14.670  -1.696
  415   1HE2  GLN  67          1HE2      GLN  67  -6.060 -13.587   1.048
  416   2HE2  GLN  67          2HE2      GLN  67  -6.588 -14.820   2.136
  417    H    ALA  68           HN       ALA  68  -6.989  -9.827  -1.621
  418    HA   ALA  68           HA       ALA  68  -7.370  -9.677   1.256
  419   1HB   ALA  68           HB3      ALA  68  -6.504  -7.823  -0.609
  420   2HB   ALA  68           HB2      ALA  68  -8.136  -7.301  -0.189
  421   3HB   ALA  68           HB1      ALA  68  -6.927  -7.521   1.077
  422    H    THR  69           HN       THR  69  -9.145 -10.921   1.559
  423    HA   THR  69           HA       THR  69 -11.505 -10.873   0.061
  424    HB   THR  69           HB       THR  69 -11.476 -12.701   1.433
  425    HG1  THR  69           HG1      THR  69 -13.035 -12.460   3.001
  426   1HG2  THR  69          2HG2      THR  69 -10.303 -10.935   3.545
  427   2HG2  THR  69          1HG2      THR  69 -10.898 -12.562   3.890
  428   3HG2  THR  69          3HG2      THR  69  -9.577 -12.328   2.741
  429    H    TYR  70           HN       TYR  70 -10.279  -8.623   2.400
  430    HA   TYR  70           HA       TYR  70 -12.591  -6.939   1.944
  431   1HB   TYR  70           HB2      TYR  70 -13.428  -6.852   4.069
  432   2HB   TYR  70           HB1      TYR  70 -12.853  -8.512   4.061
  433    HD1  TYR  70           HD1      TYR  70 -11.454  -9.238   5.767
  434    HD2  TYR  70           HD2      TYR  70 -11.765  -5.068   4.987
  435    HE1  TYR  70           HE1      TYR  70 -10.094  -8.770   7.762
  436    HE2  TYR  70           HE2      TYR  70 -10.406  -4.588   6.980
  437    HH   TYR  70           HH       TYR  70  -8.520  -6.731   8.481
  438    H    THR  71           HN       THR  71 -12.191  -4.776   2.190
  439    HA   THR  71           HA       THR  71  -9.440  -4.039   2.945
  440    HB   THR  71           HB       THR  71 -11.165  -2.872   0.752
  441    HG1  THR  71           HG1      THR  71  -9.809  -3.839  -0.592
  442   1HG2  THR  71          3HG2      THR  71  -9.632  -1.260   2.112
  443   2HG2  THR  71          2HG2      THR  71  -8.341  -2.045   1.198
  444   3HG2  THR  71          1HG2      THR  71  -9.641  -1.211   0.348
  445    H    ASP  72           HN       ASP  72  -9.190  -2.338   4.298
  446    HA   ASP  72           HA       ASP  72 -11.647  -0.970   5.164
  447   1HB   ASP  72           HB2      ASP  72 -10.115  -2.644   6.711
  448   2HB   ASP  72           HB1      ASP  72  -9.460  -1.063   7.124
  449    H    GLY  73           HN       GLY  73 -10.513   0.907   6.834
  450   1HA   GLY  73           HA1      GLY  73  -9.781   3.082   6.673
  451   2HA   GLY  73           HA2      GLY  73  -9.640   2.850   4.939
  452    H    ASP  74           HN       ASP  74  -7.865   0.389   6.203
  453    HA   ASP  74           HA       ASP  74  -5.426   2.046   6.238
  454   1HB   ASP  74           HB2      ASP  74  -6.365  -0.047   8.071
  455   2HB   ASP  74           HB1      ASP  74  -4.697  -0.252   7.545
  456    H    GLY  75           HN       GLY  75  -7.041   0.186   4.224
  457   1HA   GLY  75           HA1      GLY  75  -4.638  -1.241   3.267
  458   2HA   GLY  75           HA2      GLY  75  -5.707  -0.360   2.185
  459    H    ASP  76           HN       ASP  76  -4.982  -3.136   2.035
  460    HA   ASP  76           HA       ASP  76  -7.675  -4.253   2.026
  461   1HB   ASP  76           HB2      ASP  76  -5.541  -5.978   1.004
  462   2HB   ASP  76           HB1      ASP  76  -7.036  -5.462   0.237
  463    H    TRP  77           HN       TRP  77  -7.843  -6.654   2.616
  464    HA   TRP  77           HA       TRP  77  -6.021  -7.551   4.675
  465   1HB   TRP  77           HB2      TRP  77  -8.901  -7.018   5.405
  466   2HB   TRP  77           HB1      TRP  77  -7.634  -7.620   6.469
  467    HD1  TRP  77           HD1      TRP  77  -8.838  -4.389   4.779
  468    HE1  TRP  77           HE1      TRP  77  -7.744  -2.392   5.970
  469    HE3  TRP  77           HE3      TRP  77  -5.621  -6.926   7.832
  470    HZ2  TRP  77           HZ2      TRP  77  -5.782  -1.951   7.939
  471    HZ3  TRP  77           HZ3      TRP  77  -4.167  -5.641   9.338
  472    HH2  TRP  77           HH2      TRP  77  -4.245  -3.200   9.392
  473    H    ALA  78           HN       ALA  78  -6.394  -9.696   5.394
  474    HA   ALA  78           HA       ALA  78  -8.447 -11.234   4.034
  475   1HB   ALA  78           HB2      ALA  78  -6.252 -11.134   2.670
  476   2HB   ALA  78           HB3      ALA  78  -7.061 -12.681   2.893
  477   3HB   ALA  78           HB1      ALA  78  -5.655 -12.273   3.873
  478    H    PHE  79           HN       PHE  79  -8.528 -13.501   4.817
  479    HA   PHE  79           HA       PHE  79  -7.900 -13.570   7.682
  480   1HB   PHE  79           HB2      PHE  79 -10.270 -13.875   7.001
  481   2HB   PHE  79           HB1      PHE  79  -9.803 -15.312   6.099
  482    HD1  PHE  79           HD1      PHE  79 -10.693 -17.147   7.159
  483    HD2  PHE  79           HD2      PHE  79  -8.858 -14.098   9.494
  484    HE1  PHE  79           HE1      PHE  79 -10.999 -18.516   9.181
  485    HE2  PHE  79           HE2      PHE  79  -9.161 -15.461  11.520
  486    HZ   PHE  79           HZ       PHE  79 -10.232 -17.674  11.364
  487    H    GLU  80           HN       GLU  80  -5.978 -14.481   8.047
  488    HA   GLU  80           HA       GLU  80  -5.505 -17.160   6.982
  489   1HB   GLU  80           HB2      GLU  80  -4.180 -16.116   5.421
  490   2HB   GLU  80           HB1      GLU  80  -3.835 -14.749   6.463
  491   1HG   GLU  80           HG2      GLU  80  -1.821 -15.973   6.099
  492   2HG   GLU  80           HG1      GLU  80  -2.313 -16.189   7.778
  493    H    ASN  81           HN       ASN  81  -4.240 -18.473   8.299
  494    HA   ASN  81           HA       ASN  81  -3.328 -19.250  10.231
  495   1HB   ASN  81           HB2      ASN  81  -2.329 -16.540  10.003
  496   2HB   ASN  81           HB1      ASN  81  -2.532 -16.996  11.692
  497   1HD2  ASN  81          1HD2      ASN  81  -1.135 -18.094   8.640
  498   2HD2  ASN  81          2HD2      ASN  81   0.197 -18.934   9.348
  499    H    GLY  82           HN       GLY  82  -6.144 -17.924  10.016
  500   1HA   GLY  82           HA1      GLY  82  -6.930 -18.598  12.683
  501   2HA   GLY  82           HA2      GLY  82  -7.979 -18.001  11.407
  502    H    ASN  83           HN       ASN  83  -6.366 -15.586  10.962
  503    HA   ASN  83           HA       ASN  83  -7.499 -14.017  13.132
  504   1HB   ASN  83           HB2      ASN  83  -4.605 -13.568  12.440
  505   2HB   ASN  83           HB1      ASN  83  -5.510 -12.959  13.823
  506   1HD2  ASN  83          1HD2      ASN  83  -3.643 -15.522  12.545
  507   2HD2  ASN  83          2HD2      ASN  83  -3.642 -16.525  13.952
  508    H    TRP  84           HN       TRP  84  -7.686 -11.773  12.655
  509    HA   TRP  84           HA       TRP  84  -8.085 -11.246   9.860
  510   1HB   TRP  84           HB2      TRP  84  -8.451  -9.601  12.361
  511   2HB   TRP  84           HB1      TRP  84  -8.697  -8.923  10.754
  512    HD1  TRP  84           HD1      TRP  84 -10.694 -10.198  13.412
  513    HE1  TRP  84           HE1      TRP  84 -12.922 -11.189  12.589
  514    HE3  TRP  84           HE3      TRP  84  -9.580 -10.688   8.446
  515    HZ2  TRP  84           HZ2      TRP  84 -14.057 -12.064  10.156
  516    HZ3  TRP  84           HZ3      TRP  84 -11.292 -11.611   6.938
  517    HH2  TRP  84           HH2      TRP  84 -13.484 -12.284   7.778
  518    H    CYS  85           HN       CYS  85  -5.952 -11.462   9.069
  519    HA   CYS  85           HA       CYS  85  -3.986  -9.481   9.911
  520   1HB   CYS  85           HB2      CYS  85  -2.509 -10.735   8.287
