*HEADER    PROTEIN BINDING                         01-SEP-06   2J4N
*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           HT2      ALA   1   4.865   5.101  -8.385
    2    H2   ALA   1           HT1      ALA   1   5.712   3.869  -7.542
    3    H3   ALA   1           HT3      ALA   1   4.001   3.935  -7.468
    4    HA   ALA   1           HA       ALA   1   4.668   4.791  -5.481
    5   1HB   ALA   1           HB3      ALA   1   6.534   6.118  -5.105
    6   2HB   ALA   1           HB1      ALA   1   6.595   6.681  -6.775
    7   3HB   ALA   1           HB2      ALA   1   7.075   5.030  -6.384
    8    H    MET   2           HN       MET   2   2.579   5.396  -7.207
    9    HA   MET   2           HA       MET   2   1.753   7.911  -6.201
   10   1HB   MET   2           HB2      MET   2   3.367   8.316  -8.294
   11   2HB   MET   2           HB1      MET   2   1.864   8.052  -9.167
   12   1HG   MET   2           HG2      MET   2   0.998  10.018  -8.536
   13   2HG   MET   2           HG1      MET   2   1.658   9.904  -6.905
   14   1HE   MET   2           HE2      MET   2   3.937  10.158  -6.298
   15   2HE   MET   2           HE1      MET   2   5.131   9.907  -7.572
   16   3HE   MET   2           HE3      MET   2   4.916  11.510  -6.868
   17    H    ALA   3           HN       ALA   3  -0.004   6.628  -5.562
   18    HA   ALA   3           HA       ALA   3  -2.114   6.465  -7.516
   19   1HB   ALA   3           HB2      ALA   3  -2.350   4.228  -7.752
   20   2HB   ALA   3           HB3      ALA   3  -1.749   3.882  -6.130
   21   3HB   ALA   3           HB1      ALA   3  -0.616   4.244  -7.432
   22    H    CYS   4           HN       CYS   4  -1.563   7.837  -4.993
   23    HA   CYS   4           HA       CYS   4  -3.193   6.618  -2.971
   24   1HB   CYS   4           HB2      CYS   4  -2.953   8.910  -1.867
   25   2HB   CYS   4           HB1      CYS   4  -1.472   7.999  -2.134
   26    H    TRP   5           HN       TRP   5  -5.246   7.176  -2.312
   27    HA   TRP   5           HA       TRP   5  -6.974   8.196  -4.357
   28   1HB   TRP   5           HB2      TRP   5  -8.755   7.862  -2.587
   29   2HB   TRP   5           HB1      TRP   5  -7.839   6.423  -3.022
   30    HD1  TRP   5           HD1      TRP   5  -6.687   5.159  -1.094
   31    HE1  TRP   5           HE1      TRP   5  -6.354   5.577   1.425
   32    HE3  TRP   5           HE3      TRP   5  -8.401   9.935  -0.869
   33    HZ2  TRP   5           HZ2      TRP   5  -6.776   7.685   3.267
   34    HZ3  TRP   5           HZ3      TRP   5  -8.414  11.100   1.300
   35    HH2  TRP   5           HH2      TRP   5  -7.616   9.995   3.326
   36    H    ALA   6           HN       ALA   6  -5.168   9.635  -1.878
   37    HA   ALA   6           HA       ALA   6  -6.939  11.812  -1.294
   38   1HB   ALA   6           HB3      ALA   6  -4.016  11.368  -0.725
   39   2HB   ALA   6           HB2      ALA   6  -4.911  12.793  -0.197
   40   3HB   ALA   6           HB1      ALA   6  -5.372  11.195   0.389
   41    H    GLN   7           HN       GLN   7  -4.477  11.158  -3.668
   42    HA   GLN   7           HA       GLN   7  -4.015  13.866  -4.422
   43   1HB   GLN   7           HB2      GLN   7  -2.839  12.951  -6.339
   44   2HB   GLN   7           HB1      GLN   7  -2.393  12.072  -4.885
   45   1HG   GLN   7           HG2      GLN   7  -2.942  10.172  -5.863
   46   2HG   GLN   7           HG1      GLN   7  -4.603  10.739  -6.037
   47   1HE2  GLN   7          1HE2      GLN   7  -1.496  10.440  -7.585
   48   2HE2  GLN   7          2HE2      GLN   7  -2.051  10.709  -9.199
   49    H    SER   8           HN       SER   8  -6.456  11.542  -5.171
   50    HA   SER   8           HA       SER   8  -7.337  12.391  -7.661
   51   1HB   SER   8           HB2      SER   8  -8.171  10.484  -5.992
   52   2HB   SER   8           HB1      SER   8  -9.395  11.698  -5.619
   53    HG   SER   8           HG       SER   8  -8.966  10.256  -7.955
   54    H    GLN   9           HN       GLN   9  -7.575  13.946  -4.580
   55    HA   GLN   9           HA       GLN   9  -9.506  15.894  -5.602
   56   1HB   GLN   9           HB2      GLN   9  -8.364  15.811  -2.815
   57   2HB   GLN   9           HB1      GLN   9  -9.846  16.585  -3.359
   58   1HG   GLN   9           HG2      GLN   9 -10.824  14.380  -3.796
   59   2HG   GLN   9           HG1      GLN   9  -9.345  13.621  -3.208
   60   1HE2  GLN   9          1HE2      GLN   9  -9.769  12.737  -1.318
   61   2HE2  GLN   9          2HE2      GLN   9 -10.614  13.487  -0.011
   62    H    GLY  10           HN       GLY  10  -6.159  15.546  -4.669
   63   1HA   GLY  10           HA1      GLY  10  -5.710  18.430  -4.883
   64   2HA   GLY  10           HA2      GLY  10  -4.944  17.405  -6.085
   65    H    TYR  11           HN       TYR  11  -5.318  16.143  -2.891
   66    HA   TYR  11           HA       TYR  11  -2.923  17.114  -1.750
   67   1HB   TYR  11           HB2      TYR  11  -4.810  14.876  -1.144
   68   2HB   TYR  11           HB1      TYR  11  -3.247  14.901  -0.337
   69    HD1  TYR  11           HD1      TYR  11  -2.618  17.176   0.824
   70    HD2  TYR  11           HD2      TYR  11  -6.583  16.017  -0.198
   71    HE1  TYR  11           HE1      TYR  11  -3.503  18.759   2.482
   72    HE2  TYR  11           HE2      TYR  11  -7.478  17.599   1.457
   73    HH   TYR  11           HH       TYR  11  -6.333  18.681   3.776
   74    H    ASN  12           HN       ASN  12  -1.453  15.028  -0.860
   75    HA   ASN  12           HA       ASN  12  -0.513  13.660  -3.290
   76   1HB   ASN  12           HB2      ASN  12   1.219  14.929  -1.156
   77   2HB   ASN  12           HB1      ASN  12   1.809  13.989  -2.524
   78   1HD2  ASN  12          1HD2      ASN  12   2.444  16.703  -1.848
   79   2HD2  ASN  12          2HD2      ASN  12   1.938  17.685  -3.177
   80    H    CYS  13           HN       CYS  13   0.929  11.769  -2.764
   81    HA   CYS  13           HA       CYS  13  -0.392  10.120  -0.825
   82   1HB   CYS  13           HB2      CYS  13   2.141   9.350  -2.246
   83   2HB   CYS  13           HB1      CYS  13   0.800   8.327  -1.741
   84    H    CYS  14           HN       CYS  14   0.247   9.590   1.184
   85    HA   CYS  14           HA       CYS  14   2.542  10.988   2.279
   86   1HB   CYS  14           HB2      CYS  14   0.031  10.189   3.280
   87   2HB   CYS  14           HB1      CYS  14   1.229   9.269   4.181
   88    H    ASN  15           HN       ASN  15   4.334   9.919   1.512
   89    HA   ASN  15           HA       ASN  15   4.920   7.320   1.153
   90   1HB   ASN  15           HB2      ASN  15   6.579   8.970   0.708
   91   2HB   ASN  15           HB1      ASN  15   6.612   9.492   2.387
   92   1HD2  ASN  15          1HD2      ASN  15   8.561   9.074   3.098
   93   2HD2  ASN  15          2HD2      ASN  15   9.393   7.565   2.957
   94    H    ASN  16           HN       ASN  16   5.700   5.573   2.391
   95    HA   ASN  16           HA       ASN  16   5.443   4.094   4.107
   96   1HB   ASN  16           HB2      ASN  16   6.711   4.595   6.068
   97   2HB   ASN  16           HB1      ASN  16   7.535   5.343   4.706
   98   1HD2  ASN  16          1HD2      ASN  16   7.407   7.609   4.468
   99   2HD2  ASN  16          2HD2      ASN  16   7.076   8.627   5.820
  100    HA   PRO  17           HA       PRO  17   1.591   6.350   5.727
  101   1HB   PRO  17           HB2      PRO  17  -0.215   4.736   4.458
  102   2HB   PRO  17           HB1      PRO  17   0.381   6.258   3.786
  103   1HG   PRO  17           HG2      PRO  17   1.249   3.457   3.197
  104   2HG   PRO  17           HG1      PRO  17   0.989   4.807   2.078
  105   1HD   PRO  17           HD2      PRO  17   3.451   4.064   2.886
  106   2HD   PRO  17           HD1      PRO  17   3.039   5.758   2.556
  107    H    SER  18           HN       SER  18   2.916   3.191   5.582
  108    HA   SER  18           HA       SER  18   1.038   1.840   7.228
  109   1HB   SER  18           HB2      SER  18   3.963   1.180   6.825
  110   2HB   SER  18           HB1      SER  18   2.696   0.082   7.374
  111    HG   SER  18           HG       SER  18   2.824   1.345   4.833
  112    H    SER  19           HN       SER  19   3.281   4.259   7.936
  113    HA   SER  19           HA       SER  19   3.053   3.653  10.798
  114   1HB   SER  19           HB2      SER  19   5.336   3.010   9.835
  115   2HB   SER  19           HB1      SER  19   5.607   4.739   9.613
  116    HG   SER  19           HG       SER  19   4.854   3.617  12.100
  117    H    THR  20           HN       THR  20   2.200   5.696   8.485
  118    HA   THR  20           HA       THR  20   2.995   8.226   9.453
  119    HB   THR  20           HB       THR  20   0.837   7.246   7.599
  120    HG1  THR  20           HG1      THR  20   2.150   8.297   6.078
  121   1HG2  THR  20          1HG2      THR  20   1.433  10.107   8.264
  122   2HG2  THR  20          3HG2      THR  20   0.417   9.542   6.940
  123   3HG2  THR  20          2HG2      THR  20  -0.059   9.235   8.610
  124    H    LYS  21           HN       LYS  21   1.875   9.709  10.703
  125    HA   LYS  21           HA       LYS  21  -0.066   8.556  12.543
  126   1HB   LYS  21           HB2      LYS  21   1.898   9.910  13.345
  127   2HB   LYS  21           HB1      LYS  21   1.158  11.319  12.597
  128   1HG   LYS  21           HG2      LYS  21  -0.546   9.788  14.454
  129   2HG   LYS  21           HG1      LYS  21   0.817  10.654  15.167
  130   1HD   LYS  21           HD2      LYS  21   0.031  12.700  13.944
  131   2HD   LYS  21           HD1      LYS  21  -1.417  11.796  13.497
  132   1HE   LYS  21           HE2      LYS  21  -2.275  12.618  15.398
  133   2HE   LYS  21           HE1      LYS  21  -1.307  11.376  16.190
  134   1HZ   LYS  21           HZ2      LYS  21  -0.362  14.141  15.665
  135   2HZ   LYS  21           HZ1      LYS  21  -1.019  13.626  17.136
  136   3HZ   LYS  21           HZ3      LYS  21   0.428  12.953  16.573
  137    H    VAL  22           HN       VAL  22  -2.162   8.692  12.051
  138    HA   VAL  22           HA       VAL  22  -3.111  10.730  10.236
  139    HB   VAL  22           HB       VAL  22  -4.469   8.328  11.470
  140   1HG1  VAL  22          3HG1      VAL  22  -6.077  10.142  11.073
  141   2HG1  VAL  22          2HG1      VAL  22  -5.552  10.223   9.392
  142   3HG1  VAL  22          1HG1      VAL  22  -6.346   8.770   9.999
  143   1HG2  VAL  22          3HG2      VAL  22  -2.642   8.216   9.576
  144   2HG2  VAL  22          2HG2      VAL  22  -4.077   7.191   9.532
  145   3HG2  VAL  22          1HG2      VAL  22  -4.010   8.658   8.555
  146    H    GLU  23           HN       GLU  23  -3.159  12.596  11.387
  147    HA   GLU  23           HA       GLU  23  -4.484  12.685  13.974
  148   1HB   GLU  23           HB2      GLU  23  -3.974  15.224  13.636
  149   2HB   GLU  23           HB1      GLU  23  -2.657  14.121  14.006
  150   1HG   GLU  23           HG2      GLU  23  -1.914  14.112  11.757
  151   2HG   GLU  23           HG1      GLU  23  -3.374  14.930  11.203
  152    H    TYR  24           HN       TYR  24  -5.454  12.562  10.864
  153    HA   TYR  24           HA       TYR  24  -7.935  14.014  11.496
  154   1HB   TYR  24           HB2      TYR  24  -6.308  15.358  10.011
  155   2HB   TYR  24           HB1      TYR  24  -6.743  14.213   8.747
  156    HD1  TYR  24           HD1      TYR  24  -7.661  17.214  10.440
  157    HD2  TYR  24           HD2      TYR  24  -9.237  13.968   8.184
  158    HE1  TYR  24           HE1      TYR  24  -9.667  18.545   9.936
  159    HE2  TYR  24           HE2      TYR  24 -11.248  15.290   7.673
  160    HH   TYR  24           HH       TYR  24 -11.968  17.584   7.582
  161    H    THR  25           HN       THR  25  -9.797  13.316  10.371
  162    HA   THR  25           HA       THR  25  -9.669  11.128   8.528
  163    HB   THR  25           HB       THR  25 -10.849  10.594  11.260
  164    HG1  THR  25           HG1      THR  25  -8.852  10.094  11.672
  165   1HG2  THR  25          3HG2      THR  25 -11.465   9.413   8.804
  166   2HG2  THR  25          2HG2      THR  25 -10.405   8.276   9.641
  167   3HG2  THR  25          1HG2      THR  25 -11.886   8.836  10.417
  168    H    ASP  26           HN       ASP  26 -11.184  11.619   7.122
  169    HA   ASP  26           HA       ASP  26 -13.735  12.714   8.109
  170   1HB   ASP  26           HB2      ASP  26 -11.881  13.948   6.384
  171   2HB   ASP  26           HB1      ASP  26 -13.216  13.433   5.359
  172    H    ALA  27           HN       ALA  27 -15.022  12.675   5.579
  173    HA   ALA  27           HA       ALA  27 -15.714   9.879   5.464
  174   1HB   ALA  27           HB1      ALA  27 -17.549  10.520   4.134
  175   2HB   ALA  27           HB2      ALA  27 -16.778  12.034   3.659
  176   3HB   ALA  27           HB3      ALA  27 -17.348  11.816   5.314
  177    H    SER  28           HN       SER  28 -13.199  11.459   4.172
  178    HA   SER  28           HA       SER  28 -13.320  10.153   1.555
  179   1HB   SER  28           HB2      SER  28 -12.616  12.387   1.294
  180   2HB   SER  28           HB1      SER  28 -11.571  12.315   2.713
  181    HG   SER  28           HG       SER  28 -11.085  11.535   0.115
  182    H    GLY  29           HN       GLY  29 -11.817   9.982   4.662
  183   1HA   GLY  29           HA1      GLY  29  -9.820   8.059   3.724
  184   2HA   GLY  29           HA2      GLY  29 -11.041   7.497   4.857
  185    H    GLN  30           HN       GLN  30  -7.955   8.319   4.752
  186    HA   GLN  30           HA       GLN  30  -7.986   9.682   7.363
  187   1HB   GLN  30           HB2      GLN  30  -6.248   7.382   6.464
  188   2HB   GLN  30           HB1      GLN  30  -5.945   8.324   7.917
  189   1HG   GLN  30           HG2      GLN  30  -8.024   7.609   8.880
  190   2HG   GLN  30           HG1      GLN  30  -8.477   6.790   7.386
  191   1HE2  GLN  30          1HE2      GLN  30  -6.494   5.306   6.649
  192   2HE2  GLN  30          2HE2      GLN  30  -5.982   4.200   7.874
  193    H    TRP  31           HN       TRP  31  -6.310  11.129   7.791
  194    HA   TRP  31           HA       TRP  31  -4.451  11.697   5.594
  195   1HB   TRP  31           HB2      TRP  31  -5.856  13.922   7.057
  196   2HB   TRP  31           HB1      TRP  31  -4.919  14.015   5.571
  197    HD1  TRP  31           HD1      TRP  31  -8.329  12.729   6.844
  198    HE1  TRP  31           HE1      TRP  31  -9.964  12.698   4.856
  199    HE3  TRP  31           HE3      TRP  31  -5.082  13.991   3.102
  200    HZ2  TRP  31           HZ2      TRP  31  -9.886  13.150   2.069
  201    HZ3  TRP  31           HZ3      TRP  31  -5.942  14.169   0.804
  202    HH2  TRP  31           HH2      TRP  31  -8.295  13.757   0.300
  203    H    GLY  32           HN       GLY  32  -2.524  12.766   6.206
  204   1HA   GLY  32           HA1      GLY  32  -1.237  11.910   8.440
  205   2HA   GLY  32           HA2      GLY  32  -2.017  13.393   8.972
  206    H    VAL  33           HN       VAL  33   0.005  14.386   9.330
  207    HA   VAL  33           HA       VAL  33   1.200  15.442   6.879
  208    HB   VAL  33           HB       VAL  33   1.597  16.341   9.737
  209   1HG1  VAL  33          1HG1      VAL  33   3.489  16.841   8.215
  210   2HG1  VAL  33          3HG1      VAL  33   2.373  17.719   7.168
  211   3HG1  VAL  33          2HG1      VAL  33   2.675  18.289   8.809
  212   1HG2  VAL  33          3HG2      VAL  33  -0.186  17.378   7.543
  213   2HG2  VAL  33          2HG2      VAL  33  -0.663  16.777   9.131
  214   3HG2  VAL  33          1HG2      VAL  33   0.215  18.300   8.992
  215    H    GLN  34           HN       GLN  34   2.935  14.446   6.110
  216    HA   GLN  34           HA       GLN  34   4.901  13.387   8.033
  217   1HB   GLN  34           HB2      GLN  34   3.563  11.703   6.549
  218   2HB   GLN  34           HB1      GLN  34   4.635  12.261   5.267
  219   1HG   GLN  34           HG2      GLN  34   6.239  10.935   5.973
  220   2HG   GLN  34           HG1      GLN  34   6.194  11.674   7.573
  221   1HE2  GLN  34          1HE2      GLN  34   5.168   9.043   5.601
  222   2HE2  GLN  34          2HE2      GLN  34   4.546   8.048   6.872
  223    H    ASN  35           HN       ASN  35   6.896  14.182   7.864
  224    HA   ASN  35           HA       ASN  35   8.671  15.384   7.108
  225   1HB   ASN  35           HB2      ASN  35   8.844  13.647   5.448
  226   2HB   ASN  35           HB1      ASN  35   7.562  14.366   4.485
  227   1HD2  ASN  35          1HD2      ASN  35   8.609  14.746   2.652
  228   2HD2  ASN  35          2HD2      ASN  35   9.981  15.786   2.492
  229    H    GLY  36           HN       GLY  36   6.127  16.717   7.559
  230   1HA   GLY  36           HA1      GLY  36   6.788  19.277   6.539
  231   2HA   GLY  36           HA2      GLY  36   5.321  18.862   7.411
  232    H    GLN  37           HN       GLN  37   4.152  17.026   5.730
  233    HA   GLN  37           HA       GLN  37   3.164  18.767   3.655
  234   1HB   GLN  37           HB2      GLN  37   4.448  16.142   2.878
  235   2HB   GLN  37           HB1      GLN  37   3.613  17.249   1.797
  236   1HG   GLN  37           HG2      GLN  37   5.335  18.968   2.361
  237   2HG   GLN  37           HG1      GLN  37   6.209  17.714   3.239
  238   1HE2  GLN  37          1HE2      GLN  37   4.525  17.846   0.116
  239   2HE2  GLN  37          2HE2      GLN  37   5.850  17.245  -0.817
  240    H    TRP  38           HN       TRP  38   1.038  18.467   3.472
  241    HA   TRP  38           HA       TRP  38  -0.321  16.475   4.950
  242   1HB   TRP  38           HB2      TRP  38  -1.106  18.604   3.019
  243   2HB   TRP  38           HB1      TRP  38  -2.265  17.315   3.323
  244    HD1  TRP  38           HD1      TRP  38  -1.727  20.632   4.416
  245    HE1  TRP  38           HE1      TRP  38  -2.553  21.049   6.818
  246    HE3  TRP  38           HE3      TRP  38  -2.130  15.783   5.992
  247    HZ2  TRP  38           HZ2      TRP  38  -3.280  19.526   9.080
  248    HZ3  TRP  38           HZ3      TRP  38  -2.899  15.350   8.291
  249    HH2  TRP  38           HH2      TRP  38  -3.461  17.184   9.800
  250    H    CYS  39           HN       CYS  39  -1.376  14.611   4.299
  251    HA   CYS  39           HA       CYS  39  -1.686  13.784   1.631
  252   1HB   CYS  39           HB2      CYS  39   0.069  11.796   2.044
  253   2HB   CYS  39           HB1      CYS  39   0.489  13.282   1.208
  254    H    GLY  40           HN       GLY  40  -2.744  11.791   1.436
  255   1HA   GLY  40           HA1      GLY  40  -4.411  10.378   2.217
  256   2HA   GLY  40           HA2      GLY  40  -4.100  10.957   3.846
  257    H    ILE  41           HN       ILE  41  -4.232   8.796   4.615
  258    HA   ILE  41           HA       ILE  41  -1.689   7.405   4.416
  259    HB   ILE  41           HB       ILE  41  -3.999   7.297   6.301
  260   1HG1  ILE  41          2HG1      ILE  41  -2.057   7.307   7.928
  261   2HG1  ILE  41          1HG1      ILE  41  -0.998   7.490   6.534
  262   1HG2  ILE  41          2HG2      ILE  41  -2.169   5.012   5.704
  263   2HG2  ILE  41          1HG2      ILE  41  -2.747   5.275   7.350
  264   3HG2  ILE  41          3HG2      ILE  41  -3.900   5.004   6.043
  265   1HD1  ILE  41          2HD1      ILE  41  -3.230   9.400   6.739
  266   2HD1  ILE  41          1HD1      ILE  41  -1.944   9.548   7.936
  267   3HD1  ILE  41          3HD1      ILE  41  -1.564   9.644   6.217
  268    H    ASP  42           HN       ASP  42  -1.620   6.342   2.509
  269    HA   ASP  42           HA       ASP  42  -3.708   4.318   2.036
  270   1HB   ASP  42           HB2      ASP  42  -1.984   5.669  -0.052
  271   2HB   ASP  42           HB1      ASP  42  -3.287   4.525  -0.351
  272    H    TYR  43           HN       TYR  43  -2.650   2.686   3.179
  273    HA   TYR  43           HA       TYR  43   0.006   2.010   3.172
  274   1HB   TYR  43           HB2      TYR  43  -2.215  -0.033   3.076
  275   2HB   TYR  43           HB1      TYR  43  -0.636  -0.199   3.839
  276    HD1  TYR  43           HD1      TYR  43  -3.421  -0.598   5.103
  277    HD2  TYR  43           HD2      TYR  43  -0.737   2.704   5.025
  278    HE1  TYR  43           HE1      TYR  43  -4.363   0.213   7.225
  279    HE2  TYR  43           HE2      TYR  43  -1.672   3.525   7.146
  280    HH   TYR  43           HH       TYR  43  -3.469   1.712   9.184
  281    H    SER  44           HN       SER  44  -2.321   1.567   0.641
  282    HA   SER  44           HA       SER  44  -0.239   0.329  -1.039
  283   1HB   SER  44           HB2      SER  44  -3.193  -0.175  -0.872
  284   2HB   SER  44           HB1      SER  44  -2.365  -0.399  -2.414
  285    HG   SER  44           HG       SER  44  -2.171  -1.857  -0.054
  286    H    TYR  45           HN       TYR  45  -0.163   2.987  -0.770
  287    HA   TYR  45           HA       TYR  45  -1.823   4.436  -2.525
  288   1HB   TYR  45           HB2      TYR  45  -0.742   6.260  -1.762
  289   2HB   TYR  45           HB1      TYR  45  -0.127   5.139  -0.562
  290    HD1  TYR  45           HD1      TYR  45   2.183   4.739  -0.363
  291    HD2  TYR  45           HD2      TYR  45   0.685   6.791  -3.768
  292    HE1  TYR  45           HE1      TYR  45   4.479   5.332  -1.006
  293    HE2  TYR  45           HE2      TYR  45   2.975   7.393  -4.424
  294    HH   TYR  45           HH       TYR  45   5.522   7.340  -2.476
  295    H    GLY  46           HN       GLY  46   0.575   2.222  -3.282
  296   1HA   GLY  46           HA1      GLY  46   0.896   3.481  -5.937
  297   2HA   GLY  46           HA2      GLY  46   0.696   1.753  -5.702
  298    H    GLN  47           HN       GLN  47   2.456   1.233  -3.663
  299    HA   GLN  47           HA       GLN  47   5.039   2.250  -4.587
  300   1HB   GLN  47           HB2      GLN  47   4.278   0.683  -2.120
  301   2HB   GLN  47           HB1      GLN  47   5.925   1.155  -2.524
  302   1HG   GLN  47           HG2      GLN  47   4.447   3.505  -2.700
  303   2HG   GLN  47           HG1      GLN  47   3.826   2.680  -1.270
  304   1HE2  GLN  47          1HE2      GLN  47   6.266   4.621  -2.513
  305   2HE2  GLN  47          2HE2      GLN  47   7.357   4.550  -1.176
  306    H    ASN  48           HN       ASN  48   6.610   0.972  -5.430
  307    HA   ASN  48           HA       ASN  48   5.907  -1.249  -6.928
  308   1HB   ASN  48           HB2      ASN  48   8.698  -0.682  -5.932
  309   2HB   ASN  48           HB1      ASN  48   8.234  -1.512  -7.414
  310   1HD2  ASN  48          1HD2      ASN  48   9.985   0.583  -7.467
  311   2HD2  ASN  48          2HD2      ASN  48   9.245   1.942  -8.235
  312    H    GLN  49           HN       GLN  49   7.298  -3.350  -6.759
  313    HA   GLN  49           HA       GLN  49   6.548  -4.613  -4.247
  314   1HB   GLN  49           HB2      GLN  49   5.798  -5.942  -5.970
  315   2HB   GLN  49           HB1      GLN  49   7.125  -5.513  -7.035
  316   1HG   GLN  49           HG2      GLN  49   7.785  -7.174  -4.679
  317   2HG   GLN  49           HG1      GLN  49   6.815  -7.919  -5.944
  318   1HE2  GLN  49          1HE2      GLN  49   9.191  -9.008  -5.505
  319   2HE2  GLN  49          2HE2      GLN  49  10.309  -8.615  -6.762
  320    H    GLY  50           HN       GLY  50   8.733  -2.788  -4.137
  321   1HA   GLY  50           HA1      GLY  50  11.035  -2.664  -3.749
  322   2HA   GLY  50           HA2      GLY  50  11.158  -4.387  -4.062
  323    H    ASN  51           HN       ASN  51   8.747  -4.566  -2.060
  324    HA   ASN  51           HA       ASN  51   8.534  -5.196   0.118
  325   1HB   ASN  51           HB2      ASN  51  10.777  -6.343  -0.482
  326   2HB   ASN  51           HB1      ASN  51  11.514  -5.049   0.458
  327   1HD2  ASN  51          1HD2      ASN  51   9.139  -7.647   0.606
  328   2HD2  ASN  51          2HD2      ASN  51   9.308  -7.949   2.299
  329    H    GLU  52           HN       GLU  52   8.286  -2.492  -0.491
  330    HA   GLU  52           HA       GLU  52   9.808  -0.883   1.323
  331   1HB   GLU  52           HB2      GLU  52   7.302  -0.316  -0.265
  332   2HB   GLU  52           HB1      GLU  52   8.137   0.887   0.708
  333   1HG   GLU  52           HG2      GLU  52  10.114  -0.223  -0.903
  334   2HG   GLU  52           HG1      GLU  52   8.709  -0.050  -1.955
  335    H    SER  53           HN       SER  53   6.748  -2.567   1.452
  336    HA   SER  53           HA       SER  53   6.624  -2.222   4.302
  337   1HB   SER  53           HB2      SER  53   5.463  -0.185   2.990
  338   2HB   SER  53           HB1      SER  53   4.112  -1.318   3.004
  339    HG   SER  53           HG       SER  53   4.635   0.252   4.902
  340    H    CYS  54           HN       CYS  54   4.093  -2.977   4.864
  341    HA   CYS  54           HA       CYS  54   3.562  -5.398   3.299
  342   1HB   CYS  54           HB2      CYS  54   3.525  -6.822   5.198
  343   2HB   CYS  54           HB1      CYS  54   5.016  -5.898   5.333
  344    H    THR  55           HN       THR  55   1.437  -6.405   3.970
  345    HA   THR  55           HA       THR  55  -0.542  -4.296   4.298
  346    HB   THR  55           HB       THR  55  -0.844  -7.200   3.494
  347    HG1  THR  55           HG1      THR  55  -0.282  -6.430   1.640
  348   1HG2  THR  55          2HG2      THR  55  -2.890  -5.003   3.637
  349   2HG2  THR  55          1HG2      THR  55  -3.105  -6.484   2.701
  350   3HG2  THR  55          3HG2      THR  55  -2.918  -6.565   4.454
  351    H    GLY  56           HN       GLY  56  -2.507  -4.900   5.652
  352   1HA   GLY  56           HA1      GLY  56  -2.112  -6.806   7.760