  521   2HB   CYS  85           HB1      CYS  85  -3.085 -11.664   9.666
  522    H    GLY  86           HN       GLY  86  -2.653  -8.514   8.006
  523   1HA   GLY  86           HA1      GLY  86  -3.182  -6.553   6.688
  524   2HA   GLY  86           HA2      GLY  86  -4.609  -7.394   6.105
  525    H    ILE  87           HN       ILE  87  -3.736  -6.666   4.014
  526    HA   ILE  87           HA       ILE  87  -2.252  -8.808   2.766
  527    HB   ILE  87           HB       ILE  87  -4.001  -6.627   1.884
  528   1HG1  ILE  87          2HG1      ILE  87  -4.846  -8.227   0.398
  529   2HG1  ILE  87          1HG1      ILE  87  -3.340  -9.127   0.361
  530   1HG2  ILE  87          2HG2      ILE  87  -1.960  -5.816   0.807
  531   2HG2  ILE  87          1HG2      ILE  87  -1.710  -7.405   0.078
  532   3HG2  ILE  87          3HG2      ILE  87  -3.110  -6.435  -0.375
  533   1HD1  ILE  87          1HD1      ILE  87  -4.115  -9.296   2.996
  534   2HD1  ILE  87          3HD1      ILE  87  -5.631  -9.389   2.102
  535   3HD1  ILE  87          2HD1      ILE  87  -4.330 -10.528   1.755
  536    H    LYS  88           HN       LYS  88  -0.172  -8.783   2.153
  537    HA   LYS  88           HA       LYS  88   1.566  -6.738   3.061
  538   1HB   LYS  88           HB2      LYS  88   2.218  -8.770   0.926
  539   2HB   LYS  88           HB1      LYS  88   3.333  -7.967   2.020
  540   1HG   LYS  88           HG2      LYS  88   1.206  -9.633   3.230
  541   2HG   LYS  88           HG1      LYS  88   2.519 -10.456   2.386
  542   1HD   LYS  88           HD2      LYS  88   3.952  -8.718   3.834
  543   2HD   LYS  88           HD1      LYS  88   2.554  -8.892   4.897
  544   1HE   LYS  88           HE2      LYS  88   4.337 -10.486   5.449
  545   2HE   LYS  88           HE1      LYS  88   2.855 -11.296   4.947
  546   1HZ   LYS  88           HZ2      LYS  88   4.442 -10.865   2.677
  547   2HZ   LYS  88           HZ1      LYS  88   5.421 -11.561   3.868
  548   3HZ   LYS  88           HZ3      LYS  88   4.000 -12.338   3.381
  549    H    ASN  89           HN       ASN  89   2.677  -5.152   1.872
  550    HA   ASN  89           HA       ASN  89   1.347  -3.630   0.079
  551   1HB   ASN  89           HB2      ASN  89   3.351  -2.499  -0.360
  552   2HB   ASN  89           HB1      ASN  89   3.638  -3.236   1.208
  553   1HD2  ASN  89          1HD2      ASN  89   4.893  -5.190   1.276
  554   2HD2  ASN  89          2HD2      ASN  89   6.094  -5.475   0.067
  555    H    SER  90           HN       SER  90   3.547  -6.262  -0.778
  556    HA   SER  90           HA       SER  90   3.828  -6.330  -3.374
  557   1HB   SER  90           HB2      SER  90   4.542  -8.298  -2.489
  558   2HB   SER  90           HB1      SER  90   3.129  -8.467  -1.452
  559    HG   SER  90           HG       SER  90   2.702  -9.959  -2.912
  560    H    CYS  91           HN       CYS  91   0.632  -6.606  -1.941
  561    HA   CYS  91           HA       CYS  91  -0.602  -7.330  -4.450
  562   1HB   CYS  91           HB2      CYS  91  -1.433  -8.099  -2.195
  563   2HB   CYS  91           HB1      CYS  91  -1.981  -6.448  -1.929
  564    H    LYS  92           HN       LYS  92   0.777  -4.992  -4.776
  565    HA   LYS  92           HA       LYS  92  -1.261  -2.878  -4.777
  566   1HB   LYS  92           HB2      LYS  92   1.675  -2.637  -5.400
  567   2HB   LYS  92           HB1      LYS  92   0.544  -1.314  -5.232
  568   1HG   LYS  92           HG2      LYS  92   0.900  -1.203  -3.058
  569   2HG   LYS  92           HG1      LYS  92   0.547  -2.915  -2.858
  570   1HD   LYS  92           HD2      LYS  92   3.196  -1.606  -3.444
  571   2HD   LYS  92           HD1      LYS  92   2.764  -2.636  -2.083
  572   1HE   LYS  92           HE2      LYS  92   3.867  -4.184  -3.295
  573   2HE   LYS  92           HE1      LYS  92   2.298  -4.349  -4.073
  574   1HZ   LYS  92           HZ1      LYS  92   3.573  -2.290  -5.395
  575   2HZ   LYS  92           HZ3      LYS  92   4.756  -3.477  -5.190
  576   3HZ   LYS  92           HZ2      LYS  92   3.309  -3.857  -5.972
  577    H    GLN  93           HN       GLN  93   1.173  -4.386  -6.856
  578    HA   GLN  93           HA       GLN  93  -0.564  -3.846  -9.162
  579   1HB   GLN  93           HB2      GLN  93   1.577  -3.467 -10.491
  580   2HB   GLN  93           HB1      GLN  93   1.095  -2.189  -9.386
  581   1HG   GLN  93           HG2      GLN  93   2.766  -3.941  -7.940
  582   2HG   GLN  93           HG1      GLN  93   3.543  -3.638  -9.493
  583   1HE2  GLN  93          1HE2      GLN  93   1.647  -1.724  -7.176
  584   2HE2  GLN  93          2HE2      GLN  93   2.764  -0.408  -7.092
  585    H    GLN  94           HN       GLN  94   2.357  -5.159 -10.187
  586    HA   GLN  94           HA       GLN  94   1.848  -7.896  -9.529
  587   1HB   GLN  94           HB2      GLN  94   1.196  -6.873 -12.289
  588   2HB   GLN  94           HB1      GLN  94   1.561  -8.563 -11.973
  589   1HG   GLN  94           HG2      GLN  94  -0.316  -8.288 -10.163
  590   2HG   GLN  94           HG1      GLN  94  -0.803  -6.946 -11.196
  591   1HE2  GLN  94          1HE2      GLN  94  -0.823 -10.310 -10.744
  592   2HE2  GLN  94          2HE2      GLN  94  -1.597 -10.746 -12.225
  593    HA   PRO  95           HA       PRO  95   5.585  -7.610 -12.789
  594   1HB   PRO  95           HB2      PRO  95   6.347  -4.886 -12.860
  595   2HB   PRO  95           HB1      PRO  95   5.643  -5.826 -14.178
  596   1HG   PRO  95           HG2      PRO  95   4.319  -3.986 -12.242
  597   2HG   PRO  95           HG1      PRO  95   3.943  -4.284 -13.950
  598   1HD   PRO  95           HD2      PRO  95   2.405  -5.290 -12.040
  599   2HD   PRO  95           HD1      PRO  95   2.802  -6.261 -13.473
  600    H    GLN  96           HN       GLN  96   5.048  -5.601  -9.969
  601    HA   GLN  96           HA       GLN  96   6.356  -5.038  -8.187
  602   1HB   GLN  96           HB2      GLN  96   7.398  -6.895  -7.079
  603   2HB   GLN  96           HB1      GLN  96   5.921  -7.470  -7.840
  604   1HG   GLN  96           HG2      GLN  96   7.113  -8.570  -9.550
  605   2HG   GLN  96           HG1      GLN  96   8.617  -7.754  -9.127
  606   1HE2  GLN  96          1HE2      GLN  96   6.227  -9.354  -7.071
  607   2HE2  GLN  96          2HE2      GLN  96   7.314 -10.528  -6.417
  608    H    ASN  97           HN       ASN  97   7.460  -4.362 -10.809
  609    HA   ASN  97           HA       ASN  97   9.337  -3.364 -11.622
  610   1HB   ASN  97           HB2      ASN  97   9.543  -2.651  -9.162
  611   2HB   ASN  97           HB1      ASN  97  10.731  -3.942  -9.013
  612   1HD2  ASN  97          1HD2      ASN  97   9.962  -0.968 -10.718
  613   2HD2  ASN  97          2HD2      ASN  97  11.594  -0.546 -11.097
  614    H    ASN  98           HN       ASN  98  10.658  -5.873  -9.454
  615    HA   ASN  98           HA       ASN  98  12.491  -6.762 -11.479
  616   1HB   ASN  98           HB2      ASN  98  11.906  -7.503  -8.647
  617   2HB   ASN  98           HB1      ASN  98  12.772  -8.663  -9.649
  618   1HD2  ASN  98          1HD2      ASN  98  12.845  -5.127  -9.358
  619   2HD2  ASN  98          2HD2      ASN  98  14.547  -5.015  -9.086
  620    H    ASN  99           HN       ASN  99  12.160  -8.267 -12.974
  621    HA   ASN  99           HA       ASN  99   9.725  -9.894 -12.798
  622   1HB   ASN  99           HB2      ASN  99  11.329  -8.783 -15.040
  623   2HB   ASN  99           HB1      ASN  99  10.546 -10.336 -15.310
  624   1HD2  ASN  99          1HD2      ASN  99  10.059  -7.657 -16.455
  625   2HD2  ASN  99          2HD2      ASN  99   8.385  -7.338 -16.175
  626    H    GLN 100           HN       GLN 100   9.782 -12.133 -13.295
  627    HA   GLN 100           HA       GLN 100  10.587 -14.252 -13.118