  353   2HA   GLY  56           HA2      GLY  56  -3.450  -5.681   7.606
  354    H    ASN  57           HN       ASN  57  -1.192  -3.547   7.313
  355    HA   ASN  57           HA       ASN  57  -0.089  -3.457   9.974
  356   1HB   ASN  57           HB2      ASN  57  -0.148  -0.967   8.364
  357   2HB   ASN  57           HB1      ASN  57   1.177  -1.695   9.264
  358   1HD2  ASN  57          1HD2      ASN  57   0.999  -0.592   6.533
  359   2HD2  ASN  57          2HD2      ASN  57   1.574  -1.849   5.497
  360    H    GLY  58           HN       GLY  58  -3.163  -3.140   9.119
  361   1HA   GLY  58           HA1      GLY  58  -4.963  -1.878   9.829
  362   2HA   GLY  58           HA2      GLY  58  -3.839  -0.640  10.372
  363    H    SER  59           HN       SER  59  -3.499  -3.959  11.386
  364    HA   SER  59           HA       SER  59  -3.721  -3.169  14.132
  365   1HB   SER  59           HB2      SER  59  -6.065  -3.415  13.789
  366   2HB   SER  59           HB1      SER  59  -5.844  -4.919  12.894
  367    HG   SER  59           HG       SER  59  -6.434  -5.520  14.919
  368    H    TYR  60           HN       TYR  60  -3.544  -5.855  11.829
  369    HA   TYR  60           HA       TYR  60  -2.103  -7.466  13.796
  370   1HB   TYR  60           HB2      TYR  60  -2.372  -8.690  11.174
  371   2HB   TYR  60           HB1      TYR  60  -2.930  -9.263  12.739
  372    HD1  TYR  60           HD1      TYR  60  -3.932  -8.208   9.557
  373    HD2  TYR  60           HD2      TYR  60  -5.100  -8.031  13.642
  374    HE1  TYR  60           HE1      TYR  60  -6.251  -7.774   8.868
  375    HE2  TYR  60           HE2      TYR  60  -7.424  -7.595  12.966
  376    HH   TYR  60           HH       TYR  60  -8.285  -6.807   9.749
  377    HA   PRO  61           HA       PRO  61   1.820  -7.030  11.756
  378   1HB   PRO  61           HB2      PRO  61   2.956  -9.418  11.922
  379   2HB   PRO  61           HB1      PRO  61   2.424  -8.589  13.392
  380   1HG   PRO  61           HG2      PRO  61   1.098 -10.813  11.884
  381   2HG   PRO  61           HG1      PRO  61   1.271 -10.596  13.636
  382   1HD   PRO  61           HD2      PRO  61  -0.983  -9.935  12.144
  383   2HD   PRO  61           HD1      PRO  61  -0.605  -9.311  13.761
  384    H    CYS  62           HN       CYS  62   3.431  -8.374  10.182
  385    HA   CYS  62           HA       CYS  62   1.958  -8.631   7.672
  386   1HB   CYS  62           HB2      CYS  62   4.934  -8.874   7.797
  387   2HB   CYS  62           HB1      CYS  62   3.925  -8.150   6.555
  388    H    CYS  63           HN       CYS  63   2.112 -10.474   6.337
  389    HA   CYS  63           HA       CYS  63   2.405 -12.932   7.790
  390   1HB   CYS  63           HB2      CYS  63   1.362 -12.113   5.150
  391   2HB   CYS  63           HB1      CYS  63   2.030 -13.736   5.226
  392    H    ASN  64           HN       ASN  64   3.788 -11.811   4.743
  393    HA   ASN  64           HA       ASN  64   6.101 -11.702   4.256
  394   1HB   ASN  64           HB2      ASN  64   7.737 -12.854   5.375
  395   2HB   ASN  64           HB1      ASN  64   6.514 -12.802   6.633
  396   1HD2  ASN  64          1HD2      ASN  64   7.764 -14.806   4.007
  397   2HD2  ASN  64          2HD2      ASN  64   7.415 -16.323   4.756
  398    H    THR  65           HN       THR  65   3.688 -13.968   3.914
  399    HA   THR  65           HA       THR  65   5.107 -15.419   1.798
  400    HB   THR  65           HB       THR  65   3.918 -16.697   3.595
  401    HG1  THR  65           HG1      THR  65   4.253 -17.567   1.478
  402   1HG2  THR  65          2HG2      THR  65   1.964 -15.153   3.788
  403   2HG2  THR  65          1HG2      THR  65   1.384 -15.801   2.254
  404   3HG2  THR  65          3HG2      THR  65   1.556 -16.864   3.651
  405    H    CYS  66           HN       CYS  66   4.339 -15.449  -0.313
  406    HA   CYS  66           HA       CYS  66   2.573 -13.224  -0.983
  407   1HB   CYS  66           HB2      CYS  66   3.988 -14.959  -2.996
  408   2HB   CYS  66           HB1      CYS  66   3.469 -13.283  -3.156
  409    H    GLN  67           HN       GLN  67   1.333 -15.369   0.241
  410    HA   GLN  67           HA       GLN  67  -0.313 -16.448  -1.947
  411   1HB   GLN  67           HB2      GLN  67   0.620 -18.397  -1.136
  412   2HB   GLN  67           HB1      GLN  67   0.826 -17.752   0.483
  413   1HG   GLN  67           HG2      GLN  67  -1.973 -18.008  -0.151
  414   2HG   GLN  67           HG1      GLN  67  -1.127 -19.530  -0.414
  415   1HE2  GLN  67          1HE2      GLN  67  -0.310 -17.051   1.948
  416   2HE2  GLN  67          2HE2      GLN  67  -0.619 -18.021   3.344
  417    H    ALA  68           HN       ALA  68  -1.777 -14.768  -1.847
  418    HA   ALA  68           HA       ALA  68  -3.007 -14.062   0.668
  419   1HB   ALA  68           HB1      ALA  68  -3.098 -12.975  -2.099
  420   2HB   ALA  68           HB2      ALA  68  -2.714 -12.170  -0.577
  421   3HB   ALA  68           HB3      ALA  68  -4.387 -12.575  -0.963
  422    H    THR  69           HN       THR  69  -4.078 -15.900   1.228
  423    HA   THR  69           HA       THR  69  -5.845 -17.348  -0.398
  424    HB   THR  69           HB       THR  69  -5.330 -18.562   1.469
  425    HG1  THR  69           HG1      THR  69  -7.590 -17.230   2.528
  426   1HG2  THR  69          1HG2      THR  69  -5.480 -16.008   3.025
  427   2HG2  THR  69          3HG2      THR  69  -5.388 -17.591   3.802
  428   3HG2  THR  69          2HG2      THR  69  -4.083 -17.049   2.742
  429    H    TYR  70           HN       TYR  70  -6.188 -14.292   1.191
  430    HA   TYR  70           HA       TYR  70  -8.827 -14.019   0.051
  431   1HB   TYR  70           HB2      TYR  70 -10.092 -13.933   1.945
  432   2HB   TYR  70           HB1      TYR  70  -8.855 -15.046   2.511
  433    HD1  TYR  70           HD1      TYR  70  -9.564 -11.370   2.409
  434    HD2  TYR  70           HD2      TYR  70  -7.857 -14.628   4.550
  435    HE1  TYR  70           HE1      TYR  70  -9.116  -9.881   4.310
  436    HE2  TYR  70           HE2      TYR  70  -7.398 -13.143   6.455
  437    HH   TYR  70           HH       TYR  70  -7.050 -10.657   6.810
  438    H    THR  71           HN       THR  71  -9.389 -11.933  -0.370
  439    HA   THR  71           HA       THR  71  -7.459  -9.862   0.450
  440    HB   THR  71           HB       THR  71  -9.012 -10.076  -2.136
  441    HG1  THR  71           HG1      THR  71  -7.112 -11.393  -1.938
  442   1HG2  THR  71          1HG2      THR  71  -8.566  -7.719  -1.149
  443   2HG2  THR  71          3HG2      THR  71  -6.900  -8.033  -1.638
  444   3HG2  THR  71          2HG2      THR  71  -8.190  -8.050  -2.841
  445    H    ASP  72           HN       ASP  72  -8.252  -7.956   1.226
  446    HA   ASP  72           HA       ASP  72 -11.178  -7.745   1.432
  447   1HB   ASP  72           HB2      ASP  72  -9.406  -8.104   3.538
  448   2HB   ASP  72           HB1      ASP  72  -9.728  -6.373   3.558
  449    H    GLY  73           HN       GLY  73 -11.329  -5.254   2.610
  450   1HA   GLY  73           HA1      GLY  73 -11.577  -3.080   1.902
  451   2HA   GLY  73           HA2      GLY  73 -10.954  -3.571   0.336
  452    H    ASP  74           HN       ASP  74  -8.652  -4.593   2.448
  453    HA   ASP  74           HA       ASP  74  -7.227  -2.017   2.286
  454   1HB   ASP  74           HB2      ASP  74  -7.767  -3.635   4.559
  455   2HB   ASP  74           HB1      ASP  74  -6.036  -3.720   4.251
  456    H    GLY  75           HN       GLY  75  -7.405  -4.845   0.772
  457   1HA   GLY  75           HA1      GLY  75  -4.480  -5.108   0.471
  458   2HA   GLY  75           HA2      GLY  75  -5.562  -5.078  -0.915
  459    H    ASP  76           HN       ASP  76  -3.697  -7.154  -0.142
  460    HA   ASP  76           HA       ASP  76  -5.580  -9.377  -0.161
  461   1HB   ASP  76           HB2      ASP  76  -2.688  -9.969  -0.279
  462   2HB   ASP  76           HB1      ASP  76  -4.003 -10.557  -1.288
  463    H    TRP  77           HN       TRP  77  -5.015 -11.344   1.129
  464    HA   TRP  77           HA       TRP  77  -3.603 -10.824   3.615
  465   1HB   TRP  77           HB2      TRP  77  -6.499 -11.676   3.633
  466   2HB   TRP  77           HB1      TRP  77  -5.477 -11.385   5.037
  467    HD1  TRP  77           HD1      TRP  77  -7.362  -9.500   2.271
  468    HE1  TRP  77           HE1      TRP  77  -7.640  -7.054   2.996
  469    HE3  TRP  77           HE3      TRP  77  -4.478  -9.576   6.488
  470    HZ2  TRP  77           HZ2      TRP  77  -6.760  -5.379   5.074
  471    HZ3  TRP  77           HZ3      TRP  77  -4.249  -7.501   7.787
  472    HH2  TRP  77           HH2      TRP  77  -5.366  -5.445   7.094
  473    H    ALA  78           HN       ALA  78  -3.108 -12.680   4.820
  474    HA   ALA  78           HA       ALA  78  -3.790 -15.266   3.685
  475   1HB   ALA  78           HB1      ALA  78  -0.916 -14.428   4.035
  476   2HB   ALA  78           HB3      ALA  78  -1.503 -15.985   3.445
  477   3HB   ALA  78           HB2      ALA  78  -1.765 -14.526   2.490
  478    H    PHE  79           HN       PHE  79  -3.149 -17.067   5.046
  479    HA   PHE  79           HA       PHE  79  -3.071 -16.295   7.880
  480   1HB   PHE  79           HB2      PHE  79  -4.972 -17.734   7.023
  481   2HB   PHE  79           HB1      PHE  79  -3.784 -19.001   6.733
  482    HD1  PHE  79           HD1      PHE  79  -3.661 -20.627   8.335
  483    HD2  PHE  79           HD2      PHE  79  -4.708 -16.671   9.504
  484    HE1  PHE  79           HE1      PHE  79  -3.899 -21.383  10.664
  485    HE2  PHE  79           HE2      PHE  79  -4.947 -17.420  11.835
  486    HZ   PHE  79           HZ       PHE  79  -4.542 -19.778  12.418
  487    H    GLU  80           HN       GLU  80  -1.018 -16.217   8.563
  488    HA   GLU  80           HA       GLU  80   0.684 -18.552   8.026
  489   1HB   GLU  80           HB2      GLU  80   1.429 -16.809   6.527
  490   2HB   GLU  80           HB1      GLU  80   1.483 -15.646   7.841
  491   1HG   GLU  80           HG2      GLU  80   3.702 -16.386   7.239
  492   2HG   GLU  80           HG1      GLU  80   3.295 -16.884   8.882
  493    H    ASN  81           HN       ASN  81   2.123 -19.118   9.664
  494    HA   ASN  81           HA       ASN  81   2.768 -19.433  11.823
  495   1HB   ASN  81           HB2      ASN  81   2.804 -16.512  11.410
  496   2HB   ASN  81           HB1      ASN  81   2.758 -17.021  13.095
  497   1HD2  ASN  81          1HD2      ASN  81   4.790 -16.061  10.830
  498   2HD2  ASN  81          2HD2      ASN  81   6.206 -16.956  11.250
  499    H    GLY  82           HN       GLY  82  -0.125 -19.432  11.105
  500   1HA   GLY  82           HA1      GLY  82  -1.170 -19.847  13.700
  501   2HA   GLY  82           HA2      GLY  82  -2.099 -19.822  12.208
  502    H    ASN  83           HN       ASN  83  -1.165 -17.072  11.577
  503    HA   ASN  83           HA       ASN  83  -3.055 -15.681  13.334
  504   1HB   ASN  83           HB2      ASN  83  -1.507 -13.723  13.433
  505   2HB   ASN  83           HB1      ASN  83  -0.911 -15.142  14.287
  506   1HD2  ASN  83          1HD2      ASN  83   1.176 -15.389  14.042
  507   2HD2  ASN  83          2HD2      ASN  83   2.086 -15.065  12.610
  508    H    TRP  84           HN       TRP  84  -4.034 -13.833  12.426
  509    HA   TRP  84           HA       TRP  84  -4.245 -13.939   9.543
  510   1HB   TRP  84           HB2      TRP  84  -5.717 -12.515  11.733
  511   2HB   TRP  84           HB1      TRP  84  -5.891 -11.963  10.070
  512    HD1  TRP  84           HD1      TRP  84  -7.826 -13.847  12.296
  513    HE1  TRP  84           HE1      TRP  84  -9.186 -15.712  11.157
  514    HE3  TRP  84           HE3      TRP  84  -5.298 -14.104   7.859
  515    HZ2  TRP  84           HZ2      TRP  84  -9.188 -17.107   8.703
  516    HZ3  TRP  84           HZ3      TRP  84  -6.043 -15.731   6.170
  517    HH2  TRP  84           HH2      TRP  84  -7.947 -17.201   6.585
  518    H    CYS  85           HN       CYS  85  -2.339 -13.167   8.732
  519    HA   CYS  85           HA       CYS  85  -1.654 -10.376   9.369
  520   1HB   CYS  85           HB2      CYS  85   0.584 -11.122   8.231
  521   2HB   CYS  85           HB1      CYS  85   0.267 -11.530   9.912
  522    H    GLY  86           HN       GLY  86  -0.779  -9.088   7.569
  523   1HA   GLY  86           HA1      GLY  86  -1.558  -8.072   5.593
  524   2HA   GLY  86           HA2      GLY  86  -2.370  -9.570   5.168
  525    H    ILE  87           HN       ILE  87  -1.466  -9.289   3.038
  526    HA   ILE  87           HA       ILE  87   1.030 -10.682   2.759
  527    HB   ILE  87           HB       ILE  87  -1.242 -10.102   1.080
  528   1HG1  ILE  87          2HG1      ILE  87  -0.675 -12.137   0.035
  529   2HG1  ILE  87          1HG1      ILE  87   1.030 -11.967   0.433
  530   1HG2  ILE  87          2HG2      ILE  87   0.192  -8.458  -0.009
  531   2HG2  ILE  87          1HG2      ILE  87   1.436  -9.689  -0.241
  532   3HG2  ILE  87          3HG2      ILE  87  -0.115  -9.834  -1.068
  533   1HD1  ILE  87          3HD1      ILE  87  -1.155 -12.451   2.439
  534   2HD1  ILE  87          2HD1      ILE  87  -0.133 -13.703   1.727
  535   3HD1  ILE  87          1HD1      ILE  87   0.583 -12.452   2.738
  536    H    LYS  88           HN       LYS  88   2.967  -9.933   2.062
  537    HA   LYS  88           HA       LYS  88   3.611  -7.226   2.564
  538   1HB   LYS  88           HB2      LYS  88   5.298  -9.167   0.989
  539   2HB   LYS  88           HB1      LYS  88   5.843  -7.791   1.937
  540   1HG   LYS  88           HG2      LYS  88   4.588 -10.295   3.045
  541   2HG   LYS  88           HG1      LYS  88   6.310  -9.910   3.051
  542   1HD   LYS  88           HD2      LYS  88   5.234  -7.679   4.197
  543   2HD   LYS  88           HD1      LYS  88   4.152  -8.943   4.784
  544   1HE   LYS  88           HE2      LYS  88   6.133  -8.461   6.252
  545   2HE   LYS  88           HE1      LYS  88   5.950 -10.145   5.765
  546   1HZ   LYS  88           HZ1      LYS  88   7.629  -8.408   4.111
  547   2HZ   LYS  88           HZ3      LYS  88   8.246  -8.917   5.603
  548   3HZ   LYS  88           HZ2      LYS  88   7.784 -10.059   4.444
  549    H    ASN  89           HN       ASN  89   3.985  -5.517   1.207
  550    HA   ASN  89           HA       ASN  89   2.585  -5.373  -1.203
  551   1HB   ASN  89           HB2      ASN  89   3.345  -3.182  -1.374
  552   2HB   ASN  89           HB1      ASN  89   3.492  -3.482   0.354
  553   1HD2  ASN  89          1HD2      ASN  89   5.790  -4.934   0.486
  554   2HD2  ASN  89          2HD2      ASN  89   7.120  -3.967  -0.032
  555    H    SER  90           HN       SER  90   5.723  -6.607  -0.513
  556    HA   SER  90           HA       SER  90   6.748  -6.384  -3.189
  557   1HB   SER  90           HB2      SER  90   8.407  -6.451  -1.501
  558   2HB   SER  90           HB1      SER  90   7.663  -7.841  -0.712
  559    HG   SER  90           HG       SER  90   8.542  -9.154  -2.150
  560    H    CYS  91           HN       CYS  91   4.627  -8.483  -1.554
  561    HA   CYS  91           HA       CYS  91   5.080 -10.711  -3.368
  562   1HB   CYS  91           HB2      CYS  91   3.402 -10.321  -0.905
  563   2HB   CYS  91           HB1      CYS  91   3.137 -11.696  -1.972
  564    H    LYS  92           HN       LYS  92   4.222  -8.379  -4.623
  565    HA   LYS  92           HA       LYS  92   1.410  -8.926  -5.271
  566   1HB   LYS  92           HB2      LYS  92   3.057  -6.459  -5.838
  567   2HB   LYS  92           HB1      LYS  92   1.350  -6.661  -6.205
  568   1HG   LYS  92           HG2      LYS  92   0.756  -6.644  -3.926
  569   2HG   LYS  92           HG1      LYS  92   2.432  -6.851  -3.411
  570   1HD   LYS  92           HD2      LYS  92   1.888  -4.569  -3.050
  571   2HD   LYS  92           HD1      LYS  92   2.918  -4.621  -4.484
  572   1HE   LYS  92           HE2      LYS  92   1.103  -4.261  -5.931
  573   2HE   LYS  92           HE1      LYS  92  -0.079  -4.649  -4.680
  574   1HZ   LYS  92           HZ1      LYS  92   1.710  -2.369  -4.247
  575   2HZ   LYS  92           HZ3      LYS  92   0.430  -2.184  -5.337
  576   3HZ   LYS  92           HZ2      LYS  92   0.117  -2.601  -3.729
  577    H    GLN  93           HN       GLN  93   4.147  -7.529  -7.035
  578    HA   GLN  93           HA       GLN  93   3.912  -9.579  -9.088
  579   1HB   GLN  93           HB2      GLN  93   3.362  -6.658  -9.520
  580   2HB   GLN  93           HB1      GLN  93   3.986  -7.655 -10.827
  581   1HG   GLN  93           HG2      GLN  93   1.408  -8.051  -9.327
  582   2HG   GLN  93           HG1      GLN  93   1.595  -7.502 -10.992
  583   1HE2  GLN  93          1HE2      GLN  93   0.615 -10.020  -9.310
  584   2HE2  GLN  93          2HE2      GLN  93   1.094 -11.323 -10.337
  585    H    GLN  94           HN       GLN  94   5.645  -9.252 -10.790
  586    HA   GLN  94           HA       GLN  94   8.139  -8.671  -9.414
  587   1HB   GLN  94           HB2      GLN  94   8.024  -9.723 -12.213
  588   2HB   GLN  94           HB1      GLN  94   9.218 -10.023 -10.961
  589   1HG   GLN  94           HG2      GLN  94   7.803 -11.536  -9.832
  590   2HG   GLN  94           HG1      GLN  94   6.403 -11.051 -10.787
  591   1HE2  GLN  94          1HE2      GLN  94   9.676 -11.763 -11.888
  592   2HE2  GLN  94          2HE2      GLN  94   9.243 -13.110 -12.880
  593    HA   PRO  95           HA       PRO  95   8.535  -5.720 -13.145
  594   1HB   PRO  95           HB2      PRO  95   6.104  -5.620 -14.667
  595   2HB   PRO  95           HB1      PRO  95   7.670  -6.264 -15.159
  596   1HG   PRO  95           HG2      PRO  95   5.416  -7.795 -14.774
  597   2HG   PRO  95           HG1      PRO  95   7.074  -8.411 -14.674
  598   1HD   PRO  95           HD2      PRO  95   5.217  -7.603 -12.468
  599   2HD   PRO  95           HD1      PRO  95   6.327  -8.988 -12.560
  600    H    GLN  96           HN       GLN  96   7.301  -5.174 -10.610
  601    HA   GLN  96           HA       GLN  96   5.227  -3.227 -10.992
  602   1HB   GLN  96           HB2      GLN  96   6.931  -3.929  -8.598
  603   2HB   GLN  96           HB1      GLN  96   5.637  -2.739  -8.560
  604   1HG   GLN  96           HG2      GLN  96   4.776  -5.280  -9.664
  605   2HG   GLN  96           HG1      GLN  96   5.408  -5.430  -8.026
  606   1HE2  GLN  96          1HE2      GLN  96   2.715  -4.793  -9.840
  607   2HE2  GLN  96          2HE2      GLN  96   1.743  -4.025  -8.636
  608    H    ASN  97           HN       ASN  97   5.727  -1.415 -12.061
  609    HA   ASN  97           HA       ASN  97   6.660   0.612 -12.516
  610   1HB   ASN  97           HB2      ASN  97   6.680   0.815  -9.993
  611   2HB   ASN  97           HB1      ASN  97   8.348   0.252 -10.034
  612   1HD2  ASN  97          1HD2      ASN  97   9.855   1.745 -10.142
  613   2HD2  ASN  97          2HD2      ASN  97   9.640   3.371 -10.684
  614    H    ASN  98           HN       ASN  98   8.139   1.056 -14.025
  615    HA   ASN  98           HA       ASN  98   9.948  -0.761 -15.000
  616   1HB   ASN  98           HB2      ASN  98   9.399   2.071 -15.402
  617   2HB   ASN  98           HB1      ASN  98  11.099   1.684 -15.652
  618   1HD2  ASN  98          1HD2      ASN  98  11.355  -0.472 -16.924
  619   2HD2  ASN  98          2HD2      ASN  98  10.405  -0.574 -18.364
  620    H    ASN  99           HN       ASN  99  12.321  -0.674 -15.090
  621    HA   ASN  99           HA       ASN  99  13.488  -0.908 -12.576
  622   1HB   ASN  99           HB2      ASN  99  14.394  -1.940 -14.632
  623   2HB   ASN  99           HB1      ASN  99  14.884  -0.348 -15.203
  624   1HD2  ASN  99          1HD2      ASN  99  15.499  -2.893 -12.922
  625   2HD2  ASN  99          2HD2      ASN  99  17.056  -2.341 -12.418
  626    H    GLN 100           HN       GLN 100  13.091   0.901 -11.313
  627    HA   GLN 100           HA       GLN 100  13.284   3.039 -10.524
  628   1HB   GLN 100           HB2      GLN 100  15.641   3.847 -10.471
  629   2HB   GLN 100           HB1      GLN 100  15.446   2.188  -9.924
  630   1HG   GLN 100           HG2      GLN 100  16.298   1.337 -11.989
  631   2HG   GLN 100           HG1      GLN 100  16.317   2.951 -12.699
  632   1HE2  GLN 100          1HE2      GLN 100  17.495   4.519 -10.961
  633   2HE2  GLN 100          2HE2      GLN 100  19.090   3.981 -10.571

  No H/Q in entry =         633
  Start of MODEL    2
    1    H1   ALA   1           HT2      ALA   1   3.893   1.980  -9.583
    2    H2   ALA   1           HT1      ALA   1   2.929   2.853 -10.703
    3    H3   ALA   1           HT3      ALA   1   4.635   2.842 -10.868
    4    HA   ALA   1           HA       ALA   1   4.926   4.066  -8.921
    5   1HB   ALA   1           HB2      ALA   1   3.958   5.080 -11.197
    6   2HB   ALA   1           HB1      ALA   1   2.676   5.581 -10.094
    7   3HB   ALA   1           HB3      ALA   1   4.341   6.072  -9.790
    8    H    MET   2           HN       MET   2   3.394   5.813  -7.638
    9    HA   MET   2           HA       MET   2   2.074   4.247  -5.692
   10   1HB   MET   2           HB2      MET   2   2.278   7.218  -6.139
   11   2HB   MET   2           HB1      MET   2   1.375   6.532  -4.795
   12   1HG   MET   2           HG2      MET   2   3.392   6.927  -3.806
   13   2HG   MET   2           HG1      MET   2   3.599   5.255  -4.327
   14   1HE   MET   2           HE3      MET   2   4.785   4.394  -5.907
   15   2HE   MET   2           HE2      MET   2   5.604   5.173  -7.261
   16   3HE   MET   2           HE1      MET   2   6.459   4.926  -5.739
   17    H    ALA   3           HN       ALA   3  -0.149   5.212  -4.864
   18    HA   ALA   3           HA       ALA   3  -2.051   5.515  -7.071
   19   1HB   ALA   3           HB1      ALA   3  -1.603   3.048  -6.249
   20   2HB   ALA   3           HB3      ALA   3  -2.705   3.521  -4.957
   21   3HB   ALA   3           HB2      ALA   3  -3.231   3.597  -6.639
   22    H    CYS   4           HN       CYS   4  -1.143   7.324  -5.003
   23    HA   CYS   4           HA       CYS   4  -2.445   7.688  -2.717
   24   1HB   CYS   4           HB2      CYS   4  -2.705  10.093  -4.403
   25   2HB   CYS   4           HB1      CYS   4  -1.935   9.898  -2.842
   26    H    TRP   5           HN       TRP   5  -4.479   6.686  -2.583
   27    HA   TRP   5           HA       TRP   5  -6.625   7.093  -4.300
   28   1HB   TRP   5           HB2      TRP   5  -8.076   6.472  -2.370
   29   2HB   TRP   5           HB1      TRP   5  -6.733   5.364  -2.623
   30    HD1  TRP   5           HD1      TRP   5  -5.216   4.915  -0.600
   31    HE1  TRP   5           HE1      TRP   5  -5.021   5.859   1.786
   32    HE3  TRP   5           HE3      TRP   5  -8.411   8.840  -1.053
   33    HZ2  TRP   5           HZ2      TRP   5  -6.095   8.004   3.278
   34    HZ3  TRP   5           HZ3      TRP   5  -8.787  10.303   0.892
   35    HH2  TRP   5           HH2      TRP   5  -7.649   9.889   3.016
   36    H    ALA   6           HN       ALA   6  -5.175   9.244  -2.065
   37    HA   ALA   6           HA       ALA   6  -7.442  10.967  -1.730
   38   1HB   ALA   6           HB3      ALA   6  -4.572  11.697  -1.212
   39   2HB   ALA   6           HB2      ALA   6  -6.023  12.349  -0.451
   40   3HB   ALA   6           HB1      ALA   6  -5.510  10.697  -0.103
   41    H    GLN   7           HN       GLN   7  -4.838  10.647  -4.040
   42    HA   GLN   7           HA       GLN   7  -4.815  13.272  -5.045
   43   1HB   GLN   7           HB2      GLN   7  -3.680  12.421  -6.953
   44   2HB   GLN   7           HB1      GLN   7  -3.125  11.506  -5.563
   45   1HG   GLN   7           HG2      GLN   7  -3.848   9.581  -6.408
   46   2HG   GLN   7           HG1      GLN   7  -5.398  10.268  -6.890
   47   1HE2  GLN   7          1HE2      GLN   7  -2.181   9.499  -7.829
   48   2HE2  GLN   7          2HE2      GLN   7  -2.359   9.823  -9.517
   49    H    SER   8           HN       SER   8  -7.112  10.728  -5.407
   50    HA   SER   8           HA       SER   8  -8.299  11.342  -7.840
   51   1HB   SER   8           HB2      SER   8  -8.801   9.508  -5.931
   52   2HB   SER   8           HB1      SER   8 -10.128  10.626  -5.614
   53    HG   SER   8           HG       SER   8  -9.722   8.926  -7.735
   54    H    GLN   9           HN       GLN   9  -8.459  13.020  -4.795
   55    HA   GLN   9           HA       GLN   9 -10.557  14.789  -5.835
   56   1HB   GLN   9           HB2      GLN   9  -9.505  15.076  -3.062
   57   2HB   GLN   9           HB1      GLN   9 -11.134  15.328  -3.673
   58   1HG   GLN   9           HG2      GLN   9 -11.441  13.431  -2.452
   59   2HG   GLN   9           HG1      GLN   9 -11.065  12.731  -4.025
   60   1HE2  GLN   9          1HE2      GLN   9  -9.089  14.110  -1.424
   61   2HE2  GLN   9          2HE2      GLN   9  -8.061  12.736  -1.242
   62    H    GLY  10           HN       GLY  10  -7.216  14.713  -4.778
   63   1HA   GLY  10           HA1      GLY  10  -6.980  17.610  -5.119
   64   2HA   GLY  10           HA2      GLY  10  -6.086  16.594  -6.236
   65    H    TYR  11           HN       TYR  11  -6.434  15.345  -3.051
   66    HA   TYR  11           HA       TYR  11  -4.184  16.618  -1.869
   67   1HB   TYR  11           HB2      TYR  11  -5.879  14.251  -1.200
   68   2HB   TYR  11           HB1      TYR  11  -4.337  14.438  -0.374
   69    HD1  TYR  11           HD1      TYR  11  -3.967  16.318   1.163
   70    HD2  TYR  11           HD2      TYR  11  -7.717  15.754  -0.770
   71    HE1  TYR  11           HE1      TYR  11  -5.014  17.868   2.755
   72    HE2  TYR  11           HE2      TYR  11  -8.772  17.308   0.815
   73    HH   TYR  11           HH       TYR  11  -7.951  18.056   3.483
   74    H    ASN  12           HN       ASN  12  -2.469  14.888  -0.891
   75    HA   ASN  12           HA       ASN  12  -1.418  13.337  -3.161
   76   1HB   ASN  12           HB2      ASN  12  -0.211  15.501  -2.950
   77   2HB   ASN  12           HB1      ASN  12   0.238  15.061  -1.305
   78   1HD2  ASN  12          1HD2      ASN  12   2.019  13.902  -0.995
   79   2HD2  ASN  12          2HD2      ASN  12   2.959  13.164  -2.243
   80    H    CYS  13           HN       CYS  13  -0.663  11.346  -2.665
   81    HA   CYS  13           HA       CYS  13  -1.365  10.079  -0.308
   82   1HB   CYS  13           HB2      CYS  13   0.574   8.431  -1.015
   83   2HB   CYS  13           HB1      CYS  13  -0.905   8.540  -1.954
   84    H    CYS  14           HN       CYS  14  -0.113   9.211   1.419
   85    HA   CYS  14           HA       CYS  14   1.824  11.110   2.440
   86   1HB   CYS  14           HB2      CYS  14   0.462   8.694   3.620
   87   2HB   CYS  14           HB1      CYS  14   1.736   9.554   4.470
   88    H    ASN  15           HN       ASN  15   3.712  10.773   1.247
   89    HA   ASN  15           HA       ASN  15   4.869   8.360   0.552
   90   1HB   ASN  15           HB2      ASN  15   5.704  10.497  -0.277
   91   2HB   ASN  15           HB1      ASN  15   6.213  10.956   1.344
   92   1HD2  ASN  15          1HD2      ASN  15   8.206  10.547   1.907
   93   2HD2  ASN  15          2HD2      ASN  15   9.295   9.479   1.092
   94    H    ASN  16           HN       ASN  16   5.088   6.720   1.914
   95    HA   ASN  16           HA       ASN  16   6.184   5.482   3.538
   96   1HB   ASN  16           HB2      ASN  16   6.734   8.020   5.084
   97   2HB   ASN  16           HB1      ASN  16   7.471   6.439   5.308
   98   1HD2  ASN  16          1HD2      ASN  16   8.036   9.420   4.215
   99   2HD2  ASN  16          2HD2      ASN  16   9.270   9.091   3.053
  100    HA   PRO  17           HA       PRO  17   2.026   6.535   5.518
  101   1HB   PRO  17           HB2      PRO  17   0.758   4.268   4.694
  102   2HB   PRO  17           HB1      PRO  17   0.771   5.769   3.762
  103   1HG   PRO  17           HG2      PRO  17   2.474   3.327   3.443
  104   2HG   PRO  17           HG1      PRO  17   1.680   4.306   2.197
  105   1HD   PRO  17           HD2      PRO  17   4.301   4.558   2.746
  106   2HD   PRO  17           HD1      PRO  17   3.303   5.946   2.269
  107    H    SER  18           HN       SER  18   4.225   3.865   5.502
  108    HA   SER  18           HA       SER  18   3.013   2.408   7.638
  109   1HB   SER  18           HB2      SER  18   4.586   1.441   5.924
  110   2HB   SER  18           HB1      SER  18   5.899   2.278   6.752
  111    HG   SER  18           HG       SER  18   4.710  -0.047   7.385
  112    H    SER  19           HN       SER  19   4.509   5.368   7.641
  113    HA   SER  19           HA       SER  19   5.008   5.173  10.506
  114   1HB   SER  19           HB2      SER  19   7.159   4.889   8.996
  115   2HB   SER  19           HB1      SER  19   7.040   6.645   8.877
  116    HG   SER  19           HG       SER  19   7.221   5.114  11.260
  117    H    THR  20           HN       THR  20   2.965   6.434   8.763
  118    HA   THR  20           HA       THR  20   3.472   9.265   9.314
  119    HB   THR  20           HB       THR  20   1.749   7.796   7.346
  120    HG1  THR  20           HG1      THR  20   3.117   8.658   6.029
  121   1HG2  THR  20          1HG2      THR  20   1.358  10.669   8.124
  122   2HG2  THR  20          3HG2      THR  20   0.648   9.870   6.722
  123   3HG2  THR  20          2HG2      THR  20   0.209   9.352   8.349
  124    H    LYS  21           HN       LYS  21   2.554  10.079  11.082
  125    HA   LYS  21           HA       LYS  21   0.636   8.653  12.614
  126   1HB   LYS  21           HB2      LYS  21   2.164  10.168  13.717
  127   2HB   LYS  21           HB1      LYS  21   1.578  11.522  12.761
  128   1HG   LYS  21           HG2      LYS  21   0.537  11.826  14.805
  129   2HG   LYS  21           HG1      LYS  21  -0.705  11.019  13.846
  130   1HD   LYS  21           HD2      LYS  21  -0.693   9.200  15.155
  131   2HD   LYS  21           HD1      LYS  21   1.067   9.179  15.268
  132   1HE   LYS  21           HE2      LYS  21  -0.645  11.139  16.777
  133   2HE   LYS  21           HE1      LYS  21  -0.199   9.563  17.430
  134   1HZ   LYS  21           HZ2      LYS  21   1.725  11.651  16.556
  135   2HZ   LYS  21           HZ1      LYS  21   1.297  11.336  18.161
  136   3HZ   LYS  21           HZ3      LYS  21   2.118  10.164  17.258
  137    H    VAL  22           HN       VAL  22  -1.425   8.397  12.015
  138    HA   VAL  22           HA       VAL  22  -2.699  10.345  10.302
  139    HB   VAL  22           HB       VAL  22  -3.911   7.809  11.387
  140   1HG1  VAL  22          3HG1      VAL  22  -5.006   9.872   9.946
  141   2HG1  VAL  22          2HG1      VAL  22  -4.617   8.685   8.703
  142   3HG1  VAL  22          1HG1      VAL  22  -5.651   8.235  10.059
  143   1HG2  VAL  22          1HG2      VAL  22  -1.650   7.952   9.730
  144   2HG2  VAL  22          3HG2      VAL  22  -2.637   6.536  10.090
  145   3HG2  VAL  22          2HG2      VAL  22  -3.003   7.529   8.681
  146    H    GLU  23           HN       GLU  23  -3.161  12.080  11.554
  147    HA   GLU  23           HA       GLU  23  -4.479  11.730  14.116
  148   1HB   GLU  23           HB2      GLU  23  -4.560  14.373  13.818
  149   2HB   GLU  23           HB1      GLU  23  -3.102  13.546  14.344
  150   1HG   GLU  23           HG2      GLU  23  -2.037  13.852  12.327
  151   2HG   GLU  23           HG1      GLU  23  -3.547  14.032  11.435
  152    H    TYR  24           HN       TYR  24  -5.445  11.552  11.013
  153    HA   TYR  24           HA       TYR  24  -8.162  12.437  11.731
  154   1HB   TYR  24           HB2      TYR  24  -6.819  14.086  10.220
  155   2HB   TYR  24           HB1      TYR  24  -7.161  12.916   8.951
  156    HD1  TYR  24           HD1      TYR  24  -8.403  15.709  10.777
  157    HD2  TYR  24           HD2      TYR  24  -9.628  12.286   8.567
  158    HE1  TYR  24           HE1      TYR  24 -10.622  16.719  10.452
  159    HE2  TYR  24           HE2      TYR  24 -11.850  13.286   8.236
  160    HH   TYR  24           HH       TYR  24 -12.540  16.379   8.551
  161    H    THR  25           HN       THR  25  -9.867  11.397  10.627
  162    HA   THR  25           HA       THR  25  -9.389   9.368   8.688
  163    HB   THR  25           HB       THR  25 -10.259   8.386  11.408
  164    HG1  THR  25           HG1      THR  25  -8.241   8.098  11.845
  165   1HG2  THR  25          3HG2      THR  25 -10.570   7.246   8.889
  166   2HG2  THR  25          2HG2      THR  25  -9.188   6.418   9.611
  167   3HG2  THR  25          1HG2      THR  25 -10.737   6.449  10.456
  168    H    ASP  26           HN       ASP  26 -11.033   9.926   7.436
  169    HA   ASP  26           HA       ASP  26 -13.697  10.214   8.659
  170   1HB   ASP  26           HB2      ASP  26 -12.296  11.929   6.921
  171   2HB   ASP  26           HB1      ASP  26 -13.554  11.188   5.939
  172    H    ALA  27           HN       ALA  27 -15.116  10.039   6.184
  173    HA   ALA  27           HA       ALA  27 -15.144   7.160   5.902
  174   1HB   ALA  27           HB3      ALA  27 -17.055   7.831   4.231
  175   2HB   ALA  27           HB1      ALA  27 -16.934   9.386   5.053
  176   3HB   ALA  27           HB2      ALA  27 -17.305   7.929   5.975
  177    H    SER  28           HN       SER  28 -13.127   9.270   4.643
  178    HA   SER  28           HA       SER  28 -13.214   8.209   1.908
  179   1HB   SER  28           HB2      SER  28 -11.258  10.074   1.807
  180   2HB   SER  28           HB1      SER  28 -12.959  10.446   1.526
  181    HG   SER  28           HG       SER  28 -11.736  10.578   4.079
  182    H    GLY  29           HN       GLY  29 -11.457   8.202   4.878
  183   1HA   GLY  29           HA1      GLY  29  -9.147   6.892   3.646
  184   2HA   GLY  29           HA2      GLY  29 -10.094   5.985   4.817
  185    H    GLN  30           HN       GLN  30  -7.268   7.214   4.697
  186    HA   GLN  30           HA       GLN  30  -7.393   8.438   7.375
  187   1HB   GLN  30           HB2      GLN  30  -5.661   6.381   6.184
  188   2HB   GLN  30           HB1      GLN  30  -4.798   7.611   7.096
  189   1HG   GLN  30           HG2      GLN  30  -5.227   6.333   8.864
  190   2HG   GLN  30           HG1      GLN  30  -6.854   7.005   8.778
  191   1HE2  GLN  30          1HE2      GLN  30  -5.129   4.573   6.859
  192   2HE2  GLN  30          2HE2      GLN  30  -6.302   3.322   7.072
  193    H    TRP  31           HN       TRP  31  -5.866  10.105   7.878
  194    HA   TRP  31           HA       TRP  31  -4.448  11.342   5.658
  195   1HB   TRP  31           HB2      TRP  31  -6.329  13.031   7.296
  196   2HB   TRP  31           HB1      TRP  31  -5.482  13.467   5.818
  197    HD1  TRP  31           HD1      TRP  31  -8.382  11.183   6.980
  198    HE1  TRP  31           HE1      TRP  31 -10.015  10.914   5.009
  199    HE3  TRP  31           HE3      TRP  31  -5.740  13.690   3.397
  200    HZ2  TRP  31           HZ2      TRP  31 -10.161  11.671   2.287
  201    HZ3  TRP  31           HZ3      TRP  31  -6.692  13.872   1.138
  202    HH2  TRP  31           HH2      TRP  31  -8.856  12.885   0.595
  203    H    GLY  32           HN       GLY  32  -2.849  12.837   6.300
  204   1HA   GLY  32           HA1      GLY  32  -1.355  12.201   8.516
  205   2HA   GLY  32           HA2      GLY  32  -2.407  13.508   9.041
  206    H    VAL  33           HN       VAL  33   0.108  14.145   9.245
  207    HA   VAL  33           HA       VAL  33   0.666  15.800   6.872
  208    HB   VAL  33           HB       VAL  33   1.493  16.364   9.721
  209   1HG1  VAL  33          2HG1      VAL  33   2.922  17.265   7.847
  210   2HG1  VAL  33          1HG1      VAL  33   1.526  18.224   7.354
  211   3HG1  VAL  33          3HG1      VAL  33   2.250  18.471   8.943
  212   1HG2  VAL  33          3HG2      VAL  33  -0.977  16.475   9.310
  213   2HG2  VAL  33          2HG2      VAL  33  -0.245  17.995   9.823
  214   3HG2  VAL  33          1HG2      VAL  33  -0.660  17.744   8.127
  215    H    GLN  34           HN       GLN  34   2.393  15.220   5.747
  216    HA   GLN  34           HA       GLN  34   4.577  13.827   7.147
  217   1HB   GLN  34           HB2      GLN  34   3.222  12.695   5.199
  218   2HB   GLN  34           HB1      GLN  34   4.248  13.695   4.176
  219   1HG   GLN  34           HG2      GLN  34   5.936  12.296   4.396
  220   2HG   GLN  34           HG1      GLN  34   5.842  12.381   6.154
  221   1HE2  GLN  34          1HE2      GLN  34   6.381  10.187   6.296
  222   2HE2  GLN  34          2HE2      GLN  34   5.227   8.946   5.950
  223    H    ASN  35           HN       ASN  35   6.401  14.926   7.350
  224    HA   ASN  35           HA       ASN  35   8.052  16.452   7.019
  225   1HB   ASN  35           HB2      ASN  35   8.453  15.237   4.984
  226   2HB   ASN  35           HB1      ASN  35   7.122  16.052   4.173
  227   1HD2  ASN  35          1HD2      ASN  35   8.064  17.104   2.586
  228   2HD2  ASN  35          2HD2      ASN  35   9.356  18.241   2.757
  229    H    GLY  36           HN       GLY  36   5.153  17.307   7.389
  230   1HA   GLY  36           HA1      GLY  36   5.677  20.140   6.991
  231   2HA   GLY  36           HA2      GLY  36   4.376  19.444   7.943
  232    H    GLN  37           HN       GLN  37   3.317  17.729   5.924
  233    HA   GLN  37           HA       GLN  37   1.778  19.694   4.473
  234   1HB   GLN  37           HB2      GLN  37   2.224  18.796   2.252
  235   2HB   GLN  37           HB1      GLN  37   3.708  19.390   2.984
  236   1HG   GLN  37           HG2      GLN  37   4.659  17.362   3.013
  237   2HG   GLN  37           HG1      GLN  37   3.157  16.547   3.444
  238   1HE2  GLN  37          1HE2      GLN  37   2.459  15.196   1.967
  239   2HE2  GLN  37          2HE2      GLN  37   2.686  15.336   0.261
  240    H    TRP  38           HN       TRP  38  -0.225  18.947   3.829
  241    HA   TRP  38           HA       TRP  38  -1.258  16.695   5.173
  242   1HB   TRP  38           HB2      TRP  38  -2.346  18.470   2.999
  243   2HB   TRP  38           HB1      TRP  38  -3.257  17.084   3.587
  244    HD1  TRP  38           HD1      TRP  38  -3.472  20.525   3.984
  245    HE1  TRP  38           HE1      TRP  38  -4.243  21.266   6.327
  246    HE3  TRP  38           HE3      TRP  38  -2.555  16.196   6.549
  247    HZ2  TRP  38           HZ2      TRP  38  -4.440  20.159   8.916
  248    HZ3  TRP  38           HZ3      TRP  38  -3.064  16.120   8.955
  249    HH2  TRP  38           HH2      TRP  38  -3.987  18.062  10.112
  250    H    CYS  39           HN       CYS  39  -2.208  14.776   4.251
  251    HA   CYS  39           HA       CYS  39  -1.807  13.965   1.594
  252   1HB   CYS  39           HB2      CYS  39   0.007  12.342   1.878
  253   2HB   CYS  39           HB1      CYS  39   0.564  13.978   2.209
  254    H    GLY  40           HN       GLY  40  -2.226  11.613   1.282
  255   1HA   GLY  40           HA1      GLY  40  -4.217  10.291   1.683
  256   2HA   GLY  40           HA2      GLY  40  -4.056  10.665   3.393
  257    H    ILE  41           HN       ILE  41  -3.271   9.082   4.611
  258    HA   ILE  41           HA       ILE  41  -0.988   7.569   3.959
  259    HB   ILE  41           HB       ILE  41  -3.093   7.240   6.079
  260   1HG1  ILE  41          2HG1      ILE  41  -0.708   7.553   7.329
  261   2HG1  ILE  41          1HG1      ILE  41  -0.414   8.450   5.843
  262   1HG2  ILE  41          2HG2      ILE  41  -0.691   5.481   5.623
  263   2HG2  ILE  41          1HG2      ILE  41  -1.650   5.509   7.103
  264   3HG2  ILE  41          3HG2      ILE  41  -2.387   4.995   5.585
  265   1HD1  ILE  41          2HD1      ILE  41  -2.971   9.167   6.859
  266   2HD1  ILE  41          1HD1      ILE  41  -1.775   9.295   8.149
  267   3HD1  ILE  41          3HD1      ILE  41  -1.539  10.170   6.640
  268    H    ASP  42           HN       ASP  42  -0.838   6.119   2.423
  269    HA   ASP  42           HA       ASP  42  -3.002   4.152   2.095
  270   1HB   ASP  42           HB2      ASP  42  -1.595   4.580  -0.390
  271   2HB   ASP  42           HB1      ASP  42  -3.322   4.662  -0.066
  272    H    TYR  43           HN       TYR  43  -2.003   2.437   3.053
  273    HA   TYR  43           HA       TYR  43   0.778   1.876   2.565
  274   1HB   TYR  43           HB2      TYR  43  -0.942  -0.217   3.774
  275   2HB   TYR  43           HB1      TYR  43   0.655   0.347   4.246
  276    HD1  TYR  43           HD1      TYR  43  -2.940   0.812   4.660
  277    HD2  TYR  43           HD2      TYR  43   0.911   2.290   5.702
  278    HE1  TYR  43           HE1      TYR  43  -3.940   2.110   6.493
  279    HE2  TYR  43           HE2      TYR  43  -0.079   3.591   7.536
  280    HH   TYR  43           HH       TYR  43  -2.484   3.199   8.984
  281    H    SER  44           HN       SER  44  -1.868   1.467   0.660
  282    HA   SER  44           HA       SER  44  -0.578  -0.734  -0.770
  283   1HB   SER  44           HB2      SER  44  -3.399  -0.676   0.226
  284   2HB   SER  44           HB1      SER  44  -3.029  -1.504  -1.287
  285    HG   SER  44           HG       SER  44  -1.997  -2.044   1.298
  286    H    TYR  45           HN       TYR  45  -0.268   1.818  -1.543
  287    HA   TYR  45           HA       TYR  45  -2.228   2.206  -3.687
  288   1HB   TYR  45           HB2      TYR  45  -1.488   4.486  -3.809
  289   2HB   TYR  45           HB1      TYR  45  -1.810   4.103  -2.135
  290    HD1  TYR  45           HD1      TYR  45   1.116   2.461  -2.569
  291    HD2  TYR  45           HD2      TYR  45  -0.341   6.454  -2.539
  292    HE1  TYR  45           HE1      TYR  45   3.334   3.255  -1.991
  293    HE2  TYR  45           HE2      TYR  45   1.899   7.266  -1.948
  294    HH   TYR  45           HH       TYR  45   3.994   6.179  -0.736
  295    H    GLY  46           HN       GLY  46  -0.264   0.152  -3.808
  296   1HA   GLY  46           HA1      GLY  46   0.667   0.494  -6.428
  297   2HA   GLY  46           HA2      GLY  46   1.179  -0.770  -5.324
  298    H    GLN  47           HN       GLN  47   3.088  -0.561  -4.192
  299    HA   GLN  47           HA       GLN  47   4.764   1.723  -5.013
  300   1HB   GLN  47           HB2      GLN  47   4.070   0.942  -2.408
  301   2HB   GLN  47           HB1      GLN  47   5.729   0.394  -2.624
  302   1HG   GLN  47           HG2      GLN  47   5.113   3.146  -3.512
  303   2HG   GLN  47           HG1      GLN  47   5.093   2.840  -1.775
  304   1HE2  GLN  47          1HE2      GLN  47   6.894   4.543  -2.329
  305   2HE2  GLN  47          2HE2      GLN  47   8.485   3.879  -2.433
  306    H    ASN  48           HN       ASN  48   7.222   0.998  -4.503
  307    HA   ASN  48           HA       ASN  48   7.742  -1.101  -6.376
  308   1HB   ASN  48           HB2      ASN  48   9.751   0.279  -4.591
  309   2HB   ASN  48           HB1      ASN  48  10.056  -0.535  -6.123
  310   1HD2  ASN  48          1HD2      ASN  48   8.886   0.396  -8.019
  311   2HD2  ASN  48          2HD2      ASN  48   8.775   2.118  -8.111
  312    H    GLN  49           HN       GLN  49   9.648  -2.665  -5.706
  313    HA   GLN  49           HA       GLN  49   8.590  -4.255  -3.522
  314   1HB   GLN  49           HB2      GLN  49   8.991  -5.694  -5.244
  315   2HB   GLN  49           HB1      GLN  49  10.317  -4.742  -5.888
  316   1HG   GLN  49           HG2      GLN  49  10.622  -6.310  -3.355
  317   2HG   GLN  49           HG1      GLN  49  10.786  -7.078  -4.927
  318   1HE2  GLN  49          1HE2      GLN  49  11.810  -3.889  -5.148
  319   2HE2  GLN  49          2HE2      GLN  49  13.502  -4.153  -4.945
  320    H    GLY  50           HN       GLY  50  10.560  -1.725  -3.526
  321   1HA   GLY  50           HA1      GLY  50  12.109  -0.918  -2.044
  322   2HA   GLY  50           HA2      GLY  50  12.933  -2.453  -2.277
  323    H    ASN  51           HN       ASN  51   9.735  -2.652  -1.059
  324    HA   ASN  51           HA       ASN  51   8.986  -3.624   0.872
  325   1HB   ASN  51           HB2      ASN  51  11.537  -4.502   0.899
  326   2HB   ASN  51           HB1      ASN  51  11.563  -3.471   2.327
  327   1HD2  ASN  51          1HD2      ASN  51  11.586  -6.465   1.818
  328   2HD2  ASN  51          2HD2      ASN  51  10.378  -7.075   2.892
  329    H    GLU  52           HN       GLU  52   8.279  -1.218   0.614
  330    HA   GLU  52           HA       GLU  52   9.318   0.558   2.640
  331   1HB   GLU  52           HB2      GLU  52   7.041   0.771   0.676
  332   2HB   GLU  52           HB1      GLU  52   7.377   2.014   1.873
  333   1HG   GLU  52           HG2      GLU  52   8.386   2.721  -0.133
  334   2HG   GLU  52           HG1      GLU  52   9.692   2.165   0.912
  335    H    SER  53           HN       SER  53   6.623  -1.619   2.225
  336    HA   SER  53           HA       SER  53   6.061  -1.546   5.040
  337   1HB   SER  53           HB2      SER  53   4.773   0.417   3.936
  338   2HB   SER  53           HB1      SER  53   3.732  -0.842   3.272
  339    HG   SER  53           HG       SER  53   2.974  -0.025   5.285
  340    H    CYS  54           HN       CYS  54   3.908  -2.908   5.390
  341    HA   CYS  54           HA       CYS  54   4.120  -5.273   3.647
  342   1HB   CYS  54           HB2      CYS  54   3.873  -6.684   5.497
  343   2HB   CYS  54           HB1      CYS  54   4.893  -5.398   6.132
  344    H    THR  55           HN       THR  55   2.116  -6.619   3.602
  345    HA   THR  55           HA       THR  55  -0.205  -4.892   3.297
  346    HB   THR  55           HB       THR  55   0.187  -7.800   2.546
  347    HG1  THR  55           HG1      THR  55   0.958  -7.053   0.759
  348   1HG2  THR  55          2HG2      THR  55  -2.209  -6.298   2.765
  349   2HG2  THR  55          1HG2      THR  55  -1.874  -6.576   1.053
  350   3HG2  THR  55          3HG2      THR  55  -1.981  -7.942   2.164
  351    H    GLY  56           HN       GLY  56  -1.961  -4.997   4.602
  352   1HA   GLY  56           HA1      GLY  56  -1.938  -7.079   6.690
  353   2HA   GLY  56           HA2      GLY  56  -3.384  -6.261   6.117
  354    H    ASN  57           HN       ASN  57  -1.283  -3.829   6.179
  355    HA   ASN  57           HA       ASN  57  -1.139  -3.367   9.020
  356   1HB   ASN  57           HB2      ASN  57  -0.537  -0.954   8.125
  357   2HB   ASN  57           HB1      ASN  57   0.621  -2.275   8.016
  358   1HD2  ASN  57          1HD2      ASN  57   1.723  -1.551   6.276
  359   2HD2  ASN  57          2HD2      ASN  57   1.045  -1.422   4.692
  360    H    GLY  58           HN       GLY  58  -3.678  -3.440   7.060
  361   1HA   GLY  58           HA1      GLY  58  -5.369  -1.557   6.873
  362   2HA   GLY  58           HA2      GLY  58  -5.100  -1.377   8.603
  363    H    SER  59           HN       SER  59  -4.729  -4.490   8.495
  364    HA   SER  59           HA       SER  59  -7.443  -5.065   9.247
  365   1HB   SER  59           HB2      SER  59  -7.501  -5.276   6.759
  366   2HB   SER  59           HB1      SER  59  -6.296  -6.557   6.880
  367    HG   SER  59           HG       SER  59  -8.961  -6.545   7.819
  368    H    TYR  60           HN       TYR  60  -4.632  -6.969   8.075
  369    HA   TYR  60           HA       TYR  60  -4.540  -8.255  10.726
  370   1HB   TYR  60           HB2      TYR  60  -3.696 -10.074   8.638
  371   2HB   TYR  60           HB1      TYR  60  -4.900 -10.303   9.899
  372    HD1  TYR  60           HD1      TYR  60  -7.029 -10.811   9.186
  373    HD2  TYR  60           HD2      TYR  60  -4.565  -8.405   6.688
  374    HE1  TYR  60           HE1      TYR  60  -8.809 -10.759   7.490
  375    HE2  TYR  60           HE2      TYR  60  -6.337  -8.347   4.985
  376    HH   TYR  60           HH       TYR  60  -8.717  -8.645   4.791
  377    HA   PRO  61           HA       PRO  61  -0.180  -7.680  10.960
  378   1HB   PRO  61           HB2      PRO  61   0.733 -10.254  11.422
  379   2HB   PRO  61           HB1      PRO  61   0.085  -9.174  12.661
  380   1HG   PRO  61           HG2      PRO  61  -1.299 -11.354  11.136
  381   2HG   PRO  61           HG1      PRO  61  -1.392 -10.965  12.867
  382   1HD   PRO  61           HD2      PRO  61  -3.343 -10.225  11.223
  383   2HD   PRO  61           HD1      PRO  61  -2.778  -9.114  12.494
  384    H    CYS  62           HN       CYS  62   1.919  -8.259   9.981
  385    HA   CYS  62           HA       CYS  62   1.617  -8.795   7.171
  386   1HB   CYS  62           HB2      CYS  62   4.308  -8.695   8.482
  387   2HB   CYS  62           HB1      CYS  62   3.812  -8.082   6.910
  388    H    CYS  63           HN       CYS  63   2.833 -10.472   6.026
  389    HA   CYS  63           HA       CYS  63   2.791 -12.959   7.546
  390   1HB   CYS  63           HB2      CYS  63   2.214 -12.201   4.816
  391   2HB   CYS  63           HB1      CYS  63   3.365 -13.529   4.857
  392    H    ASN  64           HN       ASN  64   4.804 -11.871   4.864
  393    HA   ASN  64           HA       ASN  64   7.175 -11.372   5.189
  394   1HB   ASN  64           HB2      ASN  64   7.297 -12.309   7.472
  395   2HB   ASN  64           HB1      ASN  64   7.152 -13.934   6.807
  396   1HD2  ASN  64          1HD2      ASN  64   8.900 -14.888   5.852
  397   2HD2  ASN  64          2HD2      ASN  64  10.489 -14.212   5.894
  398    H    THR  65           HN       THR  65   5.294 -14.107   4.322
  399    HA   THR  65           HA       THR  65   7.315 -15.270   2.609
  400    HB   THR  65           HB       THR  65   5.616 -16.651   3.818
  401    HG1  THR  65           HG1      THR  65   6.171 -17.914   2.249
  402   1HG2  THR  65          2HG2      THR  65   3.717 -14.988   3.302
  403   2HG2  THR  65          1HG2      THR  65   3.611 -15.833   1.757
  404   3HG2  THR  65          3HG2      THR  65   3.372 -16.719   3.263
  405    H    CYS  66           HN       CYS  66   7.320 -15.224   0.367
  406    HA   CYS  66           HA       CYS  66   5.760 -13.048  -0.812
  407   1HB   CYS  66           HB2      CYS  66   8.040 -14.586  -2.071
  408   2HB   CYS  66           HB1      CYS  66   7.338 -13.074  -2.638
  409    H    GLN  67           HN       GLN  67   4.490 -15.480  -0.135
  410    HA   GLN  67           HA       GLN  67   3.768 -16.506  -2.795
  411   1HB   GLN  67           HB2      GLN  67   4.621 -18.413  -1.840
  412   2HB   GLN  67           HB1      GLN  67   4.267 -17.885  -0.205
  413   1HG   GLN  67           HG2      GLN  67   1.840 -18.400  -1.692
  414   2HG   GLN  67           HG1      GLN  67   2.912 -19.797  -1.690
  415   1HE2  GLN  67          1HE2      GLN  67   2.645 -17.370   0.843
  416   2HE2  GLN  67          2HE2      GLN  67   2.031 -18.437   2.055
  417    H    ALA  68           HN       ALA  68   2.122 -15.045  -3.125
  418    HA   ALA  68           HA       ALA  68   0.080 -14.641  -1.136
  419   1HB   ALA  68           HB2      ALA  68   0.362 -12.692  -2.265
  420   2HB   ALA  68           HB3      ALA  68  -0.949 -13.387  -3.220
  421   3HB   ALA  68           HB1      ALA  68   0.716 -13.494  -3.796
  422    H    THR  69           HN       THR  69  -1.356 -16.154  -0.815
  423    HA   THR  69           HA       THR  69  -2.162 -17.933  -2.959
  424    HB   THR  69           HB       THR  69  -2.054 -19.283  -1.147
  425    HG1  THR  69           HG1      THR  69  -4.093 -19.502  -0.132