  628   1HB   GLN 100           HB2      GLN 100  11.962 -13.314 -15.094
  629   2HB   GLN 100           HB1      GLN 100  13.290 -13.225 -13.945
  630   1HG   GLN 100           HG2      GLN 100  11.757 -15.741 -14.546
  631   2HG   GLN 100           HG1      GLN 100  13.254 -15.279 -15.354
  632   1HE2  GLN 100          1HE2      GLN 100  11.874 -16.807 -12.684
  633   2HE2  GLN 100          2HE2      GLN 100  13.317 -17.070 -11.772

  No H/Q in entry =         633
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1   4.687   4.382  -4.850
    2    H2   ALA   1           HT3      ALA   1   6.283   3.801  -5.076
    3    H3   ALA   1           HT2      ALA   1   5.988   5.098  -3.991
    4    HA   ALA   1           HA       ALA   1   6.870   6.049  -5.871
    5   1HB   ALA   1           HB3      ALA   1   4.973   4.257  -7.366
    6   2HB   ALA   1           HB1      ALA   1   6.735   4.289  -7.442
    7   3HB   ALA   1           HB2      ALA   1   5.799   5.621  -8.119
    8    H    MET   2           HN       MET   2   3.516   5.570  -6.900
    9    HA   MET   2           HA       MET   2   2.454   7.781  -5.483
   10   1HB   MET   2           HB2      MET   2   4.008   8.559  -7.624
   11   2HB   MET   2           HB1      MET   2   2.381   8.580  -8.288
   12   1HG   MET   2           HG2      MET   2   1.836  10.421  -7.176
   13   2HG   MET   2           HG1      MET   2   2.513   9.808  -5.667
   14   1HE   MET   2           HE1      MET   2   4.139  10.583  -4.561
   15   2HE   MET   2           HE3      MET   2   5.564  11.498  -5.051
   16   3HE   MET   2           HE2      MET   2   4.019  12.321  -4.838
   17    H    ALA   3           HN       ALA   3   0.695   6.549  -5.089
   18    HA   ALA   3           HA       ALA   3  -1.270   6.347  -7.188
   19   1HB   ALA   3           HB1      ALA   3  -1.073   3.751  -5.881
   20   2HB   ALA   3           HB2      ALA   3   0.358   4.148  -6.833
   21   3HB   ALA   3           HB3      ALA   3  -1.234   4.147  -7.594
   22    H    CYS   4           HN       CYS   4  -0.920   7.718  -4.671
   23    HA   CYS   4           HA       CYS   4  -2.540   6.469  -2.680
   24   1HB   CYS   4           HB2      CYS   4  -2.382   8.653  -1.531
   25   2HB   CYS   4           HB1      CYS   4  -0.808   8.055  -2.045
   26    H    TRP   5           HN       TRP   5  -4.681   6.411  -2.564
   27    HA   TRP   5           HA       TRP   5  -6.409   7.347  -4.509
   28   1HB   TRP   5           HB2      TRP   5  -8.198   7.070  -2.727
   29   2HB   TRP   5           HB1      TRP   5  -7.183   5.661  -3.019
   30    HD1  TRP   5           HD1      TRP   5  -5.549   4.912  -1.073
   31    HE1  TRP   5           HE1      TRP   5  -5.412   5.505   1.433
   32    HE3  TRP   5           HE3      TRP   5  -8.580   8.980  -1.092
   33    HZ2  TRP   5           HZ2      TRP   5  -6.486   7.474   3.169
   34    HZ3  TRP   5           HZ3      TRP   5  -8.993  10.177   1.017
   35    HH2  TRP   5           HH2      TRP   5  -7.963   9.439   3.104
   36    H    ALA   6           HN       ALA   6  -5.000   9.033  -1.830
   37    HA   ALA   6           HA       ALA   6  -6.812  11.127  -1.487
   38   1HB   ALA   6           HB3      ALA   6  -3.903  11.699  -1.276
   39   2HB   ALA   6           HB1      ALA   6  -4.589  10.461  -0.224
   40   3HB   ALA   6           HB2      ALA   6  -5.222  12.107  -0.178
   41    H    GLN   7           HN       GLN   7  -3.975  10.922  -3.648
   42    HA   GLN   7           HA       GLN   7  -4.187  13.478  -4.754
   43   1HB   GLN   7           HB2      GLN   7  -2.812  12.666  -6.580
   44   2HB   GLN   7           HB1      GLN   7  -2.219  12.035  -5.051
   45   1HG   GLN   7           HG2      GLN   7  -2.609   9.914  -5.632
   46   2HG   GLN   7           HG1      GLN   7  -4.137  10.299  -6.421
   47   1HE2  GLN   7          1HE2      GLN   7  -4.076   9.662  -8.446
   48   2HE2  GLN   7          2HE2      GLN   7  -2.745   9.838  -9.534
   49    H    SER   8           HN       SER   8  -6.142  10.694  -5.240
   50    HA   SER   8           HA       SER   8  -7.148  11.247  -7.809
   51   1HB   SER   8           HB2      SER   8  -8.703   9.982  -5.544
   52   2HB   SER   8           HB1      SER   8  -8.934   9.738  -7.276
   53    HG   SER   8           HG       SER   8  -6.940   8.687  -7.349
   54    H    GLN   9           HN       GLN   9  -7.602  12.787  -4.779
   55    HA   GLN   9           HA       GLN   9  -9.924  14.273  -5.798
   56   1HB   GLN   9           HB2      GLN   9  -8.968  14.251  -2.943
   57   2HB   GLN   9           HB1      GLN   9 -10.538  14.750  -3.558
   58   1HG   GLN   9           HG2      GLN   9 -10.387  12.140  -4.370
   59   2HG   GLN   9           HG1      GLN   9  -9.568  12.108  -2.809
   60   1HE2  GLN   9          1HE2      GLN   9 -10.843  11.691  -1.169
   61   2HE2  GLN   9          2HE2      GLN   9 -12.520  12.085  -1.045
   62    H    GLY  10           HN       GLY  10  -6.653  14.552  -4.586
   63   1HA   GLY  10           HA1      GLY  10  -6.784  17.469  -4.652
   64   2HA   GLY  10           HA2      GLY  10  -5.757  16.697  -5.849
   65    H    TYR  11           HN       TYR  11  -6.031  15.183  -2.753
   66    HA   TYR  11           HA       TYR  11  -3.886  16.569  -1.484
   67   1HB   TYR  11           HB2      TYR  11  -5.277  13.958  -0.915
   68   2HB   TYR  11           HB1      TYR  11  -3.922  14.522   0.057
   69    HD1  TYR  11           HD1      TYR  11  -4.166  16.431   1.546
   70    HD2  TYR  11           HD2      TYR  11  -7.429  15.080  -0.828
   71    HE1  TYR  11           HE1      TYR  11  -5.708  17.774   2.910
   72    HE2  TYR  11           HE2      TYR  11  -8.978  16.422   0.528
   73    HH   TYR  11           HH       TYR  11  -8.740  18.578   2.006
   74    H    ASN  12           HN       ASN  12  -1.738  16.023  -1.260
   75    HA   ASN  12           HA       ASN  12  -0.623  14.428  -3.383
   76   1HB   ASN  12           HB2      ASN  12   0.371  16.588  -2.524
   77   2HB   ASN  12           HB1      ASN  12   0.850  15.706  -1.077
   78   1HD2  ASN  12          1HD2      ASN  12   2.950  16.604  -1.969
   79   2HD2  ASN  12          2HD2      ASN  12   3.837  15.566  -3.027
   80    H    CYS  13           HN       CYS  13   0.933  12.691  -3.026
   81    HA   CYS  13           HA       CYS  13  -0.062  10.769  -1.185
   82   1HB   CYS  13           HB2      CYS  13   2.409  10.738  -2.923
   83   2HB   CYS  13           HB1      CYS  13   1.793   9.352  -2.030
   84    H    CYS  14           HN       CYS  14   0.719  10.046   0.686
   85    HA   CYS  14           HA       CYS  14   2.705  11.703   2.026
   86   1HB   CYS  14           HB2      CYS  14   1.834   9.959   3.950
   87   2HB   CYS  14           HB1      CYS  14   1.127  11.538   3.634
   88    H    ASN  15           HN       ASN  15   4.680  11.002   1.378
   89    HA   ASN  15           HA       ASN  15   5.617   8.528   0.779
   90   1HB   ASN  15           HB2      ASN  15   7.021  10.488   0.609
   91   2HB   ASN  15           HB1      ASN  15   6.999  10.710   2.355
   92   1HD2  ASN  15          1HD2      ASN  15   9.022  10.436   2.954
   93   2HD2  ASN  15          2HD2      ASN  15  10.003   9.059   2.592
   94    H    ASN  16           HN       ASN  16   6.547   6.782   1.914
   95    HA   ASN  16           HA       ASN  16   6.394   5.146   3.500
   96   1HB   ASN  16           HB2      ASN  16   7.474   5.658   5.587
   97   2HB   ASN  16           HB1      ASN  16   8.299   6.542   4.307
   98   1HD2  ASN  16          1HD2      ASN  16   7.905   8.801   4.123
   99   2HD2  ASN  16          2HD2      ASN  16   7.415   9.719   5.499
  100    HA   PRO  17           HA       PRO  17   2.219   6.773   5.051