  426   1HG2  THR  69          1HG2      THR  69  -2.851 -16.997   0.633
  427   2HG2  THR  69          3HG2      THR  69  -2.433 -18.625   1.169
  428   3HG2  THR  69          2HG2      THR  69  -1.214 -17.613   0.387
  429    H    TYR  70           HN       TYR  70  -3.323 -15.090  -1.387
  430    HA   TYR  70           HA       TYR  70  -5.600 -15.061  -3.167
  431   1HB   TYR  70           HB2      TYR  70  -7.296 -15.203  -1.649
  432   2HB   TYR  70           HB1      TYR  70  -6.114 -16.179  -0.789
  433    HD1  TYR  70           HD1      TYR  70  -7.269 -12.636  -1.071
  434    HD2  TYR  70           HD2      TYR  70  -5.650 -15.677   1.428
  435    HE1  TYR  70           HE1      TYR  70  -7.473 -11.144   0.865
  436    HE2  TYR  70           HE2      TYR  70  -5.846 -14.187   3.374
  437    HH   TYR  70           HH       TYR  70  -5.956 -11.267   3.455
  438    H    THR  71           HN       THR  71  -6.202 -13.030  -3.733
  439    HA   THR  71           HA       THR  71  -4.837 -10.812  -2.355
  440    HB   THR  71           HB       THR  71  -5.426 -11.170  -5.294
  441    HG1  THR  71           HG1      THR  71  -2.923 -10.415  -4.448
  442   1HG2  THR  71          2HG2      THR  71  -5.877  -8.826  -4.516
  443   2HG2  THR  71          1HG2      THR  71  -4.176  -8.737  -4.052
  444   3HG2  THR  71          3HG2      THR  71  -4.617  -8.994  -5.741
  445    H    ASP  72           HN       ASP  72  -6.034  -9.103  -1.751
  446    HA   ASP  72           HA       ASP  72  -8.895  -9.191  -2.420
  447   1HB   ASP  72           HB2      ASP  72  -7.765  -9.345   0.082
  448   2HB   ASP  72           HB1      ASP  72  -8.151  -7.632  -0.046
  449    H    GLY  73           HN       GLY  73  -9.635  -6.713  -1.455
  450   1HA   GLY  73           HA1      GLY  73  -9.935  -4.615  -2.364
  451   2HA   GLY  73           HA2      GLY  73  -8.796  -5.046  -3.629
  452    H    ASP  74           HN       ASP  74  -7.003  -5.756  -1.058
  453    HA   ASP  74           HA       ASP  74  -5.937  -3.018  -0.915
  454   1HB   ASP  74           HB2      ASP  74  -7.186  -3.540   1.162
  455   2HB   ASP  74           HB1      ASP  74  -6.125  -4.918   1.427
  456    H    GLY  75           HN       GLY  75  -5.291  -5.802  -2.212
  457   1HA   GLY  75           HA1      GLY  75  -2.468  -5.843  -1.345
  458   2HA   GLY  75           HA2      GLY  75  -2.933  -5.922  -3.038
  459    H    ASP  76           HN       ASP  76  -1.332  -7.860  -2.217
  460    HA   ASP  76           HA       ASP  76  -2.973 -10.205  -2.517
  461   1HB   ASP  76           HB2      ASP  76  -0.040 -10.380  -1.950
  462   2HB   ASP  76           HB1      ASP  76  -1.031 -11.341  -3.041
  463    H    TRP  77           HN       TRP  77  -2.384 -12.183  -1.126
  464    HA   TRP  77           HA       TRP  77  -1.733 -11.588   1.624
  465   1HB   TRP  77           HB2      TRP  77  -4.488 -12.627   0.945
  466   2HB   TRP  77           HB1      TRP  77  -3.852 -12.310   2.557
  467    HD1  TRP  77           HD1      TRP  77  -5.337 -10.538  -0.478
  468    HE1  TRP  77           HE1      TRP  77  -5.847  -8.101   0.150
  469    HE3  TRP  77           HE3      TRP  77  -3.061 -10.382   4.099
  470    HZ2  TRP  77           HZ2      TRP  77  -5.353  -6.348   2.290
  471    HZ3  TRP  77           HZ3      TRP  77  -3.125  -8.276   5.370
  472    HH2  TRP  77           HH2      TRP  77  -4.250  -6.299   4.478
  473    H    ALA  78           HN       ALA  78  -1.313 -13.398   2.887
  474    HA   ALA  78           HA       ALA  78  -1.560 -16.021   1.660
  475   1HB   ALA  78           HB3      ALA  78   1.115 -15.055   2.635
  476   2HB   ALA  78           HB2      ALA  78   0.747 -16.577   1.823
  477   3HB   ALA  78           HB1      ALA  78   0.629 -15.056   0.938
  478    H    PHE  79           HN       PHE  79  -0.875 -17.771   3.190
  479    HA   PHE  79           HA       PHE  79  -1.670 -17.018   5.914
  480   1HB   PHE  79           HB2      PHE  79  -2.900 -18.824   4.510
  481   2HB   PHE  79           HB1      PHE  79  -1.518 -19.844   4.898
  482    HD1  PHE  79           HD1      PHE  79  -2.260 -21.422   6.407
  483    HD2  PHE  79           HD2      PHE  79  -3.348 -17.346   6.964
  484    HE1  PHE  79           HE1      PHE  79  -3.291 -21.995   8.566
  485    HE2  PHE  79           HE2      PHE  79  -4.380 -17.912   9.125
  486    HZ   PHE  79           HZ       PHE  79  -4.352 -20.239   9.928
  487    H    GLU  80           HN       GLU  80   0.065 -16.586   7.126
  488    HA   GLU  80           HA       GLU  80   2.314 -18.487   7.034
  489   1HB   GLU  80           HB2      GLU  80   2.869 -16.218   6.149
  490   2HB   GLU  80           HB1      GLU  80   2.481 -15.555   7.730
  491   1HG   GLU  80           HG2      GLU  80   4.290 -17.657   8.154
  492   2HG   GLU  80           HG1      GLU  80   4.913 -16.700   6.807
  493    H    ASN  81           HN       ASN  81   3.231 -19.126   8.977
  494    HA   ASN  81           HA       ASN  81   3.124 -19.835  11.143
  495   1HB   ASN  81           HB2      ASN  81   3.192 -16.940  11.113
  496   2HB   ASN  81           HB1      ASN  81   2.358 -17.531  12.548
  497   1HD2  ASN  81          1HD2      ASN  81   5.152 -16.391  11.747
  498   2HD2  ASN  81          2HD2      ASN  81   6.230 -17.379  12.665
  499    H    GLY  82           HN       GLY  82   0.624 -19.903   9.548
  500   1HA   GLY  82           HA1      GLY  82  -1.127 -20.706  11.643
  501   2HA   GLY  82           HA2      GLY  82  -1.509 -20.663   9.929
  502    H    ASN  83           HN       ASN  83  -0.708 -17.714   9.913
  503    HA   ASN  83           HA       ASN  83  -3.284 -16.760  10.975
  504   1HB   ASN  83           HB2      ASN  83  -2.180 -14.636  11.652
  505   2HB   ASN  83           HB1      ASN  83  -1.621 -16.033  12.566
  506   1HD2  ASN  83          1HD2      ASN  83   0.483 -16.581  12.510
  507   2HD2  ASN  83          2HD2      ASN  83   1.688 -15.727  11.614
  508    H    TRP  84           HN       TRP  84  -4.423 -15.440   9.683
  509    HA   TRP  84           HA       TRP  84  -3.681 -15.200   6.947
  510   1HB   TRP  84           HB2      TRP  84  -5.945 -13.974   8.531
  511   2HB   TRP  84           HB1      TRP  84  -5.771 -13.809   6.787
  512    HD1  TRP  84           HD1      TRP  84  -7.184 -16.069   9.385
  513    HE1  TRP  84           HE1      TRP  84  -8.102 -18.211   8.291
  514    HE3  TRP  84           HE3      TRP  84  -5.174 -15.523   4.717
  515    HZ2  TRP  84           HZ2      TRP  84  -7.990 -19.497   5.780
  516    HZ3  TRP  84           HZ3      TRP  84  -5.627 -17.253   3.027
  517    HH2  TRP  84           HH2      TRP  84  -7.005 -19.199   3.550
  518    H    CYS  85           HN       CYS  85  -1.843 -14.022   6.715
  519    HA   CYS  85           HA       CYS  85  -1.936 -11.202   7.551
  520   1HB   CYS  85           HB2      CYS  85   0.669 -11.575   6.940
  521   2HB   CYS  85           HB1      CYS  85   0.005 -11.778   8.556
  522    H    GLY  86           HN       GLY  86  -0.309  -9.891   6.051
  523   1HA   GLY  86           HA1      GLY  86  -0.828  -8.815   3.947
  524   2HA   GLY  86           HA2      GLY  86  -1.230 -10.397   3.296
  525    H    ILE  87           HN       ILE  87   0.202  -9.904   1.536
  526    HA   ILE  87           HA       ILE  87   2.872 -10.850   2.041
  527    HB   ILE  87           HB       ILE  87   1.119 -10.649  -0.245
  528   1HG1  ILE  87          2HG1      ILE  87   2.364 -12.538  -1.015
  529   2HG1  ILE  87          1HG1      ILE  87   3.740 -12.126   0.001
  530   1HG2  ILE  87          2HG2      ILE  87   3.937  -9.676  -0.657
  531   2HG2  ILE  87          1HG2      ILE  87   2.908 -10.284  -1.952
  532   3HG2  ILE  87          3HG2      ILE  87   2.438  -8.838  -1.057
  533   1HD1  ILE  87          3HD1      ILE  87   1.046 -12.939   1.055
  534   2HD1  ILE  87          2HD1      ILE  87   2.401 -14.041   0.808
  535   3HD1  ILE  87          1HD1      ILE  87   2.536 -12.726   1.973
  536    H    LYS  88           HN       LYS  88   4.732  -9.732   2.060
  537    HA   LYS  88           HA       LYS  88   4.749  -6.982   2.586
  538   1HB   LYS  88           HB2      LYS  88   7.044  -8.704   1.638
  539   2HB   LYS  88           HB1      LYS  88   7.184  -7.143   2.433
  540   1HG   LYS  88           HG2      LYS  88   6.121  -9.693   3.626
  541   2HG   LYS  88           HG1      LYS  88   7.637  -8.879   4.020
  542   1HD   LYS  88           HD2      LYS  88   5.835  -6.887   4.440
  543   2HD   LYS  88           HD1      LYS  88   4.895  -8.305   4.905
  544   1HE   LYS  88           HE2      LYS  88   7.493  -7.320   6.047
  545   2HE   LYS  88           HE1      LYS  88   5.960  -7.586   6.876
  546   1HZ   LYS  88           HZ2      LYS  88   6.269 -10.004   6.316
  547   2HZ   LYS  88           HZ1      LYS  88   7.853  -9.625   5.862
  548   3HZ   LYS  88           HZ3      LYS  88   7.347  -9.374   7.457
  549    H    ASN  89           HN       ASN  89   5.339  -5.198   1.388
  550    HA   ASN  89           HA       ASN  89   4.532  -5.066  -1.275
  551   1HB   ASN  89           HB2      ASN  89   5.878  -3.286   0.639
  552   2HB   ASN  89           HB1      ASN  89   6.263  -2.946  -1.045
  553   1HD2  ASN  89          1HD2      ASN  89   4.965  -1.083   0.400
  554   2HD2  ASN  89          2HD2      ASN  89   3.321  -0.951  -0.117
  555    H    SER  90           HN       SER  90   7.520  -6.080   0.094
  556    HA   SER  90           HA       SER  90   9.111  -5.676  -2.265
  557   1HB   SER  90           HB2      SER  90  10.360  -5.596  -0.287
  558   2HB   SER  90           HB1      SER  90   9.542  -7.001   0.397
  559    HG   SER  90           HG       SER  90  10.890  -8.280  -0.613
  560    H    CYS  91           HN       CYS  91   7.006  -8.130  -1.092
  561    HA   CYS  91           HA       CYS  91   8.150 -10.200  -2.778
  562   1HB   CYS  91           HB2      CYS  91   5.785 -10.195  -0.901
  563   2HB   CYS  91           HB1      CYS  91   6.286 -11.591  -1.842
  564    H    LYS  92           HN       LYS  92   7.447  -8.232  -4.421
  565    HA   LYS  92           HA       LYS  92   4.835  -8.999  -5.529
  566   1HB   LYS  92           HB2      LYS  92   6.439  -6.488  -6.022
  567   2HB   LYS  92           HB1      LYS  92   4.855  -6.844  -6.697
  568   1HG   LYS  92           HG2      LYS  92   3.831  -6.737  -4.548
  569   2HG   LYS  92           HG1      LYS  92   5.400  -6.641  -3.746
  570   1HD   LYS  92           HD2      LYS  92   4.613  -4.434  -3.759
  571   2HD   LYS  92           HD1      LYS  92   5.754  -4.499  -5.103
  572   1HE   LYS  92           HE2      LYS  92   4.086  -4.432  -6.697
  573   2HE   LYS  92           HE1      LYS  92   2.865  -5.063  -5.593
  574   1HZ   LYS  92           HZ3      LYS  92   4.055  -2.440  -5.032
  575   2HZ   LYS  92           HZ2      LYS  92   2.891  -2.555  -6.254
  576   3HZ   LYS  92           HZ1      LYS  92   2.505  -3.017  -4.672
  577    H    GLN  93           HN       GLN  93   8.046  -7.937  -6.609
  578    HA   GLN  93           HA       GLN  93   8.136 -10.082  -8.544
  579   1HB   GLN  93           HB2      GLN  93   8.033  -7.187  -9.390
  580   2HB   GLN  93           HB1      GLN  93   8.652  -8.463 -10.426
  581   1HG   GLN  93           HG2      GLN  93   5.871  -8.371  -9.282
  582   2HG   GLN  93           HG1      GLN  93   6.317  -7.865 -10.910
  583   1HE2  GLN  93          1HE2      GLN  93   4.515  -9.592 -11.120
  584   2HE2  GLN  93          2HE2      GLN  93   5.074 -11.200 -11.413
  585    H    GLN  94           HN       GLN  94  10.059  -7.385  -9.395
  586    HA   GLN  94           HA       GLN  94  12.200  -7.855  -7.575
  587   1HB   GLN  94           HB2      GLN  94  12.385  -8.962 -10.367
  588   2HB   GLN  94           HB1      GLN  94  13.813  -8.568  -9.423
  589   1HG   GLN  94           HG2      GLN  94  12.610 -10.092  -7.644
  590   2HG   GLN  94           HG1      GLN  94  11.837 -10.744  -9.088
  591   1HE2  GLN  94          1HE2      GLN  94  12.924 -12.151 -10.316
  592   2HE2  GLN  94          2HE2      GLN  94  14.575 -12.603 -10.082
  593    HA   PRO  95           HA       PRO  95  13.663  -4.596 -10.884
  594   1HB   PRO  95           HB2      PRO  95  11.867  -4.079 -12.882
  595   2HB   PRO  95           HB1      PRO  95  13.168  -5.268 -13.024
  596   1HG   PRO  95           HG2      PRO  95  10.294  -5.709 -12.261
  597   2HG   PRO  95           HG1      PRO  95  11.274  -6.595 -13.447
  598   1HD   PRO  95           HD2      PRO  95  10.880  -7.594 -11.043
  599   2HD   PRO  95           HD1      PRO  95  12.489  -7.686 -11.793
  600    H    GLN  96           HN       GLN  96  12.539  -3.968  -8.591
  601    HA   GLN  96           HA       GLN  96  11.177  -1.491  -9.140
  602   1HB   GLN  96           HB2      GLN  96   9.801  -3.676  -7.570
  603   2HB   GLN  96           HB1      GLN  96   9.285  -1.995  -7.582
  604   1HG   GLN  96           HG2      GLN  96   8.978  -2.167 -10.038
  605   2HG   GLN  96           HG1      GLN  96   9.354  -3.885  -9.922
  606   1HE2  GLN  96          1HE2      GLN  96   8.016  -4.955  -8.060
  607   2HE2  GLN  96          2HE2      GLN  96   6.320  -4.629  -8.120
  608    H    ASN  97           HN       ASN  97  13.269  -0.885  -8.229
  609    HA   ASN  97           HA       ASN  97  14.568  -0.068  -6.551
  610   1HB   ASN  97           HB2      ASN  97  12.064   0.635  -5.878
  611   2HB   ASN  97           HB1      ASN  97  12.449  -0.384  -4.495
  612   1HD2  ASN  97          1HD2      ASN  97  14.978   0.092  -3.925
  613   2HD2  ASN  97          2HD2      ASN  97  15.252   1.760  -3.567
  614    H    ASN  98           HN       ASN  98  15.820  -2.031  -6.657
  615    HA   ASN  98           HA       ASN  98  15.380  -3.847  -4.381
  616   1HB   ASN  98           HB2      ASN  98  15.424  -4.773  -6.766
  617   2HB   ASN  98           HB1      ASN  98  17.148  -4.414  -6.756
  618   1HD2  ASN  98          1HD2      ASN  98  18.522  -5.618  -5.480
  619   2HD2  ASN  98          2HD2      ASN  98  18.042  -7.105  -4.742
  620    H    ASN  99           HN       ASN  99  16.876  -4.017  -2.817
  621    HA   ASN  99           HA       ASN  99  19.622  -3.523  -3.097
  622   1HB   ASN  99           HB2      ASN  99  18.515  -1.156  -3.291
  623   2HB   ASN  99           HB1      ASN  99  18.363  -1.291  -1.541
  624   1HD2  ASN  99          1HD2      ASN  99  20.263  -1.480  -0.284
  625   2HD2  ASN  99          2HD2      ASN  99  21.781  -0.914  -0.882
  626    H    GLN 100           HN       GLN 100  20.443  -4.810  -1.595
  627    HA   GLN 100           HA       GLN 100  19.329  -4.749   1.111
  628   1HB   GLN 100           HB2      GLN 100  18.285  -6.658  -0.046
  629   2HB   GLN 100           HB1      GLN 100  19.879  -7.294  -0.427
  630   1HG   GLN 100           HG2      GLN 100  19.656  -8.489   1.434
  631   2HG   GLN 100           HG1      GLN 100  20.016  -6.987   2.284
  632   1HE2  GLN 100          1HE2      GLN 100  17.683  -5.593   1.898
  633   2HE2  GLN 100          2HE2      GLN 100  16.391  -6.390   2.722

  No H/Q in entry =         633
  Start of MODEL    3
    1    H1   ALA   1           HT3      ALA   1   5.924   6.808  -8.575
    2    H2   ALA   1           HT2      ALA   1   6.536   5.391  -7.827
    3    H3   ALA   1           HT1      ALA   1   4.861   5.525  -8.175
    4    HA   ALA   1           HA       ALA   1   5.221   5.858  -5.882
    5   1HB   ALA   1           HB1      ALA   1   6.841   7.166  -4.990
    6   2HB   ALA   1           HB2      ALA   1   6.769   8.343  -6.301
    7   3HB   ALA   1           HB3      ALA   1   7.629   6.820  -6.529
    8    H    MET   2           HN       MET   2   3.155   6.347  -7.505
    9    HA   MET   2           HA       MET   2   1.893   8.571  -6.288
   10   1HB   MET   2           HB2      MET   2   3.450   9.401  -8.331
   11   2HB   MET   2           HB1      MET   2   1.959   9.066  -9.202
   12   1HG   MET   2           HG2      MET   2   0.901  10.833  -8.331
   13   2HG   MET   2           HG1      MET   2   1.600  10.592  -6.731
   14   1HE   MET   2           HE2      MET   2   3.700  11.131  -6.000
   15   2HE   MET   2           HE1      MET   2   5.017  11.255  -7.166
   16   3HE   MET   2           HE3      MET   2   4.428  12.700  -6.346
   17    H    ALA   3           HN       ALA   3   0.346   6.962  -5.835
   18    HA   ALA   3           HA       ALA   3  -1.680   6.710  -7.857
   19   1HB   ALA   3           HB3      ALA   3  -1.599   4.507  -8.351
   20   2HB   ALA   3           HB2      ALA   3   0.111   4.736  -8.000
   21   3HB   ALA   3           HB1      ALA   3  -0.958   4.057  -6.772
   22    H    CYS   4           HN       CYS   4  -1.392   7.870  -5.218
   23    HA   CYS   4           HA       CYS   4  -2.790   6.257  -3.321
   24   1HB   CYS   4           HB2      CYS   4  -2.983   8.442  -2.059
   25   2HB   CYS   4           HB1      CYS   4  -1.345   7.925  -2.438
   26    H    TRP   5           HN       TRP   5  -4.863   6.815  -2.377
   27    HA   TRP   5           HA       TRP   5  -6.827   7.362  -4.438
   28   1HB   TRP   5           HB2      TRP   5  -8.449   6.824  -2.539
   29   2HB   TRP   5           HB1      TRP   5  -7.383   5.520  -3.054
   30    HD1  TRP   5           HD1      TRP   5  -5.680   4.584  -1.298
   31    HE1  TRP   5           HE1      TRP   5  -5.302   4.991   1.217
   32    HE3  TRP   5           HE3      TRP   5  -8.589   8.710  -0.740
   33    HZ2  TRP   5           HZ2      TRP   5  -6.150   6.847   3.182
   34    HZ3  TRP   5           HZ3      TRP   5  -8.767   9.755   1.480
   35    HH2  TRP   5           HH2      TRP   5  -7.570   8.842   3.400
   36    H    ALA   6           HN       ALA   6  -5.367   8.952  -1.732
   37    HA   ALA   6           HA       ALA   6  -7.331  10.885  -1.172
   38   1HB   ALA   6           HB2      ALA   6  -4.399  10.656  -0.694
   39   2HB   ALA   6           HB1      ALA   6  -5.190  12.211  -0.425
   40   3HB   ALA   6           HB3      ALA   6  -5.725  10.783   0.462
   41    H    GLN   7           HN       GLN   7  -4.897  10.667  -3.668
   42    HA   GLN   7           HA       GLN   7  -4.948  13.392  -4.457
   43   1HB   GLN   7           HB2      GLN   7  -3.796  12.633  -6.473
   44   2HB   GLN   7           HB1      GLN   7  -3.094  11.900  -5.039
   45   1HG   GLN   7           HG2      GLN   7  -3.381   9.898  -5.920
   46   2HG   GLN   7           HG1      GLN   7  -5.123  10.167  -5.967
   47   1HE2  GLN   7          1HE2      GLN   7  -2.138  10.747  -7.760
   48   2HE2  GLN   7          2HE2      GLN   7  -2.858  10.695  -9.330
   49    H    SER   8           HN       SER   8  -7.018  10.691  -5.086
   50    HA   SER   8           HA       SER   8  -8.182  11.373  -7.501
   51   1HB   SER   8           HB2      SER   8  -9.584  10.200  -5.087
   52   2HB   SER   8           HB1      SER   8 -10.142  10.108  -6.757
   53    HG   SER   8           HG       SER   8  -7.819   8.931  -5.636
   54    H    GLN   9           HN       GLN   9  -8.489  12.899  -4.409
   55    HA   GLN   9           HA       GLN   9 -10.752  14.514  -5.329
   56   1HB   GLN   9           HB2      GLN   9  -9.470  14.568  -2.598
   57   2HB   GLN   9           HB1      GLN   9 -11.050  15.186  -3.057
   58   1HG   GLN   9           HG2      GLN   9 -11.395  12.631  -3.731
   59   2HG   GLN   9           HG1      GLN   9 -10.189  12.424  -2.462
   60   1HE2  GLN   9          1HE2      GLN   9 -10.832  12.474  -0.411
   61   2HE2  GLN   9          2HE2      GLN   9 -12.411  12.921   0.131
   62    H    GLY  10           HN       GLY  10  -7.350  14.698  -4.573
   63   1HA   GLY  10           HA1      GLY  10  -7.382  17.618  -4.815
   64   2HA   GLY  10           HA2      GLY  10  -6.499  16.708  -6.031
   65    H    TYR  11           HN       TYR  11  -6.520  15.387  -2.855
   66    HA   TYR  11           HA       TYR  11  -4.311  16.782  -1.771
   67   1HB   TYR  11           HB2      TYR  11  -5.656  14.171  -1.153
   68   2HB   TYR  11           HB1      TYR  11  -4.154  14.598  -0.344
   69    HD1  TYR  11           HD1      TYR  11  -4.076  16.669   1.078
   70    HD2  TYR  11           HD2      TYR  11  -7.715  15.135  -0.506
   71    HE1  TYR  11           HE1      TYR  11  -5.340  17.984   2.724
   72    HE2  TYR  11           HE2      TYR  11  -8.990  16.449   1.133
   73    HH   TYR  11           HH       TYR  11  -8.094  17.508   3.739
   74    H    ASN  12           HN       ASN  12  -2.421  15.077  -0.975
   75    HA   ASN  12           HA       ASN  12  -1.329  13.902  -3.445
   76   1HB   ASN  12           HB2      ASN  12  -0.240  16.074  -2.845
   77   2HB   ASN  12           HB1      ASN  12   0.272  15.348  -1.324
   78   1HD2  ASN  12          1HD2      ASN  12   2.437  15.502  -1.719
   79   2HD2  ASN  12          2HD2      ASN  12   3.249  14.575  -2.931
   80    H    CYS  13           HN       CYS  13   0.306  12.213  -3.065
   81    HA   CYS  13           HA       CYS  13  -0.585  10.406  -1.029
   82   1HB   CYS  13           HB2      CYS  13   1.901   9.970  -2.650
   83   2HB   CYS  13           HB1      CYS  13   0.731   8.791  -2.070
   84    H    CYS  14           HN       CYS  14   0.514   9.664   0.763
   85    HA   CYS  14           HA       CYS  14   2.643  11.434   1.724
   86   1HB   CYS  14           HB2      CYS  14   0.348  10.331   2.944
   87   2HB   CYS  14           HB1      CYS  14   1.732   9.546   3.694
   88    H    ASN  15           HN       ASN  15   4.622  10.685   2.354
   89    HA   ASN  15           HA       ASN  15   5.447   8.154   1.279
   90   1HB   ASN  15           HB2      ASN  15   7.684   8.817   1.979
   91   2HB   ASN  15           HB1      ASN  15   6.883  10.152   1.157
   92   1HD2  ASN  15          1HD2      ASN  15   8.887   9.534   3.553
   93   2HD2  ASN  15          2HD2      ASN  15   8.482  10.796   4.662
   94    H    ASN  16           HN       ASN  16   6.710   6.592   2.585
   95    HA   ASN  16           HA       ASN  16   6.358   4.901   4.118
   96   1HB   ASN  16           HB2      ASN  16   7.463   5.401   6.201
   97   2HB   ASN  16           HB1      ASN  16   8.310   6.211   4.890
   98   1HD2  ASN  16          1HD2      ASN  16   8.694   8.301   5.079
   99   2HD2  ASN  16          2HD2      ASN  16   8.005   9.349   6.267
  100    HA   PRO  17           HA       PRO  17   2.222   6.679   5.706
  101   1HB   PRO  17           HB2      PRO  17   0.699   4.815   4.368
  102   2HB   PRO  17           HB1      PRO  17   1.038   6.443   3.769
  103   1HG   PRO  17           HG2      PRO  17   2.378   3.855   3.086
  104   2HG   PRO  17           HG1      PRO  17   1.904   5.188   2.016
  105   1HD   PRO  17           HD2      PRO  17   4.445   4.870   2.798
  106   2HD   PRO  17           HD1      PRO  17   3.729   6.486   2.623
  107    H    SER  18           HN       SER  18   3.976   3.745   5.605
  108    HA   SER  18           HA       SER  18   2.240   2.132   7.176
  109   1HB   SER  18           HB2      SER  18   5.220   1.936   6.682
  110   2HB   SER  18           HB1      SER  18   4.255   0.698   7.487
  111    HG   SER  18           HG       SER  18   4.321   1.446   4.799
  112    H    SER  19           HN       SER  19   4.118   4.825   7.958
  113    HA   SER  19           HA       SER  19   3.823   4.217  10.808
  114   1HB   SER  19           HB2      SER  19   6.262   3.955   9.682
  115   2HB   SER  19           HB1      SER  19   6.295   5.675  10.067
  116    HG   SER  19           HG       SER  19   7.026   4.111  11.740
  117    H    THR  20           HN       THR  20   2.824   6.114   8.481
  118    HA   THR  20           HA       THR  20   3.370   8.729   9.454
  119    HB   THR  20           HB       THR  20   1.422   7.573   7.467
  120    HG1  THR  20           HG1      THR  20   3.544   7.698   6.764
  121   1HG2  THR  20          2HG2      THR  20   0.361   9.529   8.412
  122   2HG2  THR  20          1HG2      THR  20   1.810  10.480   8.095
  123   3HG2  THR  20          3HG2      THR  20   0.881   9.816   6.753
  124    H    LYS  21           HN       LYS  21   2.400   9.767  11.077
  125    HA   LYS  21           HA       LYS  21   0.330   8.523  12.598
  126   1HB   LYS  21           HB2      LYS  21   2.055   9.942  13.639
  127   2HB   LYS  21           HB1      LYS  21   1.433  11.336  12.765
  128   1HG   LYS  21           HG2      LYS  21  -0.442   9.811  14.494
  129   2HG   LYS  21           HG1      LYS  21   0.758  10.854  15.262
  130   1HD   LYS  21           HD2      LYS  21  -0.143  12.539  13.387
  131   2HD   LYS  21           HD1      LYS  21  -1.591  11.555  13.602
  132   1HE   LYS  21           HE2      LYS  21  -2.077  12.783  15.390
  133   2HE   LYS  21           HE1      LYS  21  -0.665  12.089  16.185
  134   1HZ   LYS  21           HZ2      LYS  21  -0.630  14.539  14.506
  135   2HZ   LYS  21           HZ1      LYS  21  -0.656  14.525  16.197
  136   3HZ   LYS  21           HZ3      LYS  21   0.676  13.895  15.367
  137    H    VAL  22           HN       VAL  22  -1.731   8.473  11.959
  138    HA   VAL  22           HA       VAL  22  -2.767  10.506  10.189
  139    HB   VAL  22           HB       VAL  22  -3.868   7.879  11.182
  140   1HG1  VAL  22          2HG1      VAL  22  -5.293  10.172  10.079
  141   2HG1  VAL  22          1HG1      VAL  22  -5.571   8.676   9.192
  142   3HG1  VAL  22          3HG1      VAL  22  -5.909   8.751  10.920
  143   1HG2  VAL  22          2HG2      VAL  22  -2.094   8.187   9.279
  144   2HG2  VAL  22          1HG2      VAL  22  -3.420   7.039   9.097
  145   3HG2  VAL  22          3HG2      VAL  22  -3.510   8.621   8.322