  101   1HB   PRO  17           HB2      PRO  17   0.713   4.969   3.652
  102   2HB   PRO  17           HB1      PRO  17   1.113   6.584   3.056
  103   1HG   PRO  17           HG2      PRO  17   2.394   3.955   2.419
  104   2HG   PRO  17           HG1      PRO  17   1.991   5.299   1.333
  105   1HD   PRO  17           HD2      PRO  17   4.500   4.883   2.226
  106   2HD   PRO  17           HD1      PRO  17   3.860   6.514   1.936
  107    H    SER  18           HN       SER  18   3.985   3.847   4.876
  108    HA   SER  18           HA       SER  18   2.240   2.212   6.433
  109   1HB   SER  18           HB2      SER  18   3.934   1.259   4.915
  110   2HB   SER  18           HB1      SER  18   5.211   1.933   5.928
  111    HG   SER  18           HG       SER  18   4.595  -0.342   6.298
  112    H    SER  19           HN       SER  19   4.119   4.865   7.247
  113    HA   SER  19           HA       SER  19   3.959   4.152  10.075
  114   1HB   SER  19           HB2      SER  19   6.342   3.876   8.821
  115   2HB   SER  19           HB1      SER  19   6.439   5.571   9.300
  116    HG   SER  19           HG       SER  19   5.907   4.846  11.454
  117    H    THR  20           HN       THR  20   2.819   6.114   7.932
  118    HA   THR  20           HA       THR  20   3.524   8.704   8.849
  119    HB   THR  20           HB       THR  20   1.390   7.556   7.080
  120    HG1  THR  20           HG1      THR  20   2.491   8.729   5.533
  121   1HG2  THR  20          3HG2      THR  20   1.631  10.452   7.816
  122   2HG2  THR  20          2HG2      THR  20   0.628   9.786   6.528
  123   3HG2  THR  20          1HG2      THR  20   0.290   9.380   8.211
  124    H    LYS  21           HN       LYS  21   2.287  10.134  10.113
  125    HA   LYS  21           HA       LYS  21   0.672   8.807  12.136
  126   1HB   LYS  21           HB2      LYS  21   2.417  10.333  12.889
  127   2HB   LYS  21           HB1      LYS  21   1.702  11.643  11.961
  128   1HG   LYS  21           HG2      LYS  21   1.002  12.048  14.139
  129   2HG   LYS  21           HG1      LYS  21  -0.389  11.262  13.388
  130   1HD   LYS  21           HD2      LYS  21  -0.203  10.163  15.428
  131   2HD   LYS  21           HD1      LYS  21   0.634   9.080  14.315
  132   1HE   LYS  21           HE2      LYS  21   2.365   9.165  15.713
  133   2HE   LYS  21           HE1      LYS  21   2.610  10.823  15.167
  134   1HZ   LYS  21           HZ2      LYS  21   0.649  10.385  17.286
  135   2HZ   LYS  21           HZ1      LYS  21   2.280  10.218  17.699
  136   3HZ   LYS  21           HZ3      LYS  21   1.715  11.676  17.050
  137    H    VAL  22           HN       VAL  22  -1.435   8.603  11.760
  138    HA   VAL  22           HA       VAL  22  -2.844  10.498  10.099
  139    HB   VAL  22           HB       VAL  22  -3.734   7.909  11.382
  140   1HG1  VAL  22          1HG1      VAL  22  -5.423   9.884  10.744
  141   2HG1  VAL  22          3HG1      VAL  22  -5.282   9.106   9.170
  142   3HG1  VAL  22          2HG1      VAL  22  -5.826   8.179  10.568
  143   1HG2  VAL  22          2HG2      VAL  22  -2.016   7.874   9.492
  144   2HG2  VAL  22          1HG2      VAL  22  -3.458   6.874   9.307
  145   3HG2  VAL  22          3HG2      VAL  22  -3.336   8.414   8.454
  146    H    GLU  23           HN       GLU  23  -3.124  12.307  11.303
  147    HA   GLU  23           HA       GLU  23  -4.134  12.105  14.021
  148   1HB   GLU  23           HB2      GLU  23  -4.152  14.796  12.938
  149   2HB   GLU  23           HB1      GLU  23  -3.264  14.156  14.313
  150   1HG   GLU  23           HG2      GLU  23  -1.565  13.284  12.693
  151   2HG   GLU  23           HG1      GLU  23  -2.414  14.170  11.427
  152    H    TYR  24           HN       TYR  24  -5.353  12.006  10.951
  153    HA   TYR  24           HA       TYR  24  -8.021  12.772  11.938
  154   1HB   TYR  24           HB2      TYR  24  -6.891  14.595  10.501
  155   2HB   TYR  24           HB1      TYR  24  -7.195  13.513   9.148
  156    HD1  TYR  24           HD1      TYR  24  -8.509  16.145  11.078
  157    HD2  TYR  24           HD2      TYR  24  -9.677  12.659   8.937
  158    HE1  TYR  24           HE1      TYR  24 -10.797  17.028  10.899
  159    HE2  TYR  24           HE2      TYR  24 -11.969  13.533   8.752
  160    HH   TYR  24           HH       TYR  24 -13.431  15.109   9.820
  161    H    THR  25           HN       THR  25  -9.746  11.630  11.099
  162    HA   THR  25           HA       THR  25  -9.384   9.804   8.907
  163    HB   THR  25           HB       THR  25  -9.964   8.650  11.640
  164    HG1  THR  25           HG1      THR  25  -7.638   8.642  10.036
  165   1HG2  THR  25          1HG2      THR  25 -10.792   7.622   9.295
  166   2HG2  THR  25          3HG2      THR  25  -9.178   6.915   9.405
  167   3HG2  THR  25          2HG2      THR  25 -10.347   6.650  10.700
  168    H    ASP  26           HN       ASP  26 -11.158  10.133   7.789
  169    HA   ASP  26           HA       ASP  26 -13.719  10.368   9.229
  170   1HB   ASP  26           HB2      ASP  26 -12.501  12.195   7.452
  171   2HB   ASP  26           HB1      ASP  26 -13.843  11.476   6.569
  172    H    ALA  27           HN       ALA  27 -15.334  10.262   6.898
  173    HA   ALA  27           HA       ALA  27 -15.503   7.442   6.550
  174   1HB   ALA  27           HB1      ALA  27 -17.412   7.896   5.153
  175   2HB   ALA  27           HB2      ALA  27 -16.950   9.592   5.011
  176   3HB   ALA  27           HB3      ALA  27 -17.468   8.947   6.568
  177    H    SER  28           HN       SER  28 -13.486   9.673   5.121
  178    HA   SER  28           HA       SER  28 -13.448   8.429   2.493
  179   1HB   SER  28           HB2      SER  28 -11.487  10.096   2.194
  180   2HB   SER  28           HB1      SER  28 -13.121  10.747   2.331
  181    HG   SER  28           HG       SER  28 -11.732  11.888   3.688
  182    H    GLY  29           HN       GLY  29 -11.732   8.358   5.506
  183   1HA   GLY  29           HA1      GLY  29  -9.534   6.820   4.332
  184   2HA   GLY  29           HA2      GLY  29 -10.557   6.021   5.515
  185    H    GLN  30           HN       GLN  30  -7.645   7.136   5.327
  186    HA   GLN  30           HA       GLN  30  -7.685   8.451   7.966
  187   1HB   GLN  30           HB2      GLN  30  -5.267   6.953   7.106
  188   2HB   GLN  30           HB1      GLN  30  -5.947   7.157   8.712
  189   1HG   GLN  30           HG2      GLN  30  -6.234   4.906   8.255
  190   2HG   GLN  30           HG1      GLN  30  -7.815   5.612   7.924
  191   1HE2  GLN  30          1HE2      GLN  30  -4.862   4.415   6.463
  192   2HE2  GLN  30          2HE2      GLN  30  -5.550   4.043   4.922
  193    H    TRP  31           HN       TRP  31  -6.531  10.308   8.197
  194    HA   TRP  31           HA       TRP  31  -4.795  11.106   5.961
  195   1HB   TRP  31           HB2      TRP  31  -6.599  13.019   7.441
  196   2HB   TRP  31           HB1      TRP  31  -5.650  13.341   5.996
  197    HD1  TRP  31           HD1      TRP  31  -8.752  11.312   7.094
  198    HE1  TRP  31           HE1      TRP  31 -10.291  11.044   5.049
  199    HE3  TRP  31           HE3      TRP  31  -5.755  13.437   3.541
  200    HZ2  TRP  31           HZ2      TRP  31 -10.242  11.656   2.292
  201    HZ3  TRP  31           HZ3      TRP  31  -6.575  13.556   1.225
  202    HH2  TRP  31           HH2      TRP  31  -8.770  12.684   0.614
  203    H    GLY  32           HN       GLY  32  -3.109  12.570   6.477
  204   1HA   GLY  32           HA1      GLY  32  -1.482  12.051   8.532
  205   2HA   GLY  32           HA2      GLY  32  -2.599  13.195   9.265
  206    H    VAL  33           HN       VAL  33   0.198  13.623   8.932
  207    HA   VAL  33           HA       VAL  33   0.460  15.456   6.693
  208    HB   VAL  33           HB       VAL  33   0.728  16.446   9.534
  209   1HG1  VAL  33          1HG1      VAL  33   2.382  17.396   7.950
  210   2HG1  VAL  33          3HG1      VAL  33   1.047  17.955   6.941
  211   3HG1  VAL  33          2HG1      VAL  33   1.249  18.597   8.572
  212   1HG2  VAL  33          1HG2      VAL  33  -1.346  16.933   7.411
  213   2HG2  VAL  33          3HG2      VAL  33  -1.581  16.327   9.051
  214   3HG2  VAL  33          2HG2      VAL  33  -1.120  18.009   8.790
  215    H    GLN  34           HN       GLN  34   2.241  14.491   5.878
  216    HA   GLN  34           HA       GLN  34   4.562  14.247   7.680
  217   1HB   GLN  34           HB2      GLN  34   3.487  12.184   6.333
  218   2HB   GLN  34           HB1      GLN  34   4.584  12.787   5.095
  219   1HG   GLN  34           HG2      GLN  34   6.390  12.040   6.159
  220   2HG   GLN  34           HG1      GLN  34   5.807  12.581   7.732
  221   1HE2  GLN  34          1HE2      GLN  34   5.447  10.055   5.309
  222   2HE2  GLN  34          2HE2      GLN  34   5.026   8.793   6.415
  223    H    ASN  35           HN       ASN  35   6.122  15.646   7.342
  224    HA   ASN  35           HA       ASN  35   7.611  17.006   6.307
  225   1HB   ASN  35           HB2      ASN  35   8.345  16.226   4.341
  226   2HB   ASN  35           HB1      ASN  35   6.961  15.143   4.312
  227   1HD2  ASN  35          1HD2      ASN  35   5.248  15.590   2.966
  228   2HD2  ASN  35          2HD2      ASN  35   5.308  16.808   1.743
  229    H    GLY  36           HN       GLY  36   4.667  17.604   6.879
  230   1HA   GLY  36           HA1      GLY  36   4.794  20.336   5.960
  231   2HA   GLY  36           HA2      GLY  36   3.580  19.646   7.026
  232    H    GLN  37           HN       GLN  37   2.716  17.534   5.350
  233    HA   GLN  37           HA       GLN  37   1.084  19.082   3.507
  234   1HB   GLN  37           HB2      GLN  37   2.636  16.679   2.540
  235   2HB   GLN  37           HB1      GLN  37   1.542  17.675   1.591
  236   1HG   GLN  37           HG2      GLN  37   3.134  19.606   2.166
  237   2HG   GLN  37           HG1      GLN  37   4.271  18.338   2.622
  238   1HE2  GLN  37          1HE2      GLN  37   2.241  19.482  -0.029
  239   2HE2  GLN  37          2HE2      GLN  37   3.255  18.896  -1.298
  240    H    TRP  38           HN       TRP  38  -0.957  18.368   3.439
  241    HA   TRP  38           HA       TRP  38  -1.745  16.184   5.112
  242   1HB   TRP  38           HB2      TRP  38  -3.237  18.072   3.299
  243   2HB   TRP  38           HB1      TRP  38  -4.049  16.725   4.091
  244    HD1  TRP  38           HD1      TRP  38  -3.049  20.248   4.648
  245    HE1  TRP  38           HE1      TRP  38  -3.473  20.924   7.097
  246    HE3  TRP  38           HE3      TRP  38  -3.884  15.615   6.633
  247    HZ2  TRP  38           HZ2      TRP  38  -4.082  19.656   9.546
  248    HZ3  TRP  38           HZ3      TRP  38  -4.380  15.430   9.035
  249    HH2  TRP  38           HH2      TRP  38  -4.476  17.410  10.461
  250    H    CYS  39           HN       CYS  39  -2.588  14.193   4.525
  251    HA   CYS  39           HA       CYS  39  -2.980  13.469   1.768
  252   1HB   CYS  39           HB2      CYS  39  -0.630  13.313   1.664
  253   2HB   CYS  39           HB1      CYS  39  -0.539  12.526   3.236
  254    H    GLY  40           HN       GLY  40  -3.824  11.386   1.468
  255   1HA   GLY  40           HA1      GLY  40  -5.457   9.843   2.173
  256   2HA   GLY  40           HA2      GLY  40  -5.095  10.265   3.846
  257    H    ILE  41           HN       ILE  41  -3.962   8.773   4.955
  258    HA   ILE  41           HA       ILE  41  -1.632   7.574   4.059
  259    HB   ILE  41           HB       ILE  41  -3.475   6.993   6.331
  260   1HG1  ILE  41          2HG1      ILE  41  -1.458   7.536   7.621
  261   2HG1  ILE  41          1HG1      ILE  41  -0.532   7.656   6.129
  262   1HG2  ILE  41          2HG2      ILE  41  -1.172   5.244   5.492
  263   2HG2  ILE  41          1HG2      ILE  41  -1.898   5.222   7.099
  264   3HG2  ILE  41          3HG2      ILE  41  -2.859   4.768   5.691
  265   1HD1  ILE  41          1HD1      ILE  41  -2.940   9.362   6.493
  266   2HD1  ILE  41          3HD1      ILE  41  -1.432   9.791   7.295
  267   3HD1  ILE  41          2HD1      ILE  41  -1.485   9.649   5.537
  268    H    ASP  42           HN       ASP  42  -1.184   6.028   2.723
  269    HA   ASP  42           HA       ASP  42  -3.080   3.840   2.296
  270   1HB   ASP  42           HB2      ASP  42  -2.919   5.821   0.441
  271   2HB   ASP  42           HB1      ASP  42  -1.648   4.738  -0.129
  272    H    TYR  43           HN       TYR  43  -2.000   2.084   2.881
  273    HA   TYR  43           HA       TYR  43   0.874   1.989   2.798
  274   1HB   TYR  43           HB2      TYR  43  -0.919  -0.370   3.329
  275   2HB   TYR  43           HB1      TYR  43   0.713  -0.078   3.922
  276    HD1  TYR  43           HD1      TYR  43   0.374   2.757   4.857
  277    HD2  TYR  43           HD2      TYR  43  -2.107  -0.667   5.338
  278    HE1  TYR  43           HE1      TYR  43  -0.549   3.724   6.923
  279    HE2  TYR  43           HE2      TYR  43  -3.035   0.290   7.405
  280    HH   TYR  43           HH       TYR  43  -2.310   1.954   9.152
  281    H    SER  44           HN       SER  44  -1.265   1.791   0.383
  282    HA   SER  44           HA       SER  44   0.502   0.116  -1.210
  283   1HB   SER  44           HB2      SER  44  -2.393  -0.393  -0.703
  284   2HB   SER  44           HB1      SER  44  -1.763  -0.712  -2.320
  285    HG   SER  44           HG       SER  44  -1.465  -2.151  -0.052
  286    H    TYR  45           HN       TYR  45   0.605   2.795  -1.306
  287    HA   TYR  45           HA       TYR  45  -1.163   3.779  -3.369
  288   1HB   TYR  45           HB2      TYR  45  -0.451   5.888  -2.823
  289   2HB   TYR  45           HB1      TYR  45  -0.085   5.064  -1.315
  290    HD1  TYR  45           HD1      TYR  45   1.148   7.652  -2.626
  291    HD2  TYR  45           HD2      TYR  45   2.381   3.594  -2.358
  292    HE1  TYR  45           HE1      TYR  45   3.494   8.362  -2.813
  293    HE2  TYR  45           HE2      TYR  45   4.721   4.280  -2.557
  294    HH   TYR  45           HH       TYR  45   5.679   7.305  -3.581
  295    H    GLY  46           HN       GLY  46   0.599   1.562  -4.072
  296   1HA   GLY  46           HA1      GLY  46   1.673   2.708  -6.501
  297   2HA   GLY  46           HA2      GLY  46   1.552   0.999  -6.117
  298    H    GLN  47           HN       GLN  47   3.097   0.170  -4.481
  299    HA   GLN  47           HA       GLN  47   5.661   1.611  -4.671
  300   1HB   GLN  47           HB2      GLN  47   4.691  -0.215  -2.463
  301   2HB   GLN  47           HB1      GLN  47   6.290   0.511  -2.544
  302   1HG   GLN  47           HG2      GLN  47   5.563   2.520  -1.851
  303   2HG   GLN  47           HG1      GLN  47   4.038   2.391  -2.729
  304   1HE2  GLN  47          1HE2      GLN  47   4.438   3.325  -0.047
  305   2HE2  GLN  47          2HE2      GLN  47   3.542   2.278   0.993
  306    H    ASN  48           HN       ASN  48   7.583   0.170  -4.558
  307    HA   ASN  48           HA       ASN  48   7.103  -2.241  -6.161
  308   1HB   ASN  48           HB2      ASN  48   9.656  -0.656  -5.800
  309   2HB   ASN  48           HB1      ASN  48   9.436  -2.028  -6.881
  310   1HD2  ASN  48          1HD2      ASN  48   7.017  -1.503  -8.006
  311   2HD2  ASN  48          2HD2      ASN  48   7.101  -0.051  -8.937
  312    H    GLN  49           HN       GLN  49   9.059  -3.878  -5.820
  313    HA   GLN  49           HA       GLN  49   8.931  -4.589  -3.009