  146    H    GLU  23           HN       GLU  23  -3.101  12.301  11.382
  147    HA   GLU  23           HA       GLU  23  -4.452  12.175  13.936
  148   1HB   GLU  23           HB2      GLU  23  -4.421  14.789  13.489
  149   2HB   GLU  23           HB1      GLU  23  -2.981  13.936  14.024
  150   1HG   GLU  23           HG2      GLU  23  -2.061  13.938  11.839
  151   2HG   GLU  23           HG1      GLU  23  -3.582  14.479  11.130
  152    H    TYR  24           HN       TYR  24  -5.403  11.968  10.789
  153    HA   TYR  24           HA       TYR  24  -8.101  12.913  11.492
  154   1HB   TYR  24           HB2      TYR  24  -6.787  14.584  10.053
  155   2HB   TYR  24           HB1      TYR  24  -6.977  13.415   8.751
  156    HD1  TYR  24           HD1      TYR  24  -8.394  16.221  10.309
  157    HD2  TYR  24           HD2      TYR  24  -9.456  12.590   8.363
  158    HE1  TYR  24           HE1      TYR  24 -10.623  17.141   9.820
  159    HE2  TYR  24           HE2      TYR  24 -11.687  13.497   7.867
  160    HH   TYR  24           HH       TYR  24 -12.810  15.612   7.660
  161    H    THR  25           HN       THR  25  -9.714  11.599  10.922
  162    HA   THR  25           HA       THR  25  -9.426   9.729   8.735
  163    HB   THR  25           HB       THR  25  -9.957   8.682  11.523
  164    HG1  THR  25           HG1      THR  25  -7.680   8.266   9.890
  165   1HG2  THR  25          3HG2      THR  25 -10.506   7.573   8.979
  166   2HG2  THR  25          2HG2      THR  25  -9.163   6.675   9.692
  167   3HG2  THR  25          1HG2      THR  25 -10.685   6.830  10.570
  168    H    ASP  26           HN       ASP  26 -11.289   9.671   7.689
  169    HA   ASP  26           HA       ASP  26 -13.795   9.877   9.181
  170   1HB   ASP  26           HB2      ASP  26 -14.673  11.612   7.735
  171   2HB   ASP  26           HB1      ASP  26 -13.162  12.170   8.441
  172    H    ALA  27           HN       ALA  27 -15.308  10.196   6.657
  173    HA   ALA  27           HA       ALA  27 -15.453   7.417   5.974
  174   1HB   ALA  27           HB2      ALA  27 -17.554   8.253   5.883
  175   2HB   ALA  27           HB1      ALA  27 -17.016   9.852   5.369
  176   3HB   ALA  27           HB3      ALA  27 -17.113   8.535   4.199
  177    H    SER  28           HN       SER  28 -13.330   9.716   4.987
  178    HA   SER  28           HA       SER  28 -13.255   8.894   2.189
  179   1HB   SER  28           HB2      SER  28 -12.849  11.323   3.222
  180   2HB   SER  28           HB1      SER  28 -11.197  10.719   3.338
  181    HG   SER  28           HG       SER  28 -12.776  11.172   1.061
  182    H    GLY  29           HN       GLY  29 -11.552   8.505   5.207
  183   1HA   GLY  29           HA1      GLY  29  -9.421   6.993   3.874
  184   2HA   GLY  29           HA2      GLY  29 -10.426   6.168   5.057
  185    H    GLN  30           HN       GLN  30  -7.500   7.383   4.736
  186    HA   GLN  30           HA       GLN  30  -7.384   8.464   7.472
  187   1HB   GLN  30           HB2      GLN  30  -5.328   6.690   6.144
  188   2HB   GLN  30           HB1      GLN  30  -5.268   7.303   7.787
  189   1HG   GLN  30           HG2      GLN  30  -5.952   5.048   7.915
  190   2HG   GLN  30           HG1      GLN  30  -7.374   6.035   8.246
  191   1HE2  GLN  30          1HE2      GLN  30  -5.800   5.063   5.219
  192   2HE2  GLN  30          2HE2      GLN  30  -7.198   4.322   4.529
  193    H    TRP  31           HN       TRP  31  -5.922  10.127   7.861
  194    HA   TRP  31           HA       TRP  31  -4.302  11.095   5.634
  195   1HB   TRP  31           HB2      TRP  31  -6.080  13.017   7.121
  196   2HB   TRP  31           HB1      TRP  31  -5.185  13.289   5.632
  197    HD1  TRP  31           HD1      TRP  31  -8.253  11.291   6.890
  198    HE1  TRP  31           HE1      TRP  31  -9.887  11.025   4.919
  199    HE3  TRP  31           HE3      TRP  31  -5.418  13.402   3.197
  200    HZ2  TRP  31           HZ2      TRP  31  -9.962  11.634   2.160
  201    HZ3  TRP  31           HZ3      TRP  31  -6.343  13.519   0.921
  202    HH2  TRP  31           HH2      TRP  31  -8.569  12.653   0.414
  203    H    GLY  32           HN       GLY  32  -2.532  12.346   6.246
  204   1HA   GLY  32           HA1      GLY  32  -1.134  11.769   8.469
  205   2HA   GLY  32           HA2      GLY  32  -2.174  13.071   9.029
  206    H    VAL  33           HN       VAL  33  -0.634  14.615   9.348
  207    HA   VAL  33           HA       VAL  33   0.380  15.914   6.980
  208    HB   VAL  33           HB       VAL  33   0.726  16.633   9.894
  209   1HG1  VAL  33          1HG1      VAL  33   2.535  17.517   8.472
  210   2HG1  VAL  33          3HG1      VAL  33   1.326  18.279   7.437
  211   3HG1  VAL  33          2HG1      VAL  33   1.502  18.797   9.113
  212   1HG2  VAL  33          3HG2      VAL  33  -1.303  17.315   7.827
  213   2HG2  VAL  33          2HG2      VAL  33  -1.509  16.992   9.549
  214   3HG2  VAL  33          1HG2      VAL  33  -0.857  18.541   9.013
  215    H    GLN  34           HN       GLN  34   2.072  14.898   6.057
  216    HA   GLN  34           HA       GLN  34   4.353  14.244   7.800
  217   1HB   GLN  34           HB2      GLN  34   3.132  12.417   6.359
  218   2HB   GLN  34           HB1      GLN  34   4.087  13.101   5.049
  219   1HG   GLN  34           HG2      GLN  34   5.918  12.059   5.730
  220   2HG   GLN  34           HG1      GLN  34   5.709  12.637   7.384
  221   1HE2  GLN  34          1HE2      GLN  34   5.968   9.954   5.554
  222   2HE2  GLN  34          2HE2      GLN  34   5.137   8.815   6.556
  223    H    ASN  35           HN       ASN  35   6.265  15.176   7.419
  224    HA   ASN  35           HA       ASN  35   7.712  16.764   6.691
  225   1HB   ASN  35           HB2      ASN  35   8.473  16.503   4.464
  226   2HB   ASN  35           HB1      ASN  35   7.879  14.917   4.946
  227   1HD2  ASN  35          1HD2      ASN  35   6.205  14.015   3.872
  228   2HD2  ASN  35          2HD2      ASN  35   5.442  14.729   2.496
  229    H    GLY  36           HN       GLY  36   4.981  17.644   7.147
  230   1HA   GLY  36           HA1      GLY  36   5.216  20.270   6.085
  231   2HA   GLY  36           HA2      GLY  36   3.860  19.647   7.011
  232    H    GLN  37           HN       GLN  37   2.988  17.593   5.368
  233    HA   GLN  37           HA       GLN  37   1.699  19.137   3.286
  234   1HB   GLN  37           HB2      GLN  37   3.308  16.673   2.596
  235   2HB   GLN  37           HB1      GLN  37   2.273  17.566   1.488
  236   1HG   GLN  37           HG2      GLN  37   3.754  19.578   2.010
  237   2HG   GLN  37           HG1      GLN  37   4.874  18.411   2.712
  238   1HE2  GLN  37          1HE2      GLN  37   3.405  19.588  -0.202
  239   2HE2  GLN  37          2HE2      GLN  37   4.453  18.770  -1.305
  240    H    TRP  38           HN       TRP  38  -0.375  18.595   3.198
  241    HA   TRP  38           HA       TRP  38  -1.424  16.462   4.761
  242   1HB   TRP  38           HB2      TRP  38  -2.525  18.580   2.997
  243   2HB   TRP  38           HB1      TRP  38  -3.532  17.155   3.230
  244    HD1  TRP  38           HD1      TRP  38  -3.563  20.376   4.485
  245    HE1  TRP  38           HE1      TRP  38  -4.254  20.541   6.959
  246    HE3  TRP  38           HE3      TRP  38  -2.801  15.512   5.868
  247    HZ2  TRP  38           HZ2      TRP  38  -4.452  18.836   9.199
  248    HZ3  TRP  38           HZ3      TRP  38  -3.268  14.862   8.196
  249    HH2  TRP  38           HH2      TRP  38  -4.075  16.491   9.824
  250    H    CYS  39           HN       CYS  39  -1.093  14.400   4.166
  251    HA   CYS  39           HA       CYS  39  -1.945  13.624   1.479
  252   1HB   CYS  39           HB2      CYS  39   0.107  11.911   1.743
  253   2HB   CYS  39           HB1      CYS  39   0.242  13.449   0.907
  254    H    GLY  40           HN       GLY  40  -2.976  11.692   1.351
  255   1HA   GLY  40           HA1      GLY  40  -4.263   9.957   2.144
  256   2HA   GLY  40           HA2      GLY  40  -3.979  10.569   3.767
  257    H    ILE  41           HN       ILE  41  -3.861   8.307   4.376
  258    HA   ILE  41           HA       ILE  41  -1.123   7.330   4.149
  259    HB   ILE  41           HB       ILE  41  -3.349   6.888   6.081
  260   1HG1  ILE  41          2HG1      ILE  41  -1.460   7.172   7.684
  261   2HG1  ILE  41          1HG1      ILE  41  -0.377   7.370   6.311
  262   1HG2  ILE  41          2HG2      ILE  41  -1.282   4.852   5.384
  263   2HG2  ILE  41          1HG2      ILE  41  -1.817   5.020   7.056
  264   3HG2  ILE  41          3HG2      ILE  41  -2.983   4.632   5.792
  265   1HD1  ILE  41          2HD1      ILE  41  -2.747   9.123   6.392
  266   2HD1  ILE  41          1HD1      ILE  41  -1.486   9.419   7.589
  267   3HD1  ILE  41          3HD1      ILE  41  -1.096   9.460   5.869
  268    H    ASP  42           HN       ASP  42  -0.845   6.197   2.326
  269    HA   ASP  42           HA       ASP  42  -2.618   3.890   1.892
  270   1HB   ASP  42           HB2      ASP  42  -2.504   6.055   0.190
  271   2HB   ASP  42           HB1      ASP  42  -1.352   4.941  -0.541
  272    H    TYR  43           HN       TYR  43  -1.306   2.310   2.675
  273    HA   TYR  43           HA       TYR  43   1.481   2.225   2.467
  274   1HB   TYR  43           HB2      TYR  43  -0.275  -0.228   2.540
  275   2HB   TYR  43           HB1      TYR  43   1.352  -0.039   3.188
  276    HD1  TYR  43           HD1      TYR  43  -0.971  -1.123   4.744
  277    HD2  TYR  43           HD2      TYR  43   0.492   2.850   4.315
  278    HE1  TYR  43           HE1      TYR  43  -1.914  -0.543   6.939
  279    HE2  TYR  43           HE2      TYR  43  -0.449   3.442   6.509
  280    HH   TYR  43           HH       TYR  43  -2.478   2.445   7.969
  281    H    SER  44           HN       SER  44  -0.964   1.588   0.147
  282    HA   SER  44           HA       SER  44   1.042   0.520  -1.721
  283   1HB   SER  44           HB2      SER  44  -1.387  -0.021  -2.900
  284   2HB   SER  44           HB1      SER  44  -0.441  -1.173  -1.958
  285    HG   SER  44           HG       SER  44  -1.764  -0.931  -0.289
  286    H    TYR  45           HN       TYR  45   1.110   3.180  -1.402
  287    HA   TYR  45           HA       TYR  45  -0.609   4.399  -3.391
  288   1HB   TYR  45           HB2      TYR  45  -0.350   6.277  -2.178
  289   2HB   TYR  45           HB1      TYR  45   0.536   5.318  -0.997
  290    HD1  TYR  45           HD1      TYR  45   2.782   5.778  -0.575
  291    HD2  TYR  45           HD2      TYR  45   0.974   7.225  -4.129
  292    HE1  TYR  45           HE1      TYR  45   4.846   6.970  -1.135
  293    HE2  TYR  45           HE2      TYR  45   3.011   8.407  -4.707
  294    HH   TYR  45           HH       TYR  45   5.981   7.915  -3.044
  295    H    GLY  46           HN       GLY  46   0.014   4.128  -5.371
  296   1HA   GLY  46           HA1      GLY  46   1.810   5.221  -6.859
  297   2HA   GLY  46           HA2      GLY  46   1.407   3.547  -7.140
  298    H    GLN  47           HN       GLN  47   2.812   2.723  -4.611
  299    HA   GLN  47           HA       GLN  47   5.550   3.449  -5.000
  300   1HB   GLN  47           HB2      GLN  47   4.336   1.242  -3.333
  301   2HB   GLN  47           HB1      GLN  47   6.008   1.786  -3.248
  302   1HG   GLN  47           HG2      GLN  47   4.609   4.116  -2.917
  303   2HG   GLN  47           HG1      GLN  47   3.601   2.935  -2.079
  304   1HE2  GLN  47          1HE2      GLN  47   7.112   3.266  -2.457
  305   2HE2  GLN  47          2HE2      GLN  47   7.467   3.283  -0.767
  306    H    ASN  48           HN       ASN  48   7.078   1.296  -4.878
  307    HA   ASN  48           HA       ASN  48   6.852   0.212  -7.530
  308   1HB   ASN  48           HB2      ASN  48   8.896  -0.411  -5.392
  309   2HB   ASN  48           HB1      ASN  48   9.034  -0.769  -7.111
  310   1HD2  ASN  48          1HD2      ASN  48   9.205   0.999  -8.584
  311   2HD2  ASN  48          2HD2      ASN  48   9.871   2.505  -8.061
  312    H    GLN  49           HN       GLN  49   6.411  -1.816  -8.160
  313    HA   GLN  49           HA       GLN  49   5.177  -3.589  -6.209
  314   1HB   GLN  49           HB2      GLN  49   3.757  -3.400  -8.020
  315   2HB   GLN  49           HB1      GLN  49   5.064  -3.283  -9.187
  316   1HG   GLN  49           HG2      GLN  49   4.754  -5.880  -7.817
  317   2HG   GLN  49           HG1      GLN  49   3.467  -5.408  -8.919
  318   1HE2  GLN  49          1HE2      GLN  49   4.731  -7.579  -9.629
  319   2HE2  GLN  49          2HE2      GLN  49   5.838  -7.300 -10.926
  320    H    GLY  50           HN       GLY  50   7.990  -3.287  -6.039
  321   1HA   GLY  50           HA1      GLY  50   9.997  -4.447  -6.203
  322   2HA   GLY  50           HA2      GLY  50   9.220  -5.582  -7.295
  323    H    ASN  51           HN       ASN  51   7.112  -5.510  -4.856
  324    HA   ASN  51           HA       ASN  51   6.572  -6.970  -3.200
  325   1HB   ASN  51           HB2      ASN  51   7.349  -8.672  -4.852
  326   2HB   ASN  51           HB1      ASN  51   8.950  -8.586  -4.127
  327   1HD2  ASN  51          1HD2      ASN  51   5.662  -8.702  -2.794
  328   2HD2  ASN  51          2HD2      ASN  51   5.941 -10.069  -1.776
  329    H    GLU  52           HN       GLU  52   7.930  -4.780  -2.392
  330    HA   GLU  52           HA       GLU  52  10.122  -5.613  -0.673
  331   1HB   GLU  52           HB2      GLU  52   8.901  -2.862  -0.802
  332   2HB   GLU  52           HB1      GLU  52  10.518  -3.311  -0.276
  333   1HG   GLU  52           HG2      GLU  52  10.563  -4.213  -2.817
  334   2HG   GLU  52           HG1      GLU  52   9.466  -2.842  -2.978
  335    H    SER  53           HN       SER  53   6.727  -5.028  -0.486
  336    HA   SER  53           HA       SER  53   6.687  -5.849   2.270
  337   1HB   SER  53           HB2      SER  53   5.341  -3.779   2.955
  338   2HB   SER  53           HB1      SER  53   7.083  -3.570   2.768
  339    HG   SER  53           HG       SER  53   6.629  -2.772   0.635
  340    H    CYS  54           HN       CYS  54   4.608  -6.440   3.008
  341    HA   CYS  54           HA       CYS  54   2.577  -6.577   0.878
  342   1HB   CYS  54           HB2      CYS  54   1.762  -8.617   2.267
  343   2HB   CYS  54           HB1      CYS  54   3.159  -8.807   1.215
  344    H    THR  55           HN       THR  55   0.309  -6.734   1.692
  345    HA   THR  55           HA       THR  55  -0.074  -4.753   3.788
  346    HB   THR  55           HB       THR  55  -2.066  -6.043   1.911
  347    HG1  THR  55           HG1      THR  55  -1.646  -4.452   0.603
  348   1HG2  THR  55          3HG2      THR  55  -2.535  -4.516   4.257
  349   2HG2  THR  55          2HG2      THR  55  -2.961  -3.535   2.852
  350   3HG2  THR  55          1HG2      THR  55  -3.697  -5.122   3.077
  351    H    GLY  56           HN       GLY  56  -1.269  -5.097   5.651
  352   1HA   GLY  56           HA1      GLY  56  -2.171  -7.834   6.181
  353   2HA   GLY  56           HA2      GLY  56  -2.614  -6.408   7.103
  354    H    ASN  57           HN       ASN  57   0.589  -6.042   6.669
  355    HA   ASN  57           HA       ASN  57   1.534  -7.924   8.632
  356   1HB   ASN  57           HB2      ASN  57   3.652  -6.419   8.470
  357   2HB   ASN  57           HB1      ASN  57   3.209  -7.437   7.107
  358   1HD2  ASN  57          1HD2      ASN  57   1.539  -4.458   7.936
  359   2HD2  ASN  57          2HD2      ASN  57   2.066  -3.567   6.558
  360    H    GLY  58           HN       GLY  58  -0.424  -5.440   9.096
  361   1HA   GLY  58           HA1      GLY  58  -0.689  -3.810  10.730
  362   2HA   GLY  58           HA2      GLY  58   0.966  -4.094  11.247
  363    H    SER  59           HN       SER  59  -1.168  -6.803  10.898
  364    HA   SER  59           HA       SER  59  -0.888  -7.426  13.685
  365   1HB   SER  59           HB2      SER  59  -3.316  -7.517  14.164
  366   2HB   SER  59           HB1      SER  59  -2.764  -5.876  13.826
  367    HG   SER  59           HG       SER  59  -3.475  -6.350  11.591
  368    H    TYR  60           HN       TYR  60  -2.691  -8.160  10.710
  369    HA   TYR  60           HA       TYR  60  -2.707 -10.997  11.399
  370   1HB   TYR  60           HB2      TYR  60  -3.773 -10.402   8.767
  371   2HB   TYR  60           HB1      TYR  60  -4.568 -11.136  10.153
  372    HD1  TYR  60           HD1      TYR  60  -4.494  -8.364   7.995
  373    HD2  TYR  60           HD2      TYR  60  -5.352  -9.450  12.015
  374    HE1  TYR  60           HE1      TYR  60  -5.874  -6.346   8.234
  375    HE2  TYR  60           HE2      TYR  60  -6.735  -7.431  12.271
  376    HH   TYR  60           HH       TYR  60  -8.089  -5.881  10.423
  377    HA   PRO  61           HA       PRO  61   0.405 -12.037   8.396
  378   1HB   PRO  61           HB2      PRO  61  -0.429 -14.263   7.210
  379   2HB   PRO  61           HB1      PRO  61  -0.220 -14.211   8.966
  380   1HG   PRO  61           HG2      PRO  61  -2.726 -14.079   7.347
  381   2HG   PRO  61           HG1      PRO  61  -2.434 -14.880   8.901
  382   1HD   PRO  61           HD2      PRO  61  -3.615 -12.364   8.530
  383   2HD   PRO  61           HD1      PRO  61  -2.997 -13.011  10.061
  384    H    CYS  62           HN       CYS  62   1.120 -12.082   6.190
  385    HA   CYS  62           HA       CYS  62  -0.465 -10.462   4.434
  386   1HB   CYS  62           HB2      CYS  62   2.183 -11.855   3.965
  387   2HB   CYS  62           HB1      CYS  62   1.449 -10.679   2.879
  388    H    CYS  63           HN       CYS  63  -1.270 -11.060   2.374
  389    HA   CYS  63           HA       CYS  63  -2.273 -13.756   2.312
  390   1HB   CYS  63           HB2      CYS  63  -3.076 -11.220   1.298
  391   2HB   CYS  63           HB1      CYS  63  -2.951 -12.328  -0.062
  392    H    ASN  64           HN       ASN  64  -1.062 -11.886  -0.411
  393    HA   ASN  64           HA       ASN  64   1.018 -12.493  -1.557
  394   1HB   ASN  64           HB2      ASN  64   1.622 -14.715  -1.979
  395   2HB   ASN  64           HB1      ASN  64   1.024 -14.777  -0.330
  396   1HD2  ASN  64          1HD2      ASN  64   0.787 -16.037  -3.428
  397   2HD2  ASN  64          2HD2      ASN  64  -0.628 -17.002  -3.211
  398    H    THR  65           HN       THR  65  -2.289 -13.452  -1.839
  399    HA   THR  65           HA       THR  65  -2.328 -13.800  -4.664
  400    HB   THR  65           HB       THR  65  -3.965 -14.768  -3.028
  401    HG1  THR  65           HG1      THR  65  -5.179 -13.193  -5.048
  402   1HG2  THR  65          1HG2      THR  65  -4.316 -12.628  -1.748
  403   2HG2  THR  65          3HG2      THR  65  -5.308 -12.081  -3.101
  404   3HG2  THR  65          2HG2      THR  65  -5.778 -13.514  -2.187
  405    H    CYS  66           HN       CYS  66  -2.977 -12.390  -6.262
  406    HA   CYS  66           HA       CYS  66  -2.914  -9.558  -5.519
  407   1HB   CYS  66           HB2      CYS  66  -2.816 -10.622  -8.335
  408   2HB   CYS  66           HB1      CYS  66  -2.239  -9.073  -7.729
  409    H    GLN  67           HN       GLN  67  -5.214 -11.071  -4.973
  410    HA   GLN  67           HA       GLN  67  -7.151  -9.795  -6.782
  411   1HB   GLN  67           HB2      GLN  67  -7.634 -11.956  -7.324
  412   2HB   GLN  67           HB1      GLN  67  -6.943 -12.595  -5.844
  413   1HG   GLN  67           HG2      GLN  67  -9.405 -11.128  -5.362
  414   2HG   GLN  67           HG1      GLN  67  -9.618 -12.456  -6.498
  415   1HE2  GLN  67          1HE2      GLN  67  -7.289 -12.335  -3.865
  416   2HE2  GLN  67          2HE2      GLN  67  -7.978 -13.630  -2.952
  417    H    ALA  68           HN       ALA  68  -7.402  -8.011  -5.479
  418    HA   ALA  68           HA       ALA  68  -7.968  -8.294  -2.670
  419   1HB   ALA  68           HB1      ALA  68  -6.764  -6.382  -3.021
  420   2HB   ALA  68           HB3      ALA  68  -7.586  -6.006  -4.535
  421   3HB   ALA  68           HB2      ALA  68  -8.405  -5.733  -2.996
  422    H    THR  69           HN       THR  69  -9.871  -8.937  -2.037
  423    HA   THR  69           HA       THR  69 -12.236  -8.404  -3.640
  424    HB   THR  69           HB       THR  69 -12.532 -10.536  -2.932
  425    HG1  THR  69           HG1      THR  69 -13.299  -9.331  -0.490
  426   1HG2  THR  69          1HG2      THR  69 -11.028  -9.926  -0.403
  427   2HG2  THR  69          3HG2      THR  69 -11.681 -11.502  -0.861
  428   3HG2  THR  69          2HG2      THR  69 -10.398 -10.763  -1.825
  429    H    TYR  70           HN       TYR  70 -10.670  -7.225  -0.794
  430    HA   TYR  70           HA       TYR  70 -12.707  -5.181  -0.549
  431   1HB   TYR  70           HB2      TYR  70 -13.514  -5.691   1.520
  432   2HB   TYR  70           HB1      TYR  70 -13.119  -7.322   1.000
  433    HD1  TYR  70           HD1      TYR  70 -11.617  -4.428   2.825
  434    HD2  TYR  70           HD2      TYR  70 -11.813  -8.655   2.379
  435    HE1  TYR  70           HE1      TYR  70 -10.195  -4.696   4.808
  436    HE2  TYR  70           HE2      TYR  70 -10.386  -8.935   4.363
  437    HH   TYR  70           HH       TYR  70  -9.956  -7.063   6.599
  438    H    THR  71           HN       THR  71 -11.930  -3.269   0.203
  439    HA   THR  71           HA       THR  71  -9.115  -3.224   1.072
  440    HB   THR  71           HB       THR  71 -10.577  -1.323  -0.759
  441    HG1  THR  71           HG1      THR  71  -9.607  -3.102  -1.759
  442   1HG2  THR  71          1HG2      THR  71  -9.173  -0.082   0.904
  443   2HG2  THR  71          3HG2      THR  71  -7.775  -0.946   0.258
  444   3HG2  THR  71          2HG2      THR  71  -8.707   0.130  -0.785
  445    H    ASP  72           HN       ASP  72  -8.669  -2.143   2.894
  446    HA   ASP  72           HA       ASP  72 -10.869  -0.635   4.132
  447   1HB   ASP  72           HB2      ASP  72  -9.451  -2.874   5.112
  448   2HB   ASP  72           HB1      ASP  72  -8.914  -1.493   6.063
  449    H    GLY  73           HN       GLY  73  -9.484   0.482   6.241
  450   1HA   GLY  73           HA1      GLY  73  -8.417   2.472   6.678
  451   2HA   GLY  73           HA2      GLY  73  -8.255   2.706   4.946
  452    H    ASP  74           HN       ASP  74  -6.909  -0.216   5.280
  453    HA   ASP  74           HA       ASP  74  -4.251   0.947   5.772
  454   1HB   ASP  74           HB2      ASP  74  -5.533  -1.419   6.994
  455   2HB   ASP  74           HB1      ASP  74  -3.864  -1.643   6.479
  456    H    GLY  75           HN       GLY  75  -6.055   0.046   3.367
  457   1HA   GLY  75           HA1      GLY  75  -3.910  -1.475   2.021
  458   2HA   GLY  75           HA2      GLY  75  -4.852  -0.220   1.229
  459    H    ASP  76           HN       ASP  76  -4.733  -2.576  -0.021
  460    HA   ASP  76           HA       ASP  76  -7.482  -3.395  -0.049
  461   1HB   ASP  76           HB2      ASP  76  -5.243  -4.760  -1.538
  462   2HB   ASP  76           HB1      ASP  76  -6.941  -4.638  -1.984
  463    H    TRP  77           HN       TRP  77  -7.967  -5.825  -0.171
  464    HA   TRP  77           HA       TRP  77  -6.330  -7.510   1.497
  465   1HB   TRP  77           HB2      TRP  77  -9.111  -6.806   2.448
  466   2HB   TRP  77           HB1      TRP  77  -7.962  -7.875   3.245
  467    HD1  TRP  77           HD1      TRP  77  -8.672  -4.157   2.647
  468    HE1  TRP  77           HE1      TRP  77  -7.299  -2.777   4.318
  469    HE3  TRP  77           HE3      TRP  77  -5.841  -7.907   4.666
  470    HZ2  TRP  77           HZ2      TRP  77  -5.289  -3.211   6.231
  471    HZ3  TRP  77           HZ3      TRP  77  -4.215  -7.332   6.414
  472    HH2  TRP  77           HH2      TRP  77  -3.944  -5.028   7.182
  473    H    ALA  78           HN       ALA  78  -6.894  -9.683   1.429
  474    HA   ALA  78           HA       ALA  78  -9.174 -10.448  -0.210
  475   1HB   ALA  78           HB2      ALA  78  -7.253 -10.147  -1.739
  476   2HB   ALA  78           HB3      ALA  78  -7.882 -11.795  -1.714
  477   3HB   ALA  78           HB1      ALA  78  -6.395 -11.406  -0.849
  478    H    PHE  79           HN       PHE  79  -9.798 -12.647   0.001
  479    HA   PHE  79           HA       PHE  79  -9.006 -13.800   2.557
  480   1HB   PHE  79           HB2      PHE  79 -11.433 -13.529   1.811
  481   2HB   PHE  79           HB1      PHE  79 -11.127 -14.844   0.681
  482    HD1  PHE  79           HD1      PHE  79  -9.998 -14.390   4.197
  483    HD2  PHE  79           HD2      PHE  79 -12.348 -16.645   1.459
  484    HE1  PHE  79           HE1      PHE  79 -10.491 -16.022   5.971
  485    HE2  PHE  79           HE2      PHE  79 -12.846 -18.281   3.227
  486    HZ   PHE  79           HZ       PHE  79 -11.919 -17.970   5.487
  487    H    GLU  80           HN       GLU  80  -7.217 -15.007   2.464
  488    HA   GLU  80           HA       GLU  80  -7.052 -17.058   0.356
  489   1HB   GLU  80           HB2      GLU  80  -5.450 -15.101   0.073
  490   2HB   GLU  80           HB1      GLU  80  -4.658 -15.666   1.541
  491   1HG   GLU  80           HG2      GLU  80  -3.492 -16.456  -0.412
  492   2HG   GLU  80           HG1      GLU  80  -4.202 -17.804   0.479
  493    H    ASN  81           HN       ASN  81  -6.118 -19.034   0.934
  494    HA   ASN  81           HA       ASN  81  -5.866 -20.817   2.343
  495   1HB   ASN  81           HB2      ASN  81  -3.659 -19.907   2.508
  496   2HB   ASN  81           HB1      ASN  81  -4.183 -18.671   3.643
  497   1HD2  ASN  81          1HD2      ASN  81  -2.892 -19.136   5.294
  498   2HD2  ASN  81          2HD2      ASN  81  -2.911 -20.626   6.173
  499    H    GLY  82           HN       GLY  82  -8.163 -19.024   2.848