  314   1HB   GLN  49           HB2      GLN  49   8.985  -6.726  -3.692
  315   2HB   GLN  49           HB1      GLN  49   8.772  -6.098  -5.321
  316   1HG   GLN  49           HG2      GLN  49  11.381  -5.966  -5.295
  317   2HG   GLN  49           HG1      GLN  49  11.227  -7.134  -3.982
  318   1HE2  GLN  49          1HE2      GLN  49  10.905  -9.207  -4.467
  319   2HE2  GLN  49          2HE2      GLN  49  10.610  -9.824  -6.054
  320    H    GLY  50           HN       GLY  50  10.621  -2.353  -3.965
  321   1HA   GLY  50           HA1      GLY  50  12.920  -1.775  -4.069
  322   2HA   GLY  50           HA2      GLY  50  13.321  -3.368  -3.445
  323    H    ASN  51           HN       ASN  51  11.259  -3.144  -1.324
  324    HA   ASN  51           HA       ASN  51  11.277  -2.662   0.904
  325   1HB   ASN  51           HB2      ASN  51  13.914  -2.714   0.340
  326   2HB   ASN  51           HB1      ASN  51  13.750  -1.028   0.823
  327   1HD2  ASN  51          1HD2      ASN  51  12.357  -4.101   1.932
  328   2HD2  ASN  51          2HD2      ASN  51  12.769  -3.881   3.595
  329    H    GLU  52           HN       GLU  52   9.631  -1.170  -0.456
  330    HA   GLU  52           HA       GLU  52  10.187   1.653  -0.020
  331   1HB   GLU  52           HB2      GLU  52   7.984   0.142  -1.395
  332   2HB   GLU  52           HB1      GLU  52   7.812   1.852  -1.022
  333   1HG   GLU  52           HG2      GLU  52  10.336   1.296  -2.311
  334   2HG   GLU  52           HG1      GLU  52   8.971   0.743  -3.280
  335    H    SER  53           HN       SER  53   8.374  -0.945   1.387
  336    HA   SER  53           HA       SER  53   7.800   0.629   3.720
  337   1HB   SER  53           HB2      SER  53   5.420   0.547   3.663
  338   2HB   SER  53           HB1      SER  53   5.920   1.164   2.088
  339    HG   SER  53           HG       SER  53   4.421  -0.415   1.711
  340    H    CYS  54           HN       CYS  54   5.864  -0.983   4.889
  341    HA   CYS  54           HA       CYS  54   7.038  -3.673   4.814
  342   1HB   CYS  54           HB2      CYS  54   7.248  -3.804   7.164
  343   2HB   CYS  54           HB1      CYS  54   7.904  -2.227   6.742
  344    H    THR  55           HN       THR  55   5.655  -5.356   5.741
  345    HA   THR  55           HA       THR  55   2.851  -4.805   5.136
  346    HB   THR  55           HB       THR  55   4.318  -7.392   5.701
  347    HG1  THR  55           HG1      THR  55   3.072  -6.480   3.328
  348   1HG2  THR  55          2HG2      THR  55   1.420  -7.016   4.969
  349   2HG2  THR  55          1HG2      THR  55   2.285  -8.557   4.962
  350   3HG2  THR  55          3HG2      THR  55   2.049  -7.682   6.476
  351    H    GLY  56           HN       GLY  56   1.174  -5.683   6.602
  352   1HA   GLY  56           HA1      GLY  56   1.864  -6.159   9.343
  353   2HA   GLY  56           HA2      GLY  56   0.242  -5.998   8.687
  354    H    ASN  57           HN       ASN  57   1.380  -3.346   7.487
  355    HA   ASN  57           HA       ASN  57   1.661  -1.709   9.838
  356   1HB   ASN  57           HB2      ASN  57   1.453   0.177   8.064
  357   2HB   ASN  57           HB1      ASN  57   2.887  -0.839   8.072
  358   1HD2  ASN  57          1HD2      ASN  57  -0.225  -1.923   6.861
  359   2HD2  ASN  57          2HD2      ASN  57   0.241  -1.992   5.204
  360    H    GLY  58           HN       GLY  58  -0.958  -3.210   8.676
  361   1HA   GLY  58           HA1      GLY  58  -3.213  -2.561   8.392
  362   2HA   GLY  58           HA2      GLY  58  -2.794  -0.949   8.950
  363    H    SER  59           HN       SER  59  -1.281  -2.915  11.068
  364    HA   SER  59           HA       SER  59  -3.257  -2.456  13.093
  365   1HB   SER  59           HB2      SER  59  -4.191  -4.499  12.206
  366   2HB   SER  59           HB1      SER  59  -2.614  -5.288  12.251
  367    HG   SER  59           HG       SER  59  -2.807  -5.588  14.345
  368    H    TYR  60           HN       TYR  60  -0.487  -4.630  12.497
  369    HA   TYR  60           HA       TYR  60   0.674  -3.723  15.039
  370   1HB   TYR  60           HB2      TYR  60   2.073  -5.931  13.764
  371   2HB   TYR  60           HB1      TYR  60   1.370  -5.832  15.374
  372    HD1  TYR  60           HD1      TYR  60   0.742  -6.744  11.871
  373    HD2  TYR  60           HD2      TYR  60  -0.804  -6.749  15.833
  374    HE1  TYR  60           HE1      TYR  60  -1.020  -8.310  11.174
  375    HE2  TYR  60           HE2      TYR  60  -2.573  -8.314  15.147
  376    HH   TYR  60           HH       TYR  60  -2.498 -10.034  12.283
  377    HA   PRO  61           HA       PRO  61   4.204  -1.996  12.958
  378   1HB   PRO  61           HB2      PRO  61   6.317  -2.667  14.406
  379   2HB   PRO  61           HB1      PRO  61   4.974  -1.795  15.158
  380   1HG   PRO  61           HG2      PRO  61   5.629  -4.719  15.264
  381   2HG   PRO  61           HG1      PRO  61   5.100  -3.643  16.572
  382   1HD   PRO  61           HD2      PRO  61   3.444  -5.341  15.139
  383   2HD   PRO  61           HD1      PRO  61   2.897  -3.921  16.051
  384    H    CYS  62           HN       CYS  62   6.454  -2.383  12.012
  385    HA   CYS  62           HA       CYS  62   6.355  -4.678  10.288
  386   1HB   CYS  62           HB2      CYS  62   8.781  -2.931  10.484
  387   2HB   CYS  62           HB1      CYS  62   8.060  -3.679   9.067
  388    H    CYS  63           HN       CYS  63   8.507  -5.963  10.005
  389    HA   CYS  63           HA       CYS  63   9.334  -6.800  12.701
  390   1HB   CYS  63           HB2      CYS  63   8.408  -8.269  10.465
  391   2HB   CYS  63           HB1      CYS  63  10.103  -8.687  10.681
  392    H    ASN  64           HN       ASN  64  10.500  -5.878   9.556
  393    HA   ASN  64           HA       ASN  64  12.484  -4.699   9.158
  394   1HB   ASN  64           HB2      ASN  64  13.063  -4.528  11.551
  395   2HB   ASN  64           HB1      ASN  64  13.628  -6.195  11.528
  396   1HD2  ASN  64          1HD2      ASN  64  15.587  -6.674  10.727
  397   2HD2  ASN  64          2HD2      ASN  64  16.728  -5.492  10.191
  398    H    THR  65           HN       THR  65  11.757  -7.968   9.393
  399    HA   THR  65           HA       THR  65  14.003  -8.693   7.644
  400    HB   THR  65           HB       THR  65  13.590  -9.862   9.921
  401    HG1  THR  65           HG1      THR  65  13.992 -11.202   7.469
  402   1HG2  THR  65          2HG2      THR  65  11.175 -10.290   9.565
  403   2HG2  THR  65          1HG2      THR  65  11.606 -11.415   8.279
  404   3HG2  THR  65          3HG2      THR  65  12.112 -11.736   9.937
  405    H    CYS  66           HN       CYS  66  13.587  -9.512   5.642
  406    HA   CYS  66           HA       CYS  66  10.844  -9.332   4.702
  407   1HB   CYS  66           HB2      CYS  66  11.710  -9.049   2.602
  408   2HB   CYS  66           HB1      CYS  66  13.131  -8.579   3.522
  409    H    GLN  67           HN       GLN  67  12.359 -11.564   6.354
  410    HA   GLN  67           HA       GLN  67  11.667 -13.912   4.788
  411   1HB   GLN  67           HB2      GLN  67  13.682 -14.306   5.863
  412   2HB   GLN  67           HB1      GLN  67  13.232 -13.364   7.273
  413   1HG   GLN  67           HG2      GLN  67  11.562 -15.702   7.033
  414   2HG   GLN  67           HG1      GLN  67  13.269 -16.135   7.024
  415   1HE2  GLN  67          1HE2      GLN  67  11.860 -13.359   8.666
  416   2HE2  GLN  67          2HE2      GLN  67  12.215 -13.896  10.268
  417    H    ALA  68           HN       ALA  68   9.487 -14.157   4.768
  418    HA   ALA  68           HA       ALA  68   7.968 -13.728   7.194
  419   1HB   ALA  68           HB3      ALA  68   7.382 -13.800   4.373
  420   2HB   ALA  68           HB2      ALA  68   6.234 -14.767   5.303
  421   3HB   ALA  68           HB1      ALA  68   6.484 -13.065   5.702
  422    H    THR  69           HN       THR  69   7.257 -15.198   8.501
  423    HA   THR  69           HA       THR  69   7.913 -17.999   7.982
  424    HB   THR  69           HB       THR  69   8.628 -17.834  10.106
  425    HG1  THR  69           HG1      THR  69   6.725 -18.934  10.570
  426   1HG2  THR  69          1HG2      THR  69   8.537 -15.361   9.962
  427   2HG2  THR  69          3HG2      THR  69   6.891 -15.431  10.604
  428   3HG2  THR  69          2HG2      THR  69   8.246 -15.997  11.585
  429    H    TYR  70           HN       TYR  70   5.274 -15.852   8.012
  430    HA   TYR  70           HA       TYR  70   3.447 -18.002   7.411
  431   1HB   TYR  70           HB2      TYR  70   2.088 -17.890   9.237
  432   2HB   TYR  70           HB1      TYR  70   3.566 -17.350  10.022
  433    HD1  TYR  70           HD1      TYR  70   0.687 -15.880   8.123
  434    HD2  TYR  70           HD2      TYR  70   3.428 -15.479  11.353
  435    HE1  TYR  70           HE1      TYR  70  -0.446 -13.819   8.820
  436    HE2  TYR  70           HE2      TYR  70   2.302 -13.408  12.056
  437    HH   TYR  70           HH       TYR  70  -0.543 -12.549  11.403
  438    H    THR  71           HN       THR  71   1.918 -17.357   5.965
  439    HA   THR  71           HA       THR  71   1.799 -14.471   5.381
  440    HB   THR  71           HB       THR  71   1.514 -16.819   3.504
  441    HG1  THR  71           HG1      THR  71   3.363 -15.931   2.570
  442   1HG2  THR  71          3HG2      THR  71  -0.027 -14.882   2.985
  443   2HG2  THR  71          2HG2      THR  71   1.432 -13.928   2.711
  444   3HG2  THR  71          1HG2      THR  71   1.109 -15.350   1.718
  445    H    ASP  72           HN       ASP  72  -0.150 -13.497   5.151
  446    HA   ASP  72           HA       ASP  72  -2.514 -15.169   5.668
  447   1HB   ASP  72           HB2      ASP  72  -1.522 -13.173   7.297
  448   2HB   ASP  72           HB1      ASP  72  -2.784 -12.344   6.391
  449    H    GLY  73           HN       GLY  73  -4.467 -13.259   5.278
  450   1HA   GLY  73           HA1      GLY  73  -5.812 -12.624   3.516
  451   2HA   GLY  73           HA2      GLY  73  -4.583 -13.219   2.415
  452    H    ASP  74           HN       ASP  74  -2.790 -11.251   4.239
  453    HA   ASP  74           HA       ASP  74  -3.377  -8.939   2.509
  454   1HB   ASP  74           HB2      ASP  74  -2.327  -8.664   5.320
  455   2HB   ASP  74           HB1      ASP  74  -2.977  -7.407   4.274
  456    H    GLY  75           HN       GLY  75  -1.277 -11.318   2.940
  457   1HA   GLY  75           HA1      GLY  75   1.103  -9.617   2.569
  458   2HA   GLY  75           HA2      GLY  75   0.748 -10.945   1.472
  459    H    ASP  76           HN       ASP  76   3.153 -10.854   2.780
  460    HA   ASP  76           HA       ASP  76   2.988 -13.295   4.338
  461   1HB   ASP  76           HB2      ASP  76   5.603 -11.935   3.926
  462   2HB   ASP  76           HB1      ASP  76   5.188 -13.641   3.820
  463    H    TRP  77           HN       TRP  77   4.228 -13.504   6.367
  464    HA   TRP  77           HA       TRP  77   4.486 -11.034   7.900
  465   1HB   TRP  77           HB2      TRP  77   2.852 -13.379   8.867
  466   2HB   TRP  77           HB1      TRP  77   3.131 -11.870   9.728
  467    HD1  TRP  77           HD1      TRP  77   1.231 -13.215   6.641
  468    HE1  TRP  77           HE1      TRP  77  -0.701 -11.608   6.128
  469    HE3  TRP  77           HE3      TRP  77   2.295  -9.555  10.049
  470    HZ2  TRP  77           HZ2      TRP  77  -1.653  -9.129   7.039
  471    HZ3  TRP  77           HZ3      TRP  77   0.813  -7.597  10.158
  472    HH2  TRP  77           HH2      TRP  77  -1.121  -7.389   8.685
  473    H    ALA  78           HN       ALA  78   5.650 -11.207   9.853
  474    HA   ALA  78           HA       ALA  78   7.227 -13.651  10.153
  475   1HB   ALA  78           HB1      ALA  78   9.149 -11.923  10.715
  476   2HB   ALA  78           HB2      ALA  78   8.228 -10.914   9.600
  477   3HB   ALA  78           HB3      ALA  78   8.847 -12.478   9.069
  478    H    PHE  79           HN       PHE  79   8.532 -13.558  12.260
  479    HA   PHE  79           HA       PHE  79   7.053 -12.093  14.335
  480   1HB   PHE  79           HB2      PHE  79   6.219 -14.411  14.263
  481   2HB   PHE  79           HB1      PHE  79   7.861 -15.006  14.489
  482    HD1  PHE  79           HD1      PHE  79   8.607 -15.466  16.620
  483    HD2  PHE  79           HD2      PHE  79   5.340 -12.789  16.103
  484    HE1  PHE  79           HE1      PHE  79   8.309 -15.367  19.060
  485    HE2  PHE  79           HE2      PHE  79   5.036 -12.684  18.543
  486    HZ   PHE  79           HZ       PHE  79   6.522 -13.974  20.024
  487    H    GLU  80           HN       GLU  80   8.523 -10.708  15.088
  488    HA   GLU  80           HA       GLU  80  11.014 -11.804  16.143
  489   1HB   GLU  80           HB2      GLU  80  12.443 -10.373  15.029
  490   2HB   GLU  80           HB1      GLU  80  11.267 -10.740  13.779
  491   1HG   GLU  80           HG2      GLU  80  11.396  -8.493  13.518
  492   2HG   GLU  80           HG1      GLU  80  10.111  -8.563  14.724
  493    H    ASN  81           HN       ASN  81  12.024 -10.446  17.751
  494    HA   ASN  81           HA       ASN  81  11.950  -9.199  19.651
  495   1HB   ASN  81           HB2      ASN  81  10.704  -7.526  17.578
  496   2HB   ASN  81           HB1      ASN  81  10.274  -7.075  19.225
  497   1HD2  ASN  81          1HD2      ASN  81  13.295  -8.460  18.052
  498   2HD2  ASN  81          2HD2      ASN  81  14.288  -7.114  18.485
  499    H    GLY  82           HN       GLY  82   9.796 -11.248  18.998
  500   1HA   GLY  82           HA1      GLY  82   8.313 -10.943  21.401
  501   2HA   GLY  82           HA2      GLY  82   8.055 -12.173  20.174
  502    H    ASN  83           HN       ASN  83   7.560 -10.348  18.000
  503    HA   ASN  83           HA       ASN  83   4.812  -9.649  18.700
  504   1HB   ASN  83           HB2      ASN  83   5.233  -7.445  17.329
  505   2HB   ASN  83           HB1      ASN  83   5.611  -7.511  19.047
  506   1HD2  ASN  83          1HD2      ASN  83   6.805  -6.998  15.918
  507   2HD2  ASN  83          2HD2      ASN  83   8.472  -6.804  16.326
  508    H    TRP  84           HN       TRP  84   3.376  -9.792  17.027
  509    HA   TRP  84           HA       TRP  84   4.255 -11.235  14.696
  510   1HB   TRP  84           HB2      TRP  84   1.539 -10.227  15.563
  511   2HB   TRP  84           HB1      TRP  84   1.810 -11.153  14.091
  512    HD1  TRP  84           HD1      TRP  84   0.777 -11.654  17.532
  513    HE1  TRP  84           HE1      TRP  84   1.046 -14.111  18.252
  514    HE3  TRP  84           HE3      TRP  84   3.765 -13.296  13.723
  515    HZ2  TRP  84           HZ2      TRP  84   2.352 -16.437  17.328
  516    HZ3  TRP  84           HZ3      TRP  84   4.480 -15.650  13.715
  517    HH2  TRP  84           HH2      TRP  84   3.789 -17.187  15.482
  518    H    CYS  85           HN       CYS  85   5.609  -9.697  13.709
  519    HA   CYS  85           HA       CYS  85   4.352  -7.288  12.643
  520   1HB   CYS  85           HB2      CYS  85   6.970  -7.368  11.685
  521   2HB   CYS  85           HB1      CYS  85   6.379  -6.424  13.043
  522    H    GLY  86           HN       GLY  86   4.577  -6.749  10.366
  523   1HA   GLY  86           HA1      GLY  86   3.784  -7.456   8.264
  524   2HA   GLY  86           HA2      GLY  86   4.123  -9.118   8.718
  525    H    ILE  87           HN       ILE  87   5.049  -9.166   6.485
  526    HA   ILE  87           HA       ILE  87   7.893  -8.784   6.659
  527    HB   ILE  87           HB       ILE  87   6.136 -10.410   5.061