  500   1HA   GLY  82           HA1      GLY  82  -9.099 -20.226   5.233
  501   2HA   GLY  82           HA2      GLY  82  -9.911 -18.956   4.332
  502    H    ASN  83           HN       ASN  83  -7.435 -17.232   4.621
  503    HA   ASN  83           HA       ASN  83  -8.068 -16.310   7.339
  504   1HB   ASN  83           HB2      ASN  83  -5.546 -15.639   7.423
  505   2HB   ASN  83           HB1      ASN  83  -6.016 -17.294   7.798
  506   1HD2  ASN  83          1HD2      ASN  83  -4.472 -15.199   5.509
  507   2HD2  ASN  83          2HD2      ASN  83  -3.751 -16.441   4.549
  508    H    TRP  84           HN       TRP  84  -8.252 -14.146   7.587
  509    HA   TRP  84           HA       TRP  84  -8.471 -12.539   5.235
  510   1HB   TRP  84           HB2      TRP  84  -8.841 -12.068   8.172
  511   2HB   TRP  84           HB1      TRP  84  -8.757 -10.691   7.077
  512    HD1  TRP  84           HD1      TRP  84 -11.306 -12.418   8.744
  513    HE1  TRP  84           HE1      TRP  84 -13.509 -12.538   7.418
  514    HE3  TRP  84           HE3      TRP  84  -9.517 -11.267   4.096
  515    HZ2  TRP  84           HZ2      TRP  84 -14.373 -12.189   4.753
  516    HZ3  TRP  84           HZ3      TRP  84 -11.098 -11.181   2.212
  517    HH2  TRP  84           HH2      TRP  84 -13.475 -11.634   2.535
  518    H    CYS  85           HN       CYS  85  -6.502 -12.323   4.258
  519    HA   CYS  85           HA       CYS  85  -4.381 -11.001   5.814
  520   1HB   CYS  85           HB2      CYS  85  -3.097 -11.799   3.569
  521   2HB   CYS  85           HB1      CYS  85  -3.182 -12.756   5.039
  522    H    GLY  86           HN       GLY  86  -2.861  -9.700   4.224
  523   1HA   GLY  86           HA1      GLY  86  -3.154  -7.407   3.496
  524   2HA   GLY  86           HA2      GLY  86  -4.661  -7.893   2.737
  525    H    ILE  87           HN       ILE  87  -4.065  -7.072   0.718
  526    HA   ILE  87           HA       ILE  87  -2.653  -8.887  -0.947
  527    HB   ILE  87           HB       ILE  87  -4.307  -6.538  -1.314
  528   1HG1  ILE  87          2HG1      ILE  87  -5.036  -7.682  -3.253
  529   2HG1  ILE  87          1HG1      ILE  87  -3.529  -8.578  -3.390
  530   1HG2  ILE  87          2HG2      ILE  87  -2.235  -5.455  -2.044
  531   2HG2  ILE  87          1HG2      ILE  87  -1.963  -6.761  -3.201
  532   3HG2  ILE  87          3HG2      ILE  87  -3.355  -5.692  -3.385
  533   1HD1  ILE  87          3HD1      ILE  87  -5.473  -8.933  -1.129
  534   2HD1  ILE  87          2HD1      ILE  87  -5.492  -9.894  -2.609
  535   3HD1  ILE  87          1HD1      ILE  87  -4.093  -9.951  -1.540
  536    H    LYS  88           HN       LYS  88  -0.655  -8.803  -1.826
  537    HA   LYS  88           HA       LYS  88   1.359  -7.369  -0.428
  538   1HB   LYS  88           HB2      LYS  88   1.861  -8.618  -3.103
  539   2HB   LYS  88           HB1      LYS  88   2.909  -8.554  -1.696
  540   1HG   LYS  88           HG2      LYS  88   0.468 -10.283  -2.036
  541   2HG   LYS  88           HG1      LYS  88   2.150 -10.809  -2.064
  542   1HD   LYS  88           HD2      LYS  88   1.437  -9.310   0.338
  543   2HD   LYS  88           HD1      LYS  88   0.513 -10.799   0.138
  544   1HE   LYS  88           HE2      LYS  88   2.721 -10.937   1.424
  545   2HE   LYS  88           HE1      LYS  88   2.431 -12.134   0.165
  546   1HZ   LYS  88           HZ2      LYS  88   3.920  -9.650  -0.409
  547   2HZ   LYS  88           HZ1      LYS  88   4.700 -10.999   0.248
  548   3HZ   LYS  88           HZ3      LYS  88   3.936 -11.112  -1.258
  549    H    ASN  89           HN       ASN  89   2.695  -5.690  -1.124
  550    HA   ASN  89           HA       ASN  89   1.469  -3.716  -2.735
  551   1HB   ASN  89           HB2      ASN  89   3.251  -2.342  -2.175
  552   2HB   ASN  89           HB1      ASN  89   3.283  -3.497  -0.848
  553   1HD2  ASN  89          1HD2      ASN  89   4.449  -5.658  -2.166
  554   2HD2  ASN  89          2HD2      ASN  89   6.084  -5.254  -2.544
  555    H    SER  90           HN       SER  90   3.268  -6.480  -3.499
  556    HA   SER  90           HA       SER  90   4.268  -5.500  -6.037
  557   1HB   SER  90           HB2      SER  90   5.014  -7.545  -4.277
  558   2HB   SER  90           HB1      SER  90   4.370  -8.383  -5.688
  559    HG   SER  90           HG       SER  90   6.297  -8.011  -6.451
  560    H    CYS  91           HN       CYS  91   1.419  -6.844  -4.809
  561    HA   CYS  91           HA       CYS  91   0.607  -8.087  -7.304
  562   1HB   CYS  91           HB2      CYS  91  -0.460  -8.015  -4.521
  563   2HB   CYS  91           HB1      CYS  91  -1.583  -8.338  -5.836
  564    H    LYS  92           HN       LYS  92   1.050  -5.488  -7.770
  565    HA   LYS  92           HA       LYS  92  -1.652  -4.341  -7.977
  566   1HB   LYS  92           HB2      LYS  92   0.900  -2.750  -7.948
  567   2HB   LYS  92           HB1      LYS  92  -0.743  -2.155  -7.764
  568   1HG   LYS  92           HG2      LYS  92  -0.918  -2.989  -5.580
  569   2HG   LYS  92           HG1      LYS  92   0.497  -4.026  -5.777
  570   1HD   LYS  92           HD2      LYS  92   1.028  -2.080  -4.405
  571   2HD   LYS  92           HD1      LYS  92   1.926  -2.041  -5.924
  572   1HE   LYS  92           HE2      LYS  92   0.736  -0.272  -6.745
  573   2HE   LYS  92           HE1      LYS  92  -0.706  -0.671  -5.807
  574   1HZ   LYS  92           HZ2      LYS  92   0.715  -0.006  -3.805
  575   2HZ   LYS  92           HZ1      LYS  92   1.732   0.744  -4.929
  576   3HZ   LYS  92           HZ3      LYS  92   0.117   1.231  -4.794
  577    H    GLN  93           HN       GLN  93   1.553  -3.950  -9.437
  578    HA   GLN  93           HA       GLN  93   0.595  -4.663 -12.047
  579   1HB   GLN  93           HB2      GLN  93   1.030  -2.531 -13.129
  580   2HB   GLN  93           HB1      GLN  93  -0.191  -2.334 -11.879
  581   1HG   GLN  93           HG2      GLN  93   2.285  -1.846 -10.649
  582   2HG   GLN  93           HG1      GLN  93   2.317  -0.997 -12.194
  583   1HE2  GLN  93          1HE2      GLN  93   0.757   0.603 -12.604
  584   2HE2  GLN  93          2HE2      GLN  93  -0.101   1.375 -11.319
  585    H    GLN  94           HN       GLN  94   2.233  -5.365 -13.325
  586    HA   GLN  94           HA       GLN  94   4.734  -5.870 -12.196
  587   1HB   GLN  94           HB2      GLN  94   4.565  -7.382 -13.834
  588   2HB   GLN  94           HB1      GLN  94   3.360  -6.424 -14.680
  589   1HG   GLN  94           HG2      GLN  94   5.209  -6.791 -16.134
  590   2HG   GLN  94           HG1      GLN  94   5.191  -5.092 -15.675
  591   1HE2  GLN  94          1HE2      GLN  94   7.062  -4.261 -15.095
  592   2HE2  GLN  94          2HE2      GLN  94   8.427  -5.138 -14.501
  593    HA   PRO  95           HA       PRO  95   6.401  -2.321 -15.092
  594   1HB   PRO  95           HB2      PRO  95   4.550  -0.408 -15.707
  595   2HB   PRO  95           HB1      PRO  95   4.922  -1.783 -16.756
  596   1HG   PRO  95           HG2      PRO  95   2.692  -1.469 -14.772
  597   2HG   PRO  95           HG1      PRO  95   2.621  -2.069 -16.441
  598   1HD   PRO  95           HD2      PRO  95   2.631  -3.745 -14.382
  599   2HD   PRO  95           HD1      PRO  95   3.537  -4.124 -15.860
  600    H    GLN  96           HN       GLN  96   4.112  -1.959 -12.499
  601    HA   GLN  96           HA       GLN  96   3.841  -0.354 -10.873
  602   1HB   GLN  96           HB2      GLN  96   5.607  -0.421  -9.351
  603   2HB   GLN  96           HB1      GLN  96   5.795  -1.905 -10.271
  604   1HG   GLN  96           HG2      GLN  96   7.313   0.017 -11.625
  605   2HG   GLN  96           HG1      GLN  96   7.636   0.263  -9.912
  606   1HE2  GLN  96          1HE2      GLN  96   7.330  -2.362 -12.279
  607   2HE2  GLN  96          2HE2      GLN  96   8.638  -3.305 -11.658
  608    H    ASN  97           HN       ASN  97   5.922   1.537  -9.980
  609    HA   ASN  97           HA       ASN  97   5.110   3.812 -11.364
  610   1HB   ASN  97           HB2      ASN  97   6.052   3.943  -9.125
  611   2HB   ASN  97           HB1      ASN  97   7.607   3.365  -9.713
  612   1HD2  ASN  97          1HD2      ASN  97   8.764   5.141  -9.105
  613   2HD2  ASN  97          2HD2      ASN  97   8.575   6.695  -9.836
  614    H    ASN  98           HN       ASN  98   8.464   2.608 -11.375
  615    HA   ASN  98           HA       ASN  98   8.833   3.761 -14.028
  616   1HB   ASN  98           HB2      ASN  98  10.645   2.865 -11.836
  617   2HB   ASN  98           HB1      ASN  98  11.267   2.837 -13.483
  618   1HD2  ASN  98          1HD2      ASN  98  10.637   4.723 -10.763
  619   2HD2  ASN  98          2HD2      ASN  98  10.986   6.271 -11.447
  620    H    ASN  99           HN       ASN  99   9.801   2.554 -15.755
  621    HA   ASN  99           HA       ASN  99   8.759  -0.139 -15.909
  622   1HB   ASN  99           HB2      ASN  99  10.352   1.339 -18.007
  623   2HB   ASN  99           HB1      ASN  99   9.279  -0.038 -18.246
  624   1HD2  ASN  99          1HD2      ASN  99   7.147   0.797 -16.645
  625   2HD2  ASN  99          2HD2      ASN  99   6.401   2.161 -17.398
  626    H    GLN 100           HN       GLN 100   9.929  -1.654 -14.897
  627    HA   GLN 100           HA       GLN 100  12.842  -1.556 -14.997
  628   1HB   GLN 100           HB2      GLN 100  11.361  -2.108 -12.915
  629   2HB   GLN 100           HB1      GLN 100  11.282  -3.715 -13.624
  630   1HG   GLN 100           HG2      GLN 100  13.616  -4.014 -13.447
  631   2HG   GLN 100           HG1      GLN 100  13.878  -2.311 -13.078
  632   1HE2  GLN 100          1HE2      GLN 100  12.385  -1.639 -11.110
  633   2HE2  GLN 100          2HE2      GLN 100  12.560  -2.658  -9.726

  No H/Q in entry =         633
  Start of MODEL    4
    1    H1   ALA   1           HT2      ALA   1   3.516   5.613  -9.792
    2    H2   ALA   1           HT1      ALA   1   4.514   6.931 -10.254
    3    H3   ALA   1           HT3      ALA   1   5.221   5.498  -9.634
    4    HA   ALA   1           HA       ALA   1   4.186   5.857  -7.536
    5   1HB   ALA   1           HB1      ALA   1   5.962   7.937  -8.730
    6   2HB   ALA   1           HB3      ALA   1   5.395   8.118  -7.071
    7   3HB   ALA   1           HB2      ALA   1   6.331   6.697  -7.532
    8    H    MET   2           HN       MET   2   1.872   6.172  -8.706
    9    HA   MET   2           HA       MET   2   0.664   8.335  -7.329
   10   1HB   MET   2           HB2      MET   2   1.739   9.147  -9.708
   11   2HB   MET   2           HB1      MET   2   0.092   8.753 -10.182
   12   1HG   MET   2           HG2      MET   2  -0.765  10.529  -9.138
   13   2HG   MET   2           HG1      MET   2   0.272  10.325  -7.728
   14   1HE   MET   2           HE1      MET   2   2.405  10.900  -7.446
   15   2HE   MET   2           HE3      MET   2   3.532  11.411  -8.704
   16   3HE   MET   2           HE2      MET   2   2.731  12.615  -7.695
   17    H    ALA   3           HN       ALA   3  -0.640   6.641  -6.558
   18    HA   ALA   3           HA       ALA   3  -2.929   6.072  -8.222
   19   1HB   ALA   3           HB2      ALA   3  -2.624   3.886  -8.662
   20   2HB   ALA   3           HB1      ALA   3  -0.916   4.266  -8.427
   21   3HB   ALA   3           HB3      ALA   3  -1.856   3.576  -7.102
   22    H    CYS   4           HN       CYS   4  -2.372   7.436  -5.706
   23    HA   CYS   4           HA       CYS   4  -3.558   5.721  -3.675
   24   1HB   CYS   4           HB2      CYS   4  -3.330   7.884  -2.273
   25   2HB   CYS   4           HB1      CYS   4  -1.873   7.009  -2.708
   26    H    TRP   5           HN       TRP   5  -5.382   6.422  -2.402
   27    HA   TRP   5           HA       TRP   5  -7.556   7.299  -4.029
   28   1HB   TRP   5           HB2      TRP   5  -8.831   7.232  -1.852
   29   2HB   TRP   5           HB1      TRP   5  -8.030   5.723  -2.279
   30    HD1  TRP   5           HD1      TRP   5  -6.187   4.829  -0.646
   31    HE1  TRP   5           HE1      TRP   5  -5.359   5.557   1.683
   32    HE3  TRP   5           HE3      TRP   5  -8.429   9.381  -0.412
   33    HZ2  TRP   5           HZ2      TRP   5  -5.641   7.789   3.392
   34    HZ3  TRP   5           HZ3      TRP   5  -8.116  10.765   1.602
   35    HH2  TRP   5           HH2      TRP   5  -6.744   9.983   3.464
   36    H    ALA   6           HN       ALA   6  -5.128   8.867  -2.300
   37    HA   ALA   6           HA       ALA   6  -6.455  11.180  -1.387
   38   1HB   ALA   6           HB1      ALA   6  -4.408  10.915  -0.389
   39   2HB   ALA   6           HB3      ALA   6  -3.626  10.396  -1.883
   40   3HB   ALA   6           HB2      ALA   6  -4.003  12.101  -1.631
   41    H    GLN   7           HN       GLN   7  -4.436  10.636  -4.288
   42    HA   GLN   7           HA       GLN   7  -4.768  13.162  -5.424
   43   1HB   GLN   7           HB2      GLN   7  -4.346  11.917  -7.628
   44   2HB   GLN   7           HB1      GLN   7  -3.102  11.836  -6.388
   45   1HG   GLN   7           HG2      GLN   7  -3.482   9.631  -5.947
   46   2HG   GLN   7           HG1      GLN   7  -5.164   9.704  -6.474
   47   1HE2  GLN   7          1HE2      GLN   7  -1.857   9.363  -7.469
   48   2HE2  GLN   7          2HE2      GLN   7  -2.180   8.836  -9.082
   49    H    SER   8           HN       SER   8  -6.811  10.305  -5.577
   50    HA   SER   8           HA       SER   8  -8.574  11.184  -7.582
   51   1HB   SER   8           HB2      SER   8  -8.349   8.868  -6.294
   52   2HB   SER   8           HB1      SER   8  -9.621   9.570  -5.294
   53    HG   SER   8           HG       SER   8  -9.666   9.073  -8.082
   54    H    GLN   9           HN       GLN   9  -8.124  12.146  -4.317
   55    HA   GLN   9           HA       GLN   9 -10.726  13.428  -4.126
   56   1HB   GLN   9           HB2      GLN   9  -8.420  13.214  -2.191
   57   2HB   GLN   9           HB1      GLN   9  -9.891  14.117  -1.856
   58   1HG   GLN   9           HG2      GLN   9 -11.208  12.175  -1.830
   59   2HG   GLN   9           HG1      GLN   9  -9.937  11.208  -2.580
   60   1HE2  GLN   9          1HE2      GLN   9 -11.097  10.260  -0.354
   61   2HE2  GLN   9          2HE2      GLN   9 -10.020  10.365   0.993
   62    H    GLY  10           HN       GLY  10  -7.345  14.217  -4.629
   63   1HA   GLY  10           HA1      GLY  10  -7.989  17.079  -4.576
   64   2HA   GLY  10           HA2      GLY  10  -7.432  16.388  -6.090
   65    H    TYR  11           HN       TYR  11  -6.092  15.129  -3.135
   66    HA   TYR  11           HA       TYR  11  -3.652  16.670  -3.715
   67   1HB   TYR  11           HB2      TYR  11  -3.161  16.924  -1.452
   68   2HB   TYR  11           HB1      TYR  11  -4.893  17.198  -1.551
   69    HD1  TYR  11           HD1      TYR  11  -3.281  16.528   0.905
   70    HD2  TYR  11           HD2      TYR  11  -5.439  14.084  -1.815
   71    HE1  TYR  11           HE1      TYR  11  -3.635  14.881   2.692
   72    HE2  TYR  11           HE2      TYR  11  -5.810  12.426  -0.040
   73    HH   TYR  11           HH       TYR  11  -5.841  12.252   2.331
   74    H    ASN  12           HN       ASN  12  -1.631  15.593  -2.707
   75    HA   ASN  12           HA       ASN  12  -1.398  13.034  -3.995
   76   1HB   ASN  12           HB2      ASN  12   0.860  14.025  -2.354
   77   2HB   ASN  12           HB1      ASN  12   0.852  13.377  -3.989
   78   1HD2  ASN  12          1HD2      ASN  12   1.357  16.076  -2.197
   79   2HD2  ASN  12          2HD2      ASN  12   1.117  17.282  -3.410
   80    H    CYS  13           HN       CYS  13   0.215  11.449  -2.785
   81    HA   CYS  13           HA       CYS  13  -1.223  10.594  -0.393
   82   1HB   CYS  13           HB2      CYS  13   0.878   8.775  -1.132
   83   2HB   CYS  13           HB1      CYS  13  -0.860   8.512  -1.131
   84    H    CYS  14           HN       CYS  14   0.265   9.460   1.289
   85    HA   CYS  14           HA       CYS  14   2.327  11.417   1.996
   86   1HB   CYS  14           HB2      CYS  14   0.255  10.286   3.466
   87   2HB   CYS  14           HB1      CYS  14   1.691   9.456   4.050
   88    H    ASN  15           HN       ASN  15   4.382  10.934   1.753
   89    HA   ASN  15           HA       ASN  15   5.349   8.489   0.826
   90   1HB   ASN  15           HB2      ASN  15   6.622  10.507   0.490
   91   2HB   ASN  15           HB1      ASN  15   6.767  10.764   2.226
   92   1HD2  ASN  15          1HD2      ASN  15   8.249   9.593   3.395
   93   2HD2  ASN  15          2HD2      ASN  15   9.489   8.646   2.653
   94    H    ASN  16           HN       ASN  16   5.032   6.662   1.935
   95    HA   ASN  16           HA       ASN  16   5.487   5.045   3.465
   96   1HB   ASN  16           HB2      ASN  16   7.396   5.292   4.598
   97   2HB   ASN  16           HB1      ASN  16   7.431   6.971   4.094
   98   1HD2  ASN  16          1HD2      ASN  16   6.995   8.558   5.557
   99   2HD2  ASN  16          2HD2      ASN  16   6.782   8.261   7.245
  100    HA   PRO  17           HA       PRO  17   1.645   6.497   5.539
  101   1HB   PRO  17           HB2      PRO  17   0.265   4.219   5.020
  102   2HB   PRO  17           HB1      PRO  17   0.376   5.559   3.875
  103   1HG   PRO  17           HG2      PRO  17   1.917   2.998   3.948
  104   2HG   PRO  17           HG1      PRO  17   1.213   3.845   2.563
  105   1HD   PRO  17           HD2      PRO  17   3.843   3.980   3.169
  106   2HD   PRO  17           HD1      PRO  17   2.966   5.320   2.405
  107    H    SER  18           HN       SER  18   3.632   3.659   5.805
  108    HA   SER  18           HA       SER  18   2.455   2.454   8.049
  109   1HB   SER  18           HB2      SER  18   5.416   2.343   7.675
  110   2HB   SER  18           HB1      SER  18   4.285   1.049   8.070
  111    HG   SER  18           HG       SER  18   4.651   0.632   6.008
  112    H    SER  19           HN       SER  19   4.080   5.424   7.813
  113    HA   SER  19           HA       SER  19   4.452   5.453  10.733
  114   1HB   SER  19           HB2      SER  19   6.492   6.536  10.582
  115   2HB   SER  19           HB1      SER  19   6.570   5.483   9.169
  116    HG   SER  19           HG       SER  19   6.436   8.221   9.322
  117    H    THR  20           HN       THR  20   3.190   6.981   7.912
  118    HA   THR  20           HA       THR  20   2.918   9.593   8.502
  119    HB   THR  20           HB       THR  20   0.720   7.813   7.411
  120    HG1  THR  20           HG1      THR  20   2.603   9.262   5.886
  121   1HG2  THR  20          2HG2      THR  20   1.270  10.742   7.174
  122   2HG2  THR  20          1HG2      THR  20   0.190   9.857   6.101
  123   3HG2  THR  20          3HG2      THR  20  -0.165   9.953   7.826
  124    H    LYS  21           HN       LYS  21   2.473  10.455  10.440
  125    HA   LYS  21           HA       LYS  21   0.818   9.269  12.392
  126   1HB   LYS  21           HB2      LYS  21   2.575  11.035  12.804
  127   2HB   LYS  21           HB1      LYS  21   1.448  12.214  12.144
  128   1HG   LYS  21           HG2      LYS  21   0.388  10.499  14.289
  129   2HG   LYS  21           HG1      LYS  21   1.657  11.634  14.760
  130   1HD   LYS  21           HD2      LYS  21   0.277  13.400  13.522
  131   2HD   LYS  21           HD1      LYS  21  -1.031  12.216  13.551
  132   1HE   LYS  21           HE2      LYS  21  -1.298  12.361  15.819
  133   2HE   LYS  21           HE1      LYS  21   0.385  12.808  16.096
  134   1HZ   LYS  21           HZ3      LYS  21  -1.247  14.720  14.626
  135   2HZ   LYS  21           HZ2      LYS  21  -1.606  14.534  16.269
  136   3HZ   LYS  21           HZ1      LYS  21  -0.048  14.988  15.790
  137    H    VAL  22           HN       VAL  22  -1.277   8.899  12.076
  138    HA   VAL  22           HA       VAL  22  -2.855  10.615  10.399
  139    HB   VAL  22           HB       VAL  22  -3.280   7.952  11.706
  140   1HG1  VAL  22          3HG1      VAL  22  -5.352   9.894  10.984
  141   2HG1  VAL  22          2HG1      VAL  22  -5.572   8.298  10.270
  142   3HG1  VAL  22          1HG1      VAL  22  -5.444   8.471  12.020
  143   1HG2  VAL  22          3HG2      VAL  22  -2.111   8.238   9.502
  144   2HG2  VAL  22          2HG2      VAL  22  -3.495   7.145   9.503
  145   3HG2  VAL  22          1HG2      VAL  22  -3.657   8.775   8.847
  146    H    GLU  23           HN       GLU  23  -3.214  12.456  11.472
  147    HA   GLU  23           HA       GLU  23  -4.288  12.368  14.184
  148   1HB   GLU  23           HB2      GLU  23  -4.359  15.020  13.264
  149   2HB   GLU  23           HB1      GLU  23  -3.180  14.315  14.360
  150   1HG   GLU  23           HG2      GLU  23  -1.737  13.763  12.477
  151   2HG   GLU  23           HG1      GLU  23  -2.930  14.421  11.359
  152    H    TYR  24           HN       TYR  24  -5.297  12.130  11.039
  153    HA   TYR  24           HA       TYR  24  -8.037  12.891  11.817
  154   1HB   TYR  24           HB2      TYR  24  -7.012  14.741  10.491
  155   2HB   TYR  24           HB1      TYR  24  -6.840  13.621   9.146
  156    HD1  TYR  24           HD1      TYR  24  -9.045  15.848  10.897
  157    HD2  TYR  24           HD2      TYR  24  -8.932  12.615   8.134
  158    HE1  TYR  24           HE1      TYR  24 -11.331  16.397  10.169
  159    HE2  TYR  24           HE2      TYR  24 -11.220  13.152   7.398
  160    HH   TYR  24           HH       TYR  24 -13.324  14.643   8.881
  161    H    THR  25           HN       THR  25  -9.717  11.862  10.655
  162    HA   THR  25           HA       THR  25  -9.209   9.919   8.642
  163    HB   THR  25           HB       THR  25 -10.041   8.797  11.320
  164    HG1  THR  25           HG1      THR  25  -8.020   8.535  11.760
  165   1HG2  THR  25          3HG2      THR  25  -9.831   7.709   8.615
  166   2HG2  THR  25          2HG2      THR  25  -9.041   6.743   9.865
  167   3HG2  THR  25          1HG2      THR  25 -10.753   7.140  10.007
  168    H    ASP  26           HN       ASP  26 -11.083   9.245   7.644
  169    HA   ASP  26           HA       ASP  26 -13.659   9.637   8.850
  170   1HB   ASP  26           HB2      ASP  26 -12.650  11.906   7.797
  171   2HB   ASP  26           HB1      ASP  26 -13.403  11.224   6.358
  172    H    ALA  27           HN       ALA  27 -14.970   9.937   6.214
  173    HA   ALA  27           HA       ALA  27 -14.894   7.145   5.475
  174   1HB   ALA  27           HB1      ALA  27 -16.925   7.476   4.469
  175   2HB   ALA  27           HB2      ALA  27 -16.541   9.126   3.982
  176   3HB   ALA  27           HB3      ALA  27 -16.950   8.775   5.661
  177    H    SER  28           HN       SER  28 -12.973   9.637   4.640
  178    HA   SER  28           HA       SER  28 -12.744   8.833   1.824
  179   1HB   SER  28           HB2      SER  28 -11.053  11.065   2.608
  180   2HB   SER  28           HB1      SER  28 -12.278  10.979   1.343
  181    HG   SER  28           HG       SER  28 -13.074  12.432   2.749
  182    H    GLY  29           HN       GLY  29 -11.529   7.927   4.686
  183   1HA   GLY  29           HA1      GLY  29  -8.889   7.307   3.521
  184   2HA   GLY  29           HA2      GLY  29  -9.752   6.267   4.649
  185    H    GLN  30           HN       GLN  30  -7.112   7.012   5.136
  186    HA   GLN  30           HA       GLN  30  -7.494   8.618   7.553
  187   1HB   GLN  30           HB2      GLN  30  -5.376   6.657   6.693
  188   2HB   GLN  30           HB1      GLN  30  -5.180   7.686   8.104
  189   1HG   GLN  30           HG2      GLN  30  -7.246   6.717   9.044
  190   2HG   GLN  30           HG1      GLN  30  -7.325   5.629   7.659
  191   1HE2  GLN  30          1HE2      GLN  30  -5.435   4.223   7.326
  192   2HE2  GLN  30          2HE2      GLN  30  -4.620   3.603   8.717
  193    H    TRP  31           HN       TRP  31  -6.215  10.396   8.036
  194    HA   TRP  31           HA       TRP  31  -4.467  11.376   5.882
  195   1HB   TRP  31           HB2      TRP  31  -6.342  13.124   7.480
  196   2HB   TRP  31           HB1      TRP  31  -5.314  13.624   6.145
  197    HD1  TRP  31           HD1      TRP  31  -8.135  10.969   6.575
  198    HE1  TRP  31           HE1      TRP  31  -9.669  11.124   4.515
  199    HE3  TRP  31           HE3      TRP  31  -5.711  14.691   4.049
  200    HZ2  TRP  31           HZ2      TRP  31  -9.826  12.634   2.121
  201    HZ3  TRP  31           HZ3      TRP  31  -6.605  15.424   1.876
  202    HH2  TRP  31           HH2      TRP  31  -8.620  14.426   0.937
  203    H    GLY  32           HN       GLY  32  -2.562  12.247   6.537
  204   1HA   GLY  32           HA1      GLY  32  -1.151  11.673   8.648
  205   2HA   GLY  32           HA2      GLY  32  -2.211  12.865   9.383
  206    H    VAL  33           HN       VAL  33  -0.019  13.821   9.811
  207    HA   VAL  33           HA       VAL  33   0.683  15.613   7.583
  208    HB   VAL  33           HB       VAL  33   1.087  16.049  10.548
  209   1HG1  VAL  33          2HG1      VAL  33   2.830  17.095   9.145
  210   2HG1  VAL  33          1HG1      VAL  33   1.570  17.942   8.247
  211   3HG1  VAL  33          3HG1      VAL  33   1.812  18.285   9.959
  212   1HG2  VAL  33          2HG2      VAL  33  -1.270  16.178   9.839
  213   2HG2  VAL  33          1HG2      VAL  33  -0.642  17.738  10.366
  214   3HG2  VAL  33          3HG2      VAL  33  -0.829  17.400   8.646
  215    H    GLN  34           HN       GLN  34   2.344  14.634   6.555
  216    HA   GLN  34           HA       GLN  34   4.690  13.935   8.195
  217   1HB   GLN  34           HB2      GLN  34   3.393  12.110   6.780
  218   2HB   GLN  34           HB1      GLN  34   4.346  12.784   5.462