  528   1HG1  ILE  87          2HG1      ILE  87   8.043 -11.837   4.936
  529   2HG1  ILE  87          1HG1      ILE  87   9.144 -10.499   5.241
  530   1HG2  ILE  87          2HG2      ILE  87   6.583  -8.801   3.267
  531   2HG2  ILE  87          1HG2      ILE  87   8.318  -9.025   3.512
  532   3HG2  ILE  87          3HG2      ILE  87   7.326 -10.368   2.945
  533   1HD1  ILE  87          2HD1      ILE  87   7.147 -11.544   7.229
  534   2HD1  ILE  87          1HD1      ILE  87   8.845 -12.010   7.160
  535   3HD1  ILE  87          3HD1      ILE  87   8.407 -10.341   7.511
  536    H    LYS  88           HN       LYS  88   9.189  -7.574   5.293
  537    HA   LYS  88           HA       LYS  88   8.321  -4.980   4.775
  538   1HB   LYS  88           HB2      LYS  88  10.688  -6.299   3.473
  539   2HB   LYS  88           HB1      LYS  88  10.468  -4.590   3.827
  540   1HG   LYS  88           HG2      LYS  88  10.813  -6.804   5.831
  541   2HG   LYS  88           HG1      LYS  88  11.999  -5.569   5.409
  542   1HD   LYS  88           HD2      LYS  88  11.152  -4.541   7.237
  543   2HD   LYS  88           HD1      LYS  88   9.924  -4.001   6.091
  544   1HE   LYS  88           HE2      LYS  88   9.116  -4.992   8.301
  545   2HE   LYS  88           HE1      LYS  88   8.377  -5.602   6.823
  546   1HZ   LYS  88           HZ1      LYS  88  10.721  -7.024   7.809
  547   2HZ   LYS  88           HZ3      LYS  88   9.304  -7.187   8.716
  548   3HZ   LYS  88           HZ2      LYS  88   9.320  -7.627   7.086
  549    H    ASN  89           HN       ASN  89   8.454  -3.864   2.669
  550    HA   ASN  89           HA       ASN  89   6.603  -4.982   0.851
  551   1HB   ASN  89           HB2      ASN  89   7.178  -2.489   1.391
  552   2HB   ASN  89           HB1      ASN  89   8.380  -2.684   0.119
  553   1HD2  ASN  89          1HD2      ASN  89   5.765  -1.175   0.431
  554   2HD2  ASN  89          2HD2      ASN  89   4.898  -1.550  -1.014
  555    H    SER  90           HN       SER  90   9.925  -5.412   1.208
  556    HA   SER  90           HA       SER  90  10.654  -5.727  -1.522
  557   1HB   SER  90           HB2      SER  90  12.475  -5.238  -0.175
  558   2HB   SER  90           HB1      SER  90  11.924  -6.296   1.125
  559    HG   SER  90           HG       SER  90  12.673  -8.040   0.034
  560    H    CYS  91           HN       CYS  91  10.504  -8.176   1.057
  561    HA   CYS  91           HA       CYS  91  10.207 -10.247  -0.959
  562   1HB   CYS  91           HB2      CYS  91  10.626 -10.370   2.023
  563   2HB   CYS  91           HB1      CYS  91  10.338 -11.798   1.040
  564    H    LYS  92           HN       LYS  92   8.046  -8.744  -1.072
  565    HA   LYS  92           HA       LYS  92   5.955 -10.250   0.347
  566   1HB   LYS  92           HB2      LYS  92   4.478  -8.290  -0.258
  567   2HB   LYS  92           HB1      LYS  92   5.744  -7.955   0.913
  568   1HG   LYS  92           HG2      LYS  92   6.030  -6.149  -0.406
  569   2HG   LYS  92           HG1      LYS  92   7.055  -7.269  -1.294
  570   1HD   LYS  92           HD2      LYS  92   5.705  -6.202  -2.905
  571   2HD   LYS  92           HD1      LYS  92   5.021  -7.816  -2.689
  572   1HE   LYS  92           HE2      LYS  92   3.197  -6.308  -2.729
  573   2HE   LYS  92           HE1      LYS  92   3.412  -6.801  -1.049
  574   1HZ   LYS  92           HZ2      LYS  92   4.715  -4.352  -2.030
  575   2HZ   LYS  92           HZ1      LYS  92   3.074  -4.317  -1.620
  576   3HZ   LYS  92           HZ3      LYS  92   4.228  -4.749  -0.460
  577    H    GLN  93           HN       GLN  93   7.100  -9.088  -2.746
  578    HA   GLN  93           HA       GLN  93   5.544 -11.130  -4.096
  579   1HB   GLN  93           HB2      GLN  93   5.167  -8.183  -4.627
  580   2HB   GLN  93           HB1      GLN  93   4.738  -9.418  -5.800
  581   1HG   GLN  93           HG2      GLN  93   3.631  -9.326  -3.007
  582   2HG   GLN  93           HG1      GLN  93   2.854  -8.569  -4.397
  583   1HE2  GLN  93          1HE2      GLN  93   3.917 -11.629  -3.045
  584   2HE2  GLN  93          2HE2      GLN  93   2.815 -12.620  -3.934
  585    H    GLN  94           HN       GLN  94   5.983 -10.692  -6.639
  586    HA   GLN  94           HA       GLN  94   8.883 -10.331  -6.865
  587   1HB   GLN  94           HB2      GLN  94   7.050 -12.356  -8.002
  588   2HB   GLN  94           HB1      GLN  94   8.354 -11.799  -9.044
  589   1HG   GLN  94           HG2      GLN  94   8.595 -13.085  -6.344
  590   2HG   GLN  94           HG1      GLN  94   9.040 -13.773  -7.904
  591   1HE2  GLN  94          1HE2      GLN  94  10.937 -13.140  -8.888
  592   2HE2  GLN  94          2HE2      GLN  94  12.156 -12.227  -8.073
  593    HA   PRO  95           HA       PRO  95   7.324  -8.431 -10.973
  594   1HB   PRO  95           HB2      PRO  95   4.694  -8.643 -11.589
  595   2HB   PRO  95           HB1      PRO  95   5.870  -9.899 -12.002
  596   1HG   PRO  95           HG2      PRO  95   4.024  -9.761  -9.635
  597   2HG   PRO  95           HG1      PRO  95   4.302 -11.117 -10.742
  598   1HD   PRO  95           HD2      PRO  95   5.474 -11.006  -8.368
  599   2HD   PRO  95           HD1      PRO  95   6.335 -11.627  -9.790
  600    H    GLN  96           HN       GLN  96   7.440  -7.128  -8.549
  601    HA   GLN  96           HA       GLN  96   5.302  -5.685  -7.635
  602   1HB   GLN  96           HB2      GLN  96   7.017  -3.876  -7.122
  603   2HB   GLN  96           HB1      GLN  96   7.338  -5.476  -6.471
  604   1HG   GLN  96           HG2      GLN  96   9.394  -5.068  -7.299
  605   2HG   GLN  96           HG1      GLN  96   8.667  -5.685  -8.780
  606   1HE2  GLN  96          1HE2      GLN  96  10.874  -3.772  -8.314
  607   2HE2  GLN  96          2HE2      GLN  96  10.440  -2.352  -9.197
  608    H    ASN  97           HN       ASN  97   7.018  -5.278 -10.634
  609    HA   ASN  97           HA       ASN  97   6.423  -2.674 -11.322
  610   1HB   ASN  97           HB2      ASN  97   7.821  -4.336 -12.623
  611   2HB   ASN  97           HB1      ASN  97   6.315  -4.987 -13.260
  612   1HD2  ASN  97          1HD2      ASN  97   7.592  -4.314 -15.246
  613   2HD2  ASN  97          2HD2      ASN  97   7.280  -2.726 -15.850
  614    H    ASN  98           HN       ASN  98   4.301  -5.423 -11.156
  615    HA   ASN  98           HA       ASN  98   2.029  -3.681 -11.661
  616   1HB   ASN  98           HB2      ASN  98   2.887  -5.867 -13.473
  617   2HB   ASN  98           HB1      ASN  98   1.165  -5.782 -13.112
  618   1HD2  ASN  98          1HD2      ASN  98   0.467  -3.295 -13.089
  619   2HD2  ASN  98          2HD2      ASN  98   0.871  -2.467 -14.550
  620    H    ASN  99           HN       ASN  99   0.139  -4.352 -10.673
  621    HA   ASN  99           HA       ASN  99   0.436  -6.651  -8.861
  622   1HB   ASN  99           HB2      ASN  99  -0.908  -4.001  -8.597
  623   2HB   ASN  99           HB1      ASN  99  -1.606  -5.373  -7.742
  624   1HD2  ASN  99          1HD2      ASN  99  -0.884  -3.576  -6.092
  625   2HD2  ASN  99          2HD2      ASN  99   0.642  -3.884  -5.344
  626    H    GLN 100           HN       GLN 100  -0.275  -8.196 -10.369
  627    HA   GLN 100           HA       GLN 100  -1.744  -9.383 -11.659
  628   1HB   GLN 100           HB2      GLN 100  -3.975  -9.722 -10.489
  629   2HB   GLN 100           HB1      GLN 100  -2.536 -10.121  -9.564
  630   1HG   GLN 100           HG2      GLN 100  -2.698  -8.046  -8.342
  631   2HG   GLN 100           HG1      GLN 100  -4.073  -7.545  -9.325
  632   1HE2  GLN 100          1HE2      GLN 100  -5.800  -9.426  -9.389
  633   2HE2  GLN 100          2HE2      GLN 100  -6.266  -9.996  -7.826

  No H/Q in entry =         633