  219   1HG   GLN  34           HG2      GLN  34   6.271  11.916   6.228
  220   2HG   GLN  34           HG1      GLN  34   5.835  12.159   7.919
  221   1HE2  GLN  34          1HE2      GLN  34   4.868  10.217   5.118
  222   2HE2  GLN  34          2HE2      GLN  34   4.623   8.749   5.998
  223    H    ASN  35           HN       ASN  35   6.421  15.155   7.866
  224    HA   ASN  35           HA       ASN  35   7.884  16.624   6.933
  225   1HB   ASN  35           HB2      ASN  35   6.780  15.184   4.590
  226   2HB   ASN  35           HB1      ASN  35   7.578  16.717   4.249
  227   1HD2  ASN  35          1HD2      ASN  35   8.306  13.924   3.634
  228   2HD2  ASN  35          2HD2      ASN  35   9.900  13.717   4.268
  229    H    GLY  36           HN       GLY  36   5.422  17.558   7.908
  230   1HA   GLY  36           HA1      GLY  36   5.401  20.187   6.914
  231   2HA   GLY  36           HA2      GLY  36   4.170  19.483   7.953
  232    H    GLN  37           HN       GLN  37   3.642  17.348   5.957
  233    HA   GLN  37           HA       GLN  37   2.035  18.966   4.097
  234   1HB   GLN  37           HB2      GLN  37   3.548  16.419   3.488
  235   2HB   GLN  37           HB1      GLN  37   2.378  17.159   2.403
  236   1HG   GLN  37           HG2      GLN  37   3.751  18.982   1.966
  237   2HG   GLN  37           HG1      GLN  37   4.741  18.700   3.399
  238   1HE2  GLN  37          1HE2      GLN  37   3.695  16.617   0.725
  239   2HE2  GLN  37          2HE2      GLN  37   5.283  16.120   0.262
  240    H    TRP  38           HN       TRP  38  -0.056  18.338   3.809
  241    HA   TRP  38           HA       TRP  38  -1.080  16.284   5.585
  242   1HB   TRP  38           HB2      TRP  38  -2.074  18.622   5.294
  243   2HB   TRP  38           HB1      TRP  38  -2.620  18.084   3.712
  244    HD1  TRP  38           HD1      TRP  38  -5.114  17.838   3.933
  245    HE1  TRP  38           HE1      TRP  38  -6.731  16.649   5.551
  246    HE3  TRP  38           HE3      TRP  38  -1.735  16.216   7.402
  247    HZ2  TRP  38           HZ2      TRP  38  -6.580  15.217   7.978
  248    HZ3  TRP  38           HZ3      TRP  38  -2.554  14.938   9.340
  249    HH2  TRP  38           HH2      TRP  38  -4.927  14.453   9.620
  250    H    CYS  39           HN       CYS  39  -0.757  14.294   4.719
  251    HA   CYS  39           HA       CYS  39  -1.811  13.838   2.011
  252   1HB   CYS  39           HB2      CYS  39   0.133  11.961   2.165
  253   2HB   CYS  39           HB1      CYS  39   0.327  13.517   1.381
  254    H    GLY  40           HN       GLY  40  -2.907  11.965   1.664
  255   1HA   GLY  40           HA1      GLY  40  -4.281  10.216   2.245
  256   2HA   GLY  40           HA2      GLY  40  -4.038  10.665   3.927
  257    H    ILE  41           HN       ILE  41  -4.043   8.349   4.300
  258    HA   ILE  41           HA       ILE  41  -1.334   7.294   4.182
  259    HB   ILE  41           HB       ILE  41  -3.565   5.797   5.455
  260   1HG1  ILE  41          2HG1      ILE  41  -3.987   8.077   6.181
  261   2HG1  ILE  41          1HG1      ILE  41  -3.366   7.110   7.506
  262   1HG2  ILE  41          2HG2      ILE  41  -0.649   6.107   5.839
  263   2HG2  ILE  41          1HG2      ILE  41  -1.657   5.600   7.196
  264   3HG2  ILE  41          3HG2      ILE  41  -1.631   4.646   5.714
  265   1HD1  ILE  41          3HD1      ILE  41  -1.709   8.988   5.849
  266   2HD1  ILE  41          2HD1      ILE  41  -2.437   9.397   7.404
  267   3HD1  ILE  41          1HD1      ILE  41  -1.211   8.129   7.307
  268    H    ASP  42           HN       ASP  42  -0.969   6.474   2.159
  269    HA   ASP  42           HA       ASP  42  -2.783   4.330   1.253
  270   1HB   ASP  42           HB2      ASP  42  -1.468   6.547  -0.231
  271   2HB   ASP  42           HB1      ASP  42  -1.559   4.986  -1.039
  272    H    TYR  43           HN       TYR  43  -1.814   2.474   1.812
  273    HA   TYR  43           HA       TYR  43   1.068   2.209   1.770
  274   1HB   TYR  43           HB2      TYR  43  -0.690  -0.145   2.245
  275   2HB   TYR  43           HB1      TYR  43   0.814   0.312   3.036
  276    HD1  TYR  43           HD1      TYR  43  -2.826   0.810   2.978
  277    HD2  TYR  43           HD2      TYR  43   0.815   1.771   4.957
  278    HE1  TYR  43           HE1      TYR  43  -4.101   1.699   4.882
  279    HE2  TYR  43           HE2      TYR  43  -0.450   2.663   6.865
  280    HH   TYR  43           HH       TYR  43  -3.212   2.035   7.698
  281    H    SER  44           HN       SER  44  -0.930   2.255  -0.712
  282    HA   SER  44           HA       SER  44   0.763   0.566  -2.301
  283   1HB   SER  44           HB2      SER  44  -2.052  -0.208  -2.709
  284   2HB   SER  44           HB1      SER  44  -0.593  -1.197  -2.728
  285    HG   SER  44           HG       SER  44  -2.115  -0.348  -0.504
  286    H    TYR  45           HN       TYR  45   0.473   3.254  -2.529
  287    HA   TYR  45           HA       TYR  45  -1.560   3.827  -4.484
  288   1HB   TYR  45           HB2      TYR  45  -0.975   6.074  -4.330
  289   2HB   TYR  45           HB1      TYR  45  -0.711   5.453  -2.713
  290    HD1  TYR  45           HD1      TYR  45   1.072   6.412  -1.660
  291    HD2  TYR  45           HD2      TYR  45   1.332   5.726  -5.840
  292    HE1  TYR  45           HE1      TYR  45   3.331   7.382  -1.675
  293    HE2  TYR  45           HE2      TYR  45   3.580   6.659  -5.870
  294    HH   TYR  45           HH       TYR  45   4.867   8.422  -4.315
  295    H    GLY  46           HN       GLY  46   1.151   2.116  -4.789
  296   1HA   GLY  46           HA1      GLY  46   1.341   2.813  -7.624
  297   2HA   GLY  46           HA2      GLY  46   1.885   1.313  -6.890
  298    H    GLN  47           HN       GLN  47   3.646   1.822  -5.094
  299    HA   GLN  47           HA       GLN  47   5.522   3.811  -6.156
  300   1HB   GLN  47           HB2      GLN  47   5.456   2.348  -3.509
  301   2HB   GLN  47           HB1      GLN  47   6.729   3.463  -3.994
  302   1HG   GLN  47           HG2      GLN  47   5.445   5.294  -3.670
  303   2HG   GLN  47           HG1      GLN  47   3.959   4.470  -4.144
  304   1HE2  GLN  47          1HE2      GLN  47   5.148   6.049  -1.697
  305   2HE2  GLN  47          2HE2      GLN  47   4.516   5.162  -0.356
  306    H    ASN  48           HN       ASN  48   7.847   3.189  -6.158
  307    HA   ASN  48           HA       ASN  48   8.300   0.956  -7.767
  308   1HB   ASN  48           HB2      ASN  48   9.777   3.133  -6.993
  309   2HB   ASN  48           HB1      ASN  48  10.622   1.816  -6.185
  310   1HD2  ASN  48          1HD2      ASN  48  11.634   0.237  -7.407
  311   2HD2  ASN  48          2HD2      ASN  48  11.948   0.436  -9.095
  312    H    GLN  49           HN       GLN  49   9.928  -0.801  -7.215
  313    HA   GLN  49           HA       GLN  49   8.982  -2.150  -4.817
  314   1HB   GLN  49           HB2      GLN  49   9.080  -3.967  -6.106
  315   2HB   GLN  49           HB1      GLN  49   9.645  -2.969  -7.433
  316   1HG   GLN  49           HG2      GLN  49  11.380  -4.421  -5.441
  317   2HG   GLN  49           HG1      GLN  49  11.058  -4.909  -7.100
  318   1HE2  GLN  49          1HE2      GLN  49  13.581  -4.256  -5.745
  319   2HE2  GLN  49          2HE2      GLN  49  14.306  -3.005  -6.689
  320    H    GLY  50           HN       GLY  50  10.926   0.129  -4.765
  321   1HA   GLY  50           HA1      GLY  50  12.866   0.739  -3.713
  322   2HA   GLY  50           HA2      GLY  50  13.498  -0.853  -4.100
  323    H    ASN  51           HN       ASN  51  10.630  -1.232  -2.427
  324    HA   ASN  51           HA       ASN  51  10.284  -2.262  -0.406
  325   1HB   ASN  51           HB2      ASN  51  12.936  -2.720  -0.689
  326   2HB   ASN  51           HB1      ASN  51  12.947  -1.687   0.736
  327   1HD2  ASN  51          1HD2      ASN  51  10.569  -2.445   1.917
  328   2HD2  ASN  51          2HD2      ASN  51  10.696  -4.085   2.445
  329    H    GLU  52           HN       GLU  52   9.255   0.075  -0.667
  330    HA   GLU  52           HA       GLU  52  10.230   1.915   1.363
  331   1HB   GLU  52           HB2      GLU  52   8.255   2.045  -0.857
  332   2HB   GLU  52           HB1      GLU  52   7.998   3.111   0.517
  333   1HG   GLU  52           HG2      GLU  52  10.591   2.968  -0.993
  334   2HG   GLU  52           HG1      GLU  52   9.289   4.086  -1.398
  335    H    SER  53           HN       SER  53   7.703  -0.441   0.908
  336    HA   SER  53           HA       SER  53   7.006  -0.259   3.702
  337   1HB   SER  53           HB2      SER  53   5.568   1.421   2.256
  338   2HB   SER  53           HB1      SER  53   4.664  -0.040   1.858
  339    HG   SER  53           HG       SER  53   4.166   1.346   3.873
  340    H    CYS  54           HN       CYS  54   5.376  -1.936   4.316
  341    HA   CYS  54           HA       CYS  54   5.399  -4.222   2.474
  342   1HB   CYS  54           HB2      CYS  54   6.666  -5.445   3.845
  343   2HB   CYS  54           HB1      CYS  54   6.900  -4.025   4.850
  344    H    THR  55           HN       THR  55   3.780  -5.928   3.151
  345    HA   THR  55           HA       THR  55   1.284  -4.587   3.801
  346    HB   THR  55           HB       THR  55   1.898  -7.345   2.738
  347    HG1  THR  55           HG1      THR  55   1.878  -6.276   0.951
  348   1HG2  THR  55          1HG2      THR  55  -0.798  -6.108   3.239
  349   2HG2  THR  55          3HG2      THR  55  -0.507  -7.574   2.300
  350   3HG2  THR  55          2HG2      THR  55  -0.130  -7.540   4.023
  351    H    GLY  56           HN       GLY  56  -0.281  -5.690   5.231
  352   1HA   GLY  56           HA1      GLY  56   0.728  -7.559   7.167
  353   2HA   GLY  56           HA2      GLY  56  -0.863  -6.811   7.167
  354    H    ASN  57           HN       ASN  57   0.874  -4.188   6.876
  355    HA   ASN  57           HA       ASN  57   2.013  -3.974   9.509
  356   1HB   ASN  57           HB2      ASN  57   2.175  -1.480   8.806
  357   2HB   ASN  57           HB1      ASN  57   3.181  -2.667   7.988
  358   1HD2  ASN  57          1HD2      ASN  57  -0.255  -2.348   7.358
  359   2HD2  ASN  57          2HD2      ASN  57  -0.089  -1.704   5.768
  360    H    GLY  58           HN       GLY  58  -1.099  -4.106   8.624
  361   1HA   GLY  58           HA1      GLY  58  -3.019  -2.877   9.267
  362   2HA   GLY  58           HA2      GLY  58  -2.011  -1.905  10.327
  363    H    SER  59           HN       SER  59  -1.119  -5.069  10.793
  364    HA   SER  59           HA       SER  59  -2.448  -5.154  13.339
  365   1HB   SER  59           HB2      SER  59  -3.029  -7.523  11.598
  366   2HB   SER  59           HB1      SER  59  -3.882  -6.956  13.035
  367    HG   SER  59           HG       SER  59  -4.322  -6.361  10.437
  368    H    TYR  60           HN       TYR  60  -1.078  -7.568  11.093
  369    HA   TYR  60           HA       TYR  60   0.604  -8.581  13.246
  370   1HB   TYR  60           HB2      TYR  60   0.981  -9.843  10.641
  371   2HB   TYR  60           HB1      TYR  60   0.531 -10.562  12.182
  372    HD1  TYR  60           HD1      TYR  60  -0.703  -9.127   9.054
  373    HD2  TYR  60           HD2      TYR  60  -1.812 -10.882  12.765
  374    HE1  TYR  60           HE1      TYR  60  -2.983  -9.469   8.200
  375    HE2  TYR  60           HE2      TYR  60  -4.098 -11.230  11.925
  376    HH   TYR  60           HH       TYR  60  -5.248  -9.776   9.069
  377    HA   PRO  61           HA       PRO  61   4.374  -6.967  11.553
  378   1HB   PRO  61           HB2      PRO  61   6.180  -8.898  11.828
  379   2HB   PRO  61           HB1      PRO  61   5.320  -8.263  13.236
  380   1HG   PRO  61           HG2      PRO  61   4.896 -10.813  11.746
  381   2HG   PRO  61           HG1      PRO  61   4.774 -10.495  13.485
  382   1HD   PRO  61           HD2      PRO  61   2.640 -10.608  11.666
  383   2HD   PRO  61           HD1      PRO  61   2.577  -9.951  13.312
  384    H    CYS  62           HN       CYS  62   6.234  -7.236  10.011
  385    HA   CYS  62           HA       CYS  62   5.278  -7.868   7.399
  386   1HB   CYS  62           HB2      CYS  62   7.923  -6.957   8.512
  387   2HB   CYS  62           HB1      CYS  62   7.739  -7.361   6.812
  388    H    CYS  63           HN       CYS  63   6.432  -9.333   5.884
  389    HA   CYS  63           HA       CYS  63   7.101 -11.834   7.246
  390   1HB   CYS  63           HB2      CYS  63   5.707 -11.142   4.814
  391   2HB   CYS  63           HB1      CYS  63   7.018 -12.257   4.464
  392    H    ASN  64           HN       ASN  64   8.173 -10.365   4.217
  393    HA   ASN  64           HA       ASN  64  10.394  -9.569   3.820
  394   1HB   ASN  64           HB2      ASN  64  11.154 -10.266   6.121
  395   2HB   ASN  64           HB1      ASN  64  11.362 -11.897   5.490
  396   1HD2  ASN  64          1HD2      ASN  64  12.886 -12.206   3.766
  397   2HD2  ASN  64          2HD2      ASN  64  14.255 -11.161   3.636
  398    H    THR  65           HN       THR  65   8.755 -12.480   3.498
  399    HA   THR  65           HA       THR  65  10.558 -13.510   1.441
  400    HB   THR  65           HB       THR  65   9.663 -15.052   3.172
  401    HG1  THR  65           HG1      THR  65  10.186 -15.854   1.093
  402   1HG2  THR  65          2HG2      THR  65   7.388 -13.902   3.269
  403   2HG2  THR  65          1HG2      THR  65   6.994 -14.854   1.835
  404   3HG2  THR  65          3HG2      THR  65   7.427 -15.665   3.341
  405    H    CYS  66           HN       CYS  66   9.864 -13.862  -0.694
  406    HA   CYS  66           HA       CYS  66   7.663 -12.120  -1.508
  407   1HB   CYS  66           HB2      CYS  66   9.625 -13.513  -3.328
  408   2HB   CYS  66           HB1      CYS  66   8.606 -12.126  -3.696
  409    H    GLN  67           HN       GLN  67   7.260 -14.746  -0.268
  410    HA   GLN  67           HA       GLN  67   5.951 -16.182  -2.473
  411   1HB   GLN  67           HB2      GLN  67   7.318 -17.779  -1.539
  412   2HB   GLN  67           HB1      GLN  67   7.268 -17.048   0.054
  413   1HG   GLN  67           HG2      GLN  67   4.678 -18.090  -0.683
  414   2HG   GLN  67           HG1      GLN  67   5.926 -19.325  -0.808
  415   1HE2  GLN  67          1HE2      GLN  67   5.894 -16.604   1.425
  416   2HE2  GLN  67          2HE2      GLN  67   5.773 -17.552   2.864
  417    H    ALA  68           HN       ALA  68   4.055 -15.011  -2.538
  418    HA   ALA  68           HA       ALA  68   2.516 -14.597  -0.130
  419   1HB   ALA  68           HB2      ALA  68   2.588 -13.453  -2.766
  420   2HB   ALA  68           HB1      ALA  68   0.939 -13.895  -2.318
  421   3HB   ALA  68           HB3      ALA  68   1.878 -12.822  -1.282
  422    H    THR  69           HN       THR  69   1.887 -16.550   0.567
  423    HA   THR  69           HA       THR  69   0.775 -18.566  -1.096
  424    HB   THR  69           HB       THR  69   1.630 -19.533   0.786
  425    HG1  THR  69           HG1      THR  69  -0.947 -18.981   1.816
  426   1HG2  THR  69          3HG2      THR  69   0.654 -17.149   2.317
  427   2HG2  THR  69          2HG2      THR  69   1.249 -18.613   3.106
  428   3HG2  THR  69          1HG2      THR  69   2.315 -17.684   2.047
  429    H    TYR  70           HN       TYR  70  -0.553 -15.759   0.439
  430    HA   TYR  70           HA       TYR  70  -3.123 -16.373  -0.725
  431   1HB   TYR  70           HB2      TYR  70  -4.366 -16.720   1.150
  432   2HB   TYR  70           HB1      TYR  70  -2.833 -17.332   1.755
  433    HD1  TYR  70           HD1      TYR  70  -4.846 -14.190   1.611
  434    HD2  TYR  70           HD2      TYR  70  -1.987 -16.504   3.750
  435    HE1  TYR  70           HE1      TYR  70  -4.957 -12.593   3.474
  436    HE2  TYR  70           HE2      TYR  70  -2.087 -14.910   5.618
  437    HH   TYR  70           HH       TYR  70  -2.701 -12.604   6.041
  438    H    THR  71           HN       THR  71  -4.309 -14.589  -1.199
  439    HA   THR  71           HA       THR  71  -3.251 -11.996  -0.280
  440    HB   THR  71           HB       THR  71  -4.303 -12.726  -3.018
  441    HG1  THR  71           HG1      THR  71  -2.210 -13.211  -3.026
  442   1HG2  THR  71          3HG2      THR  71  -4.978 -10.417  -2.180
  443   2HG2  THR  71          2HG2      THR  71  -3.258 -10.029  -2.247
  444   3HG2  THR  71          1HG2      THR  71  -4.111 -10.509  -3.714
  445    H    ASP  72           HN       ASP  72  -4.686 -10.560   0.486
  446    HA   ASP  72           HA       ASP  72  -7.533 -11.279   0.301
  447   1HB   ASP  72           HB2      ASP  72  -5.934 -11.081   2.613
  448   2HB   ASP  72           HB1      ASP  72  -6.966  -9.654   2.616
  449    H    GLY  73           HN       GLY  73  -8.606  -9.039   1.489
  450   1HA   GLY  73           HA1      GLY  73  -9.420  -6.990   0.852
  451   2HA   GLY  73           HA2      GLY  73  -8.588  -7.206  -0.678
  452    H    ASP  74           HN       ASP  74  -6.267  -7.558   1.671
  453    HA   ASP  74           HA       ASP  74  -5.657  -4.675   1.607
  454   1HB   ASP  74           HB2      ASP  74  -5.586  -6.644   3.781
  455   2HB   ASP  74           HB1      ASP  74  -4.120  -5.677   3.653
  456    H    GLY  75           HN       GLY  75  -4.898  -7.242  -0.066
  457   1HA   GLY  75           HA1      GLY  75  -2.023  -6.578  -0.161
  458   2HA   GLY  75           HA2      GLY  75  -2.982  -7.001  -1.573
  459    H    ASP  76           HN       ASP  76  -0.727  -8.376  -1.258
  460    HA   ASP  76           HA       ASP  76  -1.675 -11.053  -0.939
  461   1HB   ASP  76           HB2      ASP  76   1.242 -10.397  -1.149
  462   2HB   ASP  76           HB1      ASP  76   0.350 -11.746  -1.841
  463    H    TRP  77           HN       TRP  77  -0.335 -12.652   0.366
  464    HA   TRP  77           HA       TRP  77   0.759 -11.615   2.839
  465   1HB   TRP  77           HB2      TRP  77  -1.672 -13.413   2.871
  466   2HB   TRP  77           HB1      TRP  77  -0.789 -12.832   4.279
  467    HD1  TRP  77           HD1      TRP  77  -3.214 -11.610   1.559
  468    HE1  TRP  77           HE1      TRP  77  -4.292  -9.420   2.355
  469    HE3  TRP  77           HE3      TRP  77  -0.453 -10.840   5.791
  470    HZ2  TRP  77           HZ2      TRP  77  -4.014  -7.608   4.488
  471    HZ3  TRP  77           HZ3      TRP  77  -0.927  -8.847   7.154
  472    HH2  TRP  77           HH2      TRP  77  -2.671  -7.264   6.515
  473    H    ALA  78           HN       ALA  78   1.691 -13.308   4.195
  474    HA   ALA  78           HA       ALA  78   2.015 -15.914   2.994
  475   1HB   ALA  78           HB1      ALA  78   4.405 -14.119   3.360
  476   2HB   ALA  78           HB3      ALA  78   4.438 -15.805   2.845
  477   3HB   ALA  78           HB2      ALA  78   3.688 -14.584   1.816
  478    H    PHE  79           HN       PHE  79   3.090 -17.434   4.354
  479    HA   PHE  79           HA       PHE  79   2.925 -16.709   7.197
  480   1HB   PHE  79           HB2      PHE  79   1.513 -18.600   6.416
  481   2HB   PHE  79           HB1      PHE  79   2.970 -19.456   5.922
  482    HD1  PHE  79           HD1      PHE  79   3.384 -21.224   7.318
  483    HD2  PHE  79           HD2      PHE  79   2.011 -17.561   8.993
  484    HE1  PHE  79           HE1      PHE  79   3.580 -22.186   9.575
  485    HE2  PHE  79           HE2      PHE  79   2.205 -18.516  11.252
  486    HZ   PHE  79           HZ       PHE  79   2.991 -20.831  11.545
  487    H    GLU  80           HN       GLU  80   4.853 -16.075   7.952
  488    HA   GLU  80           HA       GLU  80   7.155 -17.820   7.451
  489   1HB   GLU  80           HB2      GLU  80   7.490 -16.069   5.877
  490   2HB   GLU  80           HB1      GLU  80   7.037 -14.837   7.043
  491   1HG   GLU  80           HG2      GLU  80   9.396 -14.768   6.698
  492   2HG   GLU  80           HG1      GLU  80   9.072 -15.350   8.330
  493    H    ASN  81           HN       ASN  81   8.733 -17.829   9.081
  494    HA   ASN  81           HA       ASN  81   9.450 -17.847  11.239
  495   1HB   ASN  81           HB2      ASN  81   8.205 -15.090  11.198
  496   2HB   ASN  81           HB1      ASN  81   9.240 -15.694  12.489
  497   1HD2  ASN  81          1HD2      ASN  81  11.228 -16.944  11.231
  498   2HD2  ASN  81          2HD2      ASN  81  12.104 -15.857  10.213
  499    H    GLY  82           HN       GLY  82   6.792 -18.900  10.619
  500   1HA   GLY  82           HA1      GLY  82   5.921 -19.492  13.223
  501   2HA   GLY  82           HA2      GLY  82   5.016 -19.809  11.750
  502    H    ASN  83           HN       ASN  83   4.913 -17.003  10.960
  503    HA   ASN  83           HA       ASN  83   2.723 -16.210  12.718
  504   1HB   ASN  83           HB2      ASN  83   3.530 -13.908  12.900
  505   2HB   ASN  83           HB1      ASN  83   4.689 -15.031  13.602
  506   1HD2  ASN  83          1HD2      ASN  83   6.576 -14.046  13.325
  507   2HD2  ASN  83          2HD2      ASN  83   7.204 -13.498  11.811
  508    H    TRP  84           HN       TRP  84   1.244 -14.730  11.765
  509    HA   TRP  84           HA       TRP  84   1.114 -14.992   8.880
  510   1HB   TRP  84           HB2      TRP  84  -0.777 -14.246  11.049
  511   2HB   TRP  84           HB1      TRP  84  -1.085 -13.566   9.454
  512    HD1  TRP  84           HD1      TRP  84  -2.445 -16.175  11.310
  513    HE1  TRP  84           HE1      TRP  84  -3.123 -18.220   9.900
  514    HE3  TRP  84           HE3      TRP  84   0.258 -15.183   7.084
  515    HZ2  TRP  84           HZ2      TRP  84  -2.585 -19.273   7.337
  516    HZ3  TRP  84           HZ3      TRP  84   0.121 -16.759   5.200
  517    HH2  TRP  84           HH2      TRP  84  -1.271 -18.761   5.325
  518    H    CYS  85           HN       CYS  85   2.644 -13.636   8.039
  519    HA   CYS  85           HA       CYS  85   2.423 -10.779   8.699
  520   1HB   CYS  85           HB2      CYS  85   4.674 -10.844   7.242
  521   2HB   CYS  85           HB1      CYS  85   4.658 -11.114   8.979
  522    H    GLY  86           HN       GLY  86   2.920  -9.287   6.804
  523   1HA   GLY  86           HA1      GLY  86   1.597  -8.526   4.966
  524   2HA   GLY  86           HA2      GLY  86   1.286 -10.200   4.535
  525    H    ILE  87           HN       ILE  87   1.913  -9.373   2.357
  526    HA   ILE  87           HA       ILE  87   4.691  -9.993   1.906
  527    HB   ILE  87           HB       ILE  87   2.376  -9.467   0.071
  528   1HG1  ILE  87          2HG1      ILE  87   2.288 -11.702   0.521
  529   2HG1  ILE  87          1HG1      ILE  87   3.448 -11.747  -0.798
  530   1HG2  ILE  87          1HG2      ILE  87   5.278  -9.643  -0.709
  531   2HG2  ILE  87          3HG2      ILE  87   3.945  -9.887  -1.836
  532   3HG2  ILE  87          2HG2      ILE  87   4.149  -8.330  -1.035
  533   1HD1  ILE  87          2HD1      ILE  87   5.218 -11.606   1.072
  534   2HD1  ILE  87          1HD1      ILE  87   3.898 -12.123   2.122
  535   3HD1  ILE  87          3HD1      ILE  87   4.394 -13.133   0.765
  536    H    LYS  88           HN       LYS  88   6.182  -8.745   0.880
  537    HA   LYS  88           HA       LYS  88   6.117  -5.964   1.591
  538   1HB   LYS  88           HB2      LYS  88   8.273  -7.240  -0.055
  539   2HB   LYS  88           HB1      LYS  88   8.406  -5.957   1.139
  540   1HG   LYS  88           HG2      LYS  88   7.518  -8.639   2.072
  541   2HG   LYS  88           HG1      LYS  88   9.212  -8.419   1.638
  542   1HD   LYS  88           HD2      LYS  88   9.567  -7.515   3.636
  543   2HD   LYS  88           HD1      LYS  88   8.518  -6.177   3.177
  544   1HE   LYS  88           HE2      LYS  88   7.921  -8.583   4.826
  545   2HE   LYS  88           HE1      LYS  88   7.532  -6.893   5.119
  546   1HZ   LYS  88           HZ2      LYS  88   5.957  -7.114   3.177
  547   2HZ   LYS  88           HZ1      LYS  88   6.167  -8.786   3.305
  548   3HZ   LYS  88           HZ3      LYS  88   5.516  -7.913   4.598
  549    H    ASN  89           HN       ASN  89   6.071  -4.208   0.253
  550    HA   ASN  89           HA       ASN  89   4.696  -4.428  -2.188
  551   1HB   ASN  89           HB2      ASN  89   4.762  -2.106  -2.283
  552   2HB   ASN  89           HB1      ASN  89   4.950  -2.401  -0.558
  553   1HD2  ASN  89          1HD2      ASN  89   7.563  -3.059  -0.337
  554   2HD2  ASN  89          2HD2      ASN  89   8.554  -1.728  -0.808
  555    H    SER  90           HN       SER  90   7.936  -4.999  -1.461
  556    HA   SER  90           HA       SER  90   8.975  -4.302  -4.077
  557   1HB   SER  90           HB2      SER  90  10.187  -5.458  -1.568
  558   2HB   SER  90           HB1      SER  90  11.089  -5.362  -3.081
  559    HG   SER  90           HG       SER  90  11.412  -3.337  -2.683
  560    H    CYS  91           HN       CYS  91   8.194  -7.164  -2.171
  561    HA   CYS  91           HA       CYS  91   9.157  -9.044  -4.083
  562   1HB   CYS  91           HB2      CYS  91   7.384  -9.267  -1.660
  563   2HB   CYS  91           HB1      CYS  91   7.718 -10.651  -2.693
  564    H    LYS  92           HN       LYS  92   7.905  -7.621  -5.756
  565    HA   LYS  92           HA       LYS  92   5.508  -9.134  -6.456
  566   1HB   LYS  92           HB2      LYS  92   4.686  -6.747  -7.326
  567   2HB   LYS  92           HB1      LYS  92   4.301  -7.349  -5.720
  568   1HG   LYS  92           HG2      LYS  92   5.452  -5.729  -4.723
  569   2HG   LYS  92           HG1      LYS  92   6.838  -5.936  -5.792
  570   1HD   LYS  92           HD2      LYS  92   6.142  -3.781  -6.279
  571   2HD   LYS  92           HD1      LYS  92   5.360  -4.733  -7.545
  572   1HE   LYS  92           HE2      LYS  92   3.480  -3.698  -6.907
  573   2HE   LYS  92           HE1      LYS  92   3.504  -4.809  -5.537
  574   1HZ   LYS  92           HZ3      LYS  92   4.984  -2.274  -5.368
  575   2HZ   LYS  92           HZ2      LYS  92   3.309  -2.269  -5.141
  576   3HZ   LYS  92           HZ1      LYS  92   4.296  -3.197  -4.129
  577    H    GLN  93           HN       GLN  93   7.238  -6.305  -7.703
  578    HA   GLN  93           HA       GLN  93   8.221  -7.803  -9.975
  579   1HB   GLN  93           HB2      GLN  93   6.116  -5.669 -10.218
  580   2HB   GLN  93           HB1      GLN  93   7.237  -5.989 -11.533
  581   1HG   GLN  93           HG2      GLN  93   5.405  -8.031 -10.297
  582   2HG   GLN  93           HG1      GLN  93   5.080  -7.146 -11.786
  583   1HE2  GLN  93          1HE2      GLN  93   7.184  -9.494 -10.257
  584   2HE2  GLN  93          2HE2      GLN  93   7.751 -10.222 -11.718
  585    H    GLN  94           HN       GLN  94  10.215  -7.109 -10.419
  586    HA   GLN  94           HA       GLN  94  11.411  -4.997  -9.038
  587   1HB   GLN  94           HB2      GLN  94  12.514  -5.969 -11.647
  588   2HB   GLN  94           HB1      GLN  94  13.378  -5.465 -10.205
  589   1HG   GLN  94           HG2      GLN  94  13.580  -7.587  -9.635
  590   2HG   GLN  94           HG1      GLN  94  11.831  -7.671  -9.441
  591   1HE2  GLN  94          1HE2      GLN  94  14.505  -8.244 -11.610
  592   2HE2  GLN  94          2HE2      GLN  94  13.666  -9.308 -12.681
  593    HA   PRO  95           HA       PRO  95  11.086  -2.417 -13.129
  594   1HB   PRO  95           HB2      PRO  95   9.261  -3.272 -14.947
  595   2HB   PRO  95           HB1      PRO  95  10.945  -3.815 -14.958
  596   1HG   PRO  95           HG2      PRO  95   8.539  -5.169 -13.771
  597   2HG   PRO  95           HG1      PRO  95   9.790  -5.858 -14.825
  598   1HD   PRO  95           HD2      PRO  95   9.851  -6.220 -12.194
  599   2HD   PRO  95           HD1      PRO  95  11.346  -5.944 -13.110
  600    H    GLN  96           HN       GLN  96   9.809  -1.901 -10.845
  601    HA   GLN  96           HA       GLN  96   6.976  -1.521 -11.281
  602   1HB   GLN  96           HB2      GLN  96   8.860  -1.021  -9.009
  603   2HB   GLN  96           HB1      GLN  96   7.293  -0.223  -9.020
  604   1HG   GLN  96           HG2      GLN  96   7.221  -3.104  -9.563
  605   2HG   GLN  96           HG1      GLN  96   7.774  -2.657  -7.950
  606   1HE2  GLN  96          1HE2      GLN  96   5.109  -3.074  -9.986
  607   2HE2  GLN  96          2HE2      GLN  96   3.890  -2.469  -8.922
  608    H    ASN  97           HN       ASN  97   5.929   0.555 -11.178
  609    HA   ASN  97           HA       ASN  97   5.610   2.710 -11.831
  610   1HB   ASN  97           HB2      ASN  97   7.188   3.229 -10.011
  611   2HB   ASN  97           HB1      ASN  97   8.537   3.028 -11.126
  612   1HD2  ASN  97          1HD2      ASN  97   9.045   4.638 -12.530
  613   2HD2  ASN  97          2HD2      ASN  97   8.284   6.190 -12.523
  614    H    ASN  98           HN       ASN  98   5.448   1.515 -13.961
  615    HA   ASN  98           HA       ASN  98   7.608   2.228 -15.810
  616   1HB   ASN  98           HB2      ASN  98   6.483   0.694 -17.391
  617   2HB   ASN  98           HB1      ASN  98   6.905  -0.104 -15.879
  618   1HD2  ASN  98          1HD2      ASN  98   5.378  -1.212 -14.886
  619   2HD2  ASN  98          2HD2      ASN  98   3.683  -1.098 -15.197
  620    H    ASN  99           HN       ASN  99   6.943   2.998 -17.991
  621    HA   ASN  99           HA       ASN  99   5.245   5.285 -17.723
  622   1HB   ASN  99           HB2      ASN  99   7.394   4.781 -19.259
  623   2HB   ASN  99           HB1      ASN  99   6.123   4.417 -20.422
  624   1HD2  ASN  99          1HD2      ASN  99   4.240   6.177 -20.106
  625   2HD2  ASN  99          2HD2      ASN  99   4.812   7.800 -20.259
  626    H    GLN 100           HN       GLN 100   3.202   4.358 -17.251
  627    HA   GLN 100           HA       GLN 100   1.106   3.628 -17.746
  628   1HB   GLN 100           HB2      GLN 100   1.895   4.081 -20.628
  629   2HB   GLN 100           HB1      GLN 100   0.263   4.026 -19.975
  630   1HG   GLN 100           HG2      GLN 100   0.776   6.043 -18.639
  631   2HG   GLN 100           HG1      GLN 100   2.353   6.120 -19.428
  632   1HE2  GLN 100          1HE2      GLN 100   2.234   6.104 -21.868
  633   2HE2  GLN 100          2HE2      GLN 100   1.015   7.090 -22.589

  No H/Q in entry =         633
  Start of MODEL    5
    1    H1   ALA   1           HT2      ALA   1   5.378   5.132  -7.949
    2    H2   ALA   1           HT1      ALA   1   6.314   3.765  -7.500
    3    H3   ALA   1           HT3      ALA   1   4.616   3.756  -7.260
    4    HA   ALA   1           HA       ALA   1   5.436   4.152  -5.195
    5   1HB   ALA   1           HB1      ALA   1   7.208   6.398  -5.911
    6   2HB   ALA   1           HB2      ALA   1   7.743   4.794  -6.415
    7   3HB   ALA   1           HB3      ALA   1   7.417   5.120  -4.713
    8    H    MET   2           HN       MET   2   3.320   5.246  -6.820
    9    HA   MET   2           HA       MET   2   2.443   7.302  -5.086
   10   1HB   MET   2           HB2      MET   2   2.211   9.048  -6.957
   11   2HB   MET   2           HB1      MET   2   3.778   8.862  -6.181
   12   1HG   MET   2           HG2      MET   2   4.529   7.474  -8.051
   13   2HG   MET   2           HG1      MET   2   2.966   7.698  -8.834
   14   1HE   MET   2           HE2      MET   2   3.050  10.825  -7.270
   15   2HE   MET   2           HE1      MET   2   3.364  11.846  -8.675
   16   3HE   MET   2           HE3      MET   2   2.115  10.603  -8.750
   17    H    ALA   3           HN       ALA   3   0.507   6.413  -4.870
   18    HA   ALA   3           HA       ALA   3  -1.371   6.554  -7.055
   19   1HB   ALA   3           HB2      ALA   3  -1.659   4.367  -7.515
   20   2HB   ALA   3           HB3      ALA   3  -1.450   3.885  -5.830
   21   3HB   ALA   3           HB1      ALA   3  -0.037   4.189  -6.842
   22    H    CYS   4           HN       CYS   4  -0.982   7.739  -4.436
   23    HA   CYS   4           HA       CYS   4  -2.585   6.656  -2.447
   24   1HB   CYS   4           HB2      CYS   4  -2.732   9.010  -1.588
   25   2HB   CYS   4           HB1      CYS   4  -1.095   8.455  -1.920
   26    H    TRP   5           HN       TRP   5  -4.686   7.037  -1.778
   27    HA   TRP   5           HA       TRP   5  -6.575   7.428  -3.925
   28   1HB   TRP   5           HB2      TRP   5  -8.252   6.963  -2.051
   29   2HB   TRP   5           HB1      TRP   5  -7.135   5.663  -2.455
   30    HD1  TRP   5           HD1      TRP   5  -5.670   4.742  -0.535
   31    HE1  TRP   5           HE1      TRP   5  -5.321   5.349   1.943
   32    HE3  TRP   5           HE3      TRP   5  -8.224   9.130  -0.447
   33    HZ2  TRP   5           HZ2      TRP   5  -6.050   7.439   3.704
   34    HZ3  TRP   5           HZ3      TRP   5  -8.363  10.389   1.665
   35    HH2  TRP   5           HH2      TRP   5  -7.297   9.558   3.699
   36    H    ALA   6           HN       ALA   6  -5.180   9.328  -1.432
   37    HA   ALA   6           HA       ALA   6  -7.282  11.183  -1.032
   38   1HB   ALA   6           HB2      ALA   6  -4.324  11.648  -0.681
   39   2HB   ALA   6           HB1      ALA   6  -5.638  12.559   0.060
   40   3HB   ALA   6           HB3      ALA   6  -5.368  10.877   0.512
   41    H    GLN   7           HN       GLN   7  -4.663  10.964  -3.369
   42    HA   GLN   7           HA       GLN   7  -4.799  13.579  -4.380
   43   1HB   GLN   7           HB2      GLN   7  -3.678  12.685  -6.370
   44   2HB   GLN   7           HB1      GLN   7  -2.938  12.088  -4.891
   45   1HG   GLN   7           HG2      GLN   7  -3.148  10.039  -5.682
   46   2HG   GLN   7           HG1      GLN   7  -4.898  10.214  -5.549
   47   1HE2  GLN   7          1HE2      GLN   7  -2.153  10.328  -7.675
   48   2HE2  GLN   7          2HE2      GLN   7  -3.042  10.309  -9.157
   49    H    SER   8           HN       SER   8  -6.770  10.761  -4.949
   50    HA   SER   8           HA       SER   8  -7.994  11.436  -7.349
   51   1HB   SER   8           HB2      SER   8  -8.248   9.324  -5.812
   52   2HB   SER   8           HB1      SER   8  -9.606  10.221  -5.132
   53    HG   SER   8           HG       SER   8  -9.277   9.740  -7.907
   54    H    GLN   9           HN       GLN   9  -8.344  12.830  -4.205
   55    HA   GLN   9           HA       GLN   9 -10.726  14.321  -5.026
   56   1HB   GLN   9           HB2      GLN   9  -9.407  14.371  -2.315
   57   2HB   GLN   9           HB1      GLN   9 -11.038  14.877  -2.730
   58   1HG   GLN   9           HG2      GLN   9 -11.076  12.276  -3.506
   59   2HG   GLN   9           HG1      GLN   9  -9.984  12.215  -2.124
   60   1HE2  GLN   9          1HE2      GLN   9 -10.839  12.156  -0.159
   61   2HE2  GLN   9          2HE2      GLN   9 -12.497  12.456   0.226
   62    H    GLY  10           HN       GLY  10  -7.329  14.692  -4.323
   63   1HA   GLY  10           HA1      GLY  10  -7.547  17.611  -4.437
   64   2HA   GLY  10           HA2      GLY  10  -6.647  16.814  -5.716
   65    H    TYR  11           HN       TYR  11  -6.586  15.531  -2.482
   66    HA   TYR  11           HA       TYR  11  -4.361  16.962  -1.507
   67   1HB   TYR  11           HB2      TYR  11  -5.660  14.357  -0.781
   68   2HB   TYR  11           HB1      TYR  11  -4.147  14.828  -0.015
   69    HD1  TYR  11           HD1      TYR  11  -7.692  15.745  -0.465
   70    HD2  TYR  11           HD2      TYR  11  -4.090  16.533   1.658
   71    HE1  TYR  11           HE1      TYR  11  -8.946  17.125   1.138
   72    HE2  TYR  11           HE2      TYR  11  -5.333  17.913   3.269
   73    HH   TYR  11           HH       TYR  11  -7.850  19.299   2.946
   74    H    ASN  12           HN       ASN  12  -2.460  15.166  -0.699
   75    HA   ASN  12           HA       ASN  12  -1.397  14.087  -3.226
   76   1HB   ASN  12           HB2      ASN  12   0.306  15.361  -1.085
   77   2HB   ASN  12           HB1      ASN  12   0.787  14.898  -2.715
   78   1HD2  ASN  12          1HD2      ASN  12  -0.763  17.264  -0.750
   79   2HD2  ASN  12          2HD2      ASN  12  -0.960  18.466  -1.975
   80    H    CYS  13           HN       CYS  13   0.462  12.543  -2.827
   81    HA   CYS  13           HA       CYS  13  -0.427  10.506  -1.018
   82   1HB   CYS  13           HB2      CYS  13   2.087  10.535  -2.682
   83   2HB   CYS  13           HB1      CYS  13   1.235   9.136  -2.051
   84    H    CYS  14           HN       CYS  14   0.563   9.752   0.808
   85    HA   CYS  14           HA       CYS  14   2.627  11.489   1.959
   86   1HB   CYS  14           HB2      CYS  14   0.308  10.220   3.031
   87   2HB   CYS  14           HB1      CYS  14   1.726   9.559   3.834
   88    H    ASN  15           HN       ASN  15   4.627  10.811   1.695
   89    HA   ASN  15           HA       ASN  15   5.392   8.233   0.940
   90   1HB   ASN  15           HB2      ASN  15   7.588   9.019   1.059
   91   2HB   ASN  15           HB1      ASN  15   6.640  10.470   0.755
   92   1HD2  ASN  15          1HD2      ASN  15   8.550   8.725   3.064
   93   2HD2  ASN  15          2HD2      ASN  15   8.730  10.017   4.197
   94    H    ASN  16           HN       ASN  16   5.302   6.425   2.084
   95    HA   ASN  16           HA       ASN  16   5.603   4.928   3.761
   96   1HB   ASN  16           HB2      ASN  16   7.433   5.319   4.982
   97   2HB   ASN  16           HB1      ASN  16   7.425   6.978   4.408
   98   1HD2  ASN  16          1HD2      ASN  16   6.810   8.600   5.767
   99   2HD2  ASN  16          2HD2      ASN  16   6.511   8.363   7.453
  100    HA   PRO  17           HA       PRO  17   1.669   6.774   5.509
  101   1HB   PRO  17           HB2      PRO  17   0.007   4.904   4.449
  102   2HB   PRO  17           HB1      PRO  17   0.450   6.392   3.606
  103   1HG   PRO  17           HG2      PRO  17   1.551   3.631   3.279
  104   2HG   PRO  17           HG1      PRO  17   1.141   4.826   2.037
  105   1HD   PRO  17           HD2      PRO  17   3.683   4.387   2.859
  106   2HD   PRO  17           HD1      PRO  17   3.114   5.978   2.317
  107    H    SER  18           HN       SER  18   3.326   3.766   5.540
  108    HA   SER  18           HA       SER  18   1.661   2.381   7.382
  109   1HB   SER  18           HB2      SER  18   3.626   1.551   5.794
  110   2HB   SER  18           HB1      SER  18   4.584   1.802   7.253
  111    HG   SER  18           HG       SER  18   2.288   0.156   6.982
  112    H    SER  19           HN       SER  19   3.733   5.022   7.749
  113    HA   SER  19           HA       SER  19   3.787   4.608  10.663
  114   1HB   SER  19           HB2      SER  19   6.043   4.529   9.182
  115   2HB   SER  19           HB1      SER  19   5.945   6.263   9.484
  116    HG   SER  19           HG       SER  19   5.618   5.577  11.772
  117    H    THR  20           HN       THR  20   2.960   6.599   8.032
  118    HA   THR  20           HA       THR  20   3.148   9.164   8.846
  119    HB   THR  20           HB       THR  20   0.882   7.742   7.437
  120    HG1  THR  20           HG1      THR  20   1.912   8.731   5.618
  121   1HG2  THR  20          2HG2      THR  20   1.354  10.665   7.823
  122   2HG2  THR  20          1HG2      THR  20   0.398  10.008   6.496
  123   3HG2  THR  20          3HG2      THR  20  -0.100   9.728   8.164
  124    H    LYS  21           HN       LYS  21   2.290  10.442  10.374
  125    HA   LYS  21           HA       LYS  21   0.776   9.303  12.506
  126   1HB   LYS  21           HB2      LYS  21   2.359  11.098  12.947
  127   2HB   LYS  21           HB1      LYS  21   1.473  12.180  11.881
  128   1HG   LYS  21           HG2      LYS  21   0.858  12.810  14.049
  129   2HG   LYS  21           HG1      LYS  21  -0.502  11.862  13.443
  130   1HD   LYS  21           HD2      LYS  21   0.408   9.882  14.618
  131   2HD   LYS  21           HD1      LYS  21   1.681  10.903  15.291
  132   1HE   LYS  21           HE2      LYS  21  -1.209  11.604  15.654
  133   2HE   LYS  21           HE1      LYS  21  -0.425  10.431  16.711
  134   1HZ   LYS  21           HZ3      LYS  21   1.246  12.140  17.234
  135   2HZ   LYS  21           HZ2      LYS  21   0.384  13.258  16.303
  136   3HZ   LYS  21           HZ1      LYS  21  -0.316  12.601  17.695
  137    H    VAL  22           HN       VAL  22  -1.321   8.840  12.324
  138    HA   VAL  22           HA       VAL  22  -2.983  10.276  10.462
  139    HB   VAL  22           HB       VAL  22  -3.225   7.728  12.003
  140   1HG1  VAL  22          3HG1      VAL  22  -5.498   9.419  11.075
  141   2HG1  VAL  22          2HG1      VAL  22  -5.624   7.664  10.957
  142   3HG1  VAL  22          1HG1      VAL  22  -5.355   8.425  12.524
  143   1HG2  VAL  22          1HG2      VAL  22  -3.496   8.545   9.131
  144   2HG2  VAL  22          3HG2      VAL  22  -2.278   7.501   9.862
  145   3HG2  VAL  22          2HG2      VAL  22  -3.944   6.942   9.717
  146    H    GLU  23           HN       GLU  23  -3.409  12.214  11.331
  147    HA   GLU  23           HA       GLU  23  -4.587  12.326  14.014
  148   1HB   GLU  23           HB2      GLU  23  -4.457  14.885  13.454
  149   2HB   GLU  23           HB1      GLU  23  -3.002  14.024  13.935
  150   1HG   GLU  23           HG2      GLU  23  -2.204  13.936  11.715
  151   2HG   GLU  23           HG1      GLU  23  -3.759  14.443  11.058
  152    H    TYR  24           HN       TYR  24  -5.452  11.773  10.944
  153    HA   TYR  24           HA       TYR  24  -8.150  12.886  11.381
  154   1HB   TYR  24           HB2      TYR  24  -6.611  14.195   9.698
  155   2HB   TYR  24           HB1      TYR  24  -7.030  12.879   8.608
  156    HD1  TYR  24           HD1      TYR  24  -9.510  12.427   8.182
  157    HD2  TYR  24           HD2      TYR  24  -8.085  15.990  10.020
  158    HE1  TYR  24           HE1      TYR  24 -11.626  13.548   7.629
  159    HE2  TYR  24           HE2      TYR  24 -10.198  17.123   9.473
  160    HH   TYR  24           HH       TYR  24 -12.957  15.545   8.590
  161    H    THR  25           HN       THR  25  -9.849  11.784  10.253
  162    HA   THR  25           HA       THR  25  -9.324   9.419   8.745
  163    HB   THR  25           HB       THR  25 -10.488   9.038  11.508
  164    HG1  THR  25           HG1      THR  25  -8.327   9.225  11.780
  165   1HG2  THR  25          3HG2      THR  25 -10.776   7.468   9.210
  166   2HG2  THR  25          2HG2      THR  25  -9.584   6.649  10.221
  167   3HG2  THR  25          1HG2      THR  25 -11.176   7.037  10.873
  168    H    ASP  26           HN       ASP  26 -10.739  10.083   7.233
  169    HA   ASP  26           HA       ASP  26 -13.505  10.629   8.061
  170   1HB   ASP  26           HB2      ASP  26 -11.844  12.040   6.356
  171   2HB   ASP  26           HB1      ASP  26 -12.846  11.109   5.246
  172    H    ALA  27           HN       ALA  27 -14.567  10.121   5.397
  173    HA   ALA  27           HA       ALA  27 -14.773   7.229   5.618
  174   1HB   ALA  27           HB1      ALA  27 -16.605   7.456   3.980
  175   2HB   ALA  27           HB2      ALA  27 -16.278   9.186   3.883
  176   3HB   ALA  27           HB3      ALA  27 -16.836   8.478   5.398
  177    H    SER  28           HN       SER  28 -12.475   8.916   4.350
  178    HA   SER  28           HA       SER  28 -12.281   7.291   1.900
  179   1HB   SER  28           HB2      SER  28 -12.388   9.968   1.837
  180   2HB   SER  28           HB1      SER  28 -10.663   9.782   2.155
  181    HG   SER  28           HG       SER  28 -11.819   9.629  -0.156
  182    H    GLY  29           HN       GLY  29 -11.430   7.062   4.850
  183   1HA   GLY  29           HA1      GLY  29  -8.655   6.268   4.278
  184   2HA   GLY  29           HA2      GLY  29  -9.703   5.512   5.473
  185    H    GLN  30           HN       GLN  30  -6.997   7.096   5.456
  186    HA   GLN  30           HA       GLN  30  -7.742   8.937   7.633
  187   1HB   GLN  30           HB2      GLN  30  -5.185   7.353   7.608
  188   2HB   GLN  30           HB1      GLN  30  -5.909   8.234   8.946
  189   1HG   GLN  30           HG2      GLN  30  -7.597   6.611   9.226
  190   2HG   GLN  30           HG1      GLN  30  -7.209   5.843   7.687
  191   1HE2  GLN  30          1HE2      GLN  30  -5.112   4.795   7.516
  192   2HE2  GLN  30          2HE2      GLN  30  -4.422   4.062   8.920
  193    H    TRP  31           HN       TRP  31  -6.098  10.607   8.075
  194    HA   TRP  31           HA       TRP  31  -4.408  11.244   5.766
  195   1HB   TRP  31           HB2      TRP  31  -6.007  13.421   7.080
  196   2HB   TRP  31           HB1      TRP  31  -5.227  13.420   5.504
  197    HD1  TRP  31           HD1      TRP  31  -8.138  11.455   7.179
  198    HE1  TRP  31           HE1      TRP  31 -10.004  11.179   5.427
  199    HE3  TRP  31           HE3      TRP  31  -5.861  13.733   3.213
  200    HZ2  TRP  31           HZ2      TRP  31 -10.448  11.843   2.715
  201    HZ3  TRP  31           HZ3      TRP  31  -7.070  13.868   1.076
  202    HH2  TRP  31           HH2      TRP  31  -9.315  12.945   0.832
  203    H    GLY  32           HN       GLY  32  -2.430  11.869   6.342
  204   1HA   GLY  32           HA1      GLY  32  -1.043  11.623   8.478
  205   2HA   GLY  32           HA2      GLY  32  -2.035  12.956   9.050
  206    H    VAL  33           HN       VAL  33  -0.364  14.387   9.313
  207    HA   VAL  33           HA       VAL  33   0.606  15.612   6.860
  208    HB   VAL  33           HB       VAL  33   1.012  16.505   9.719
  209   1HG1  VAL  33          1HG1      VAL  33   2.657  17.332   8.008
  210   2HG1  VAL  33          3HG1      VAL  33   1.305  18.114   7.189
  211   3HG1  VAL  33          2HG1      VAL  33   1.736  18.592   8.830
  212   1HG2  VAL  33          3HG2      VAL  33  -1.027  17.388   7.678
  213   2HG2  VAL  33          2HG2      VAL  33  -1.351  16.481   9.155
  214   3HG2  VAL  33          1HG2      VAL  33  -0.763  18.141   9.250
  215    H    GLN  34           HN       GLN  34   2.375  14.750   5.992
  216    HA   GLN  34           HA       GLN  34   4.637  14.165   7.783
  217   1HB   GLN  34           HB2      GLN  34   3.382  12.157   6.669
  218   2HB   GLN  34           HB1      GLN  34   4.258  12.652   5.226
  219   1HG   GLN  34           HG2      GLN  34   6.256  11.971   6.031
  220   2HG   GLN  34           HG1      GLN  34   5.839  12.349   7.702
  221   1HE2  GLN  34          1HE2      GLN  34   4.511  10.232   5.186
  222   2HE2  GLN  34          2HE2      GLN  34   4.471   8.805   6.162
  223    H    ASN  35           HN       ASN  35   6.213  15.540   7.417
  224    HA   ASN  35           HA       ASN  35   7.847  16.681   6.338
  225   1HB   ASN  35           HB2      ASN  35   8.523  16.038   4.263
  226   2HB   ASN  35           HB1      ASN  35   7.398  14.723   4.565
  227   1HD2  ASN  35          1HD2      ASN  35   8.165  15.380   2.038
  228   2HD2  ASN  35          2HD2      ASN  35   6.832  16.056   1.173
  229    H    GLY  36           HN       GLY  36   5.131  17.667   6.972
  230   1HA   GLY  36           HA1      GLY  36   5.453  20.289   5.904
  231   2HA   GLY  36           HA2      GLY  36   4.121  19.734   6.908
  232    H    GLN  37           HN       GLN  37   3.108  17.698   5.302
  233    HA   GLN  37           HA       GLN  37   1.700  19.275   3.339
  234   1HB   GLN  37           HB2      GLN  37   3.269  16.851   2.443
  235   2HB   GLN  37           HB1      GLN  37   2.206  17.829   1.442
  236   1HG   GLN  37           HG2      GLN  37   3.703  19.762   1.818
  237   2HG   GLN  37           HG1      GLN  37   4.795  18.700   2.706
  238   1HE2  GLN  37          1HE2      GLN  37   2.971  18.373  -0.322
  239   2HE2  GLN  37          2HE2      GLN  37   4.333  17.947  -1.296
  240    H    TRP  38           HN       TRP  38  -0.362  18.663   3.278
  241    HA   TRP  38           HA       TRP  38  -1.280  16.470   4.851
  242   1HB   TRP  38           HB2      TRP  38  -2.506  18.629   3.237
  243   2HB   TRP  38           HB1      TRP  38  -3.470  17.168   3.419
  244    HD1  TRP  38           HD1      TRP  38  -3.373  20.343   4.907
  245    HE1  TRP  38           HE1      TRP  38  -4.047  20.330   7.391
  246    HE3  TRP  38           HE3      TRP  38  -2.836  15.351   5.867
  247    HZ2  TRP  38           HZ2      TRP  38  -4.316  18.452   9.481
  248    HZ3  TRP  38           HZ3      TRP  38  -3.323  14.527   8.135
  249    HH2  TRP  38           HH2      TRP  38  -4.047  16.047   9.902
  250    H    CYS  39           HN       CYS  39  -1.319  14.404   4.256
  251    HA   CYS  39           HA       CYS  39  -2.050  13.725   1.515
  252   1HB   CYS  39           HB2      CYS  39  -0.092  11.883   1.888
  253   2HB   CYS  39           HB1      CYS  39   0.121  13.379   0.992
  254    H    GLY  40           HN       GLY  40  -2.865  11.613   1.250
  255   1HA   GLY  40           HA1      GLY  40  -4.375  10.011   1.984
  256   2HA   GLY  40           HA2      GLY  40  -4.143  10.588   3.627
  257    H    ILE  41           HN       ILE  41  -4.146   8.298   4.180
  258    HA   ILE  41           HA       ILE  41  -1.431   7.212   4.033
  259    HB   ILE  41           HB       ILE  41  -3.503   5.881   5.688
  260   1HG1  ILE  41          2HG1      ILE  41  -4.007   8.223   6.123
  261   2HG1  ILE  41          1HG1      ILE  41  -3.214   7.502   7.514
  262   1HG2  ILE  41          2HG2      ILE  41  -0.583   6.443   5.855
  263   2HG2  ILE  41          1HG2      ILE  41  -1.494   5.970   7.291
  264   3HG2  ILE  41          3HG2      ILE  41  -1.435   4.898   5.892
  265   1HD1  ILE  41          3HD1      ILE  41  -1.059   8.486   6.493
  266   2HD1  ILE  41          2HD1      ILE  41  -2.167   9.508   5.576
  267   3HD1  ILE  41          1HD1      ILE  41  -2.182   9.553   7.340
  268    H    ASP  42           HN       ASP  42  -1.046   5.819   2.440
  269    HA   ASP  42           HA       ASP  42  -2.954   3.662   1.945
  270   1HB   ASP  42           HB2      ASP  42  -2.180   4.168  -0.615
  271   2HB   ASP  42           HB1      ASP  42  -3.681   4.749   0.094
  272    H    TYR  43           HN       TYR  43  -1.596   2.105   2.739
  273    HA   TYR  43           HA       TYR  43   1.167   1.947   2.352
  274   1HB   TYR  43           HB2      TYR  43  -0.545  -0.514   2.588
  275   2HB   TYR  43           HB1      TYR  43   1.063  -0.223   3.244
  276    HD1  TYR  43           HD1      TYR  43  -1.753  -1.114   4.508
  277    HD2  TYR  43           HD2      TYR  43   0.579   2.444   4.531
  278    HE1  TYR  43           HE1      TYR  43  -2.757  -0.477   6.660
  279    HE2  TYR  43           HE2      TYR  43  -0.418   3.092   6.683
  280    HH   TYR  43           HH       TYR  43  -1.549   1.632   8.701
  281    H    SER  44           HN       SER  44  -1.494   0.899   0.337
  282    HA   SER  44           HA       SER  44   0.410  -0.200  -1.617
  283   1HB   SER  44           HB2      SER  44  -2.459  -0.760  -1.004
  284   2HB   SER  44           HB1      SER  44  -1.902  -0.974  -2.664
  285    HG   SER  44           HG       SER  44  -0.568  -2.119  -0.445
  286    H    TYR  45           HN       TYR  45   0.470   2.490  -1.542
  287    HA   TYR  45           HA       TYR  45  -1.400   3.527  -3.500
  288   1HB   TYR  45           HB2      TYR  45  -0.805   5.635  -2.813
  289   2HB   TYR  45           HB1      TYR  45  -0.424   4.727  -1.358
  290    HD1  TYR  45           HD1      TYR  45   0.692   7.461  -2.361
  291    HD2  TYR  45           HD2      TYR  45   2.136   3.465  -2.539
  292    HE1  TYR  45           HE1      TYR  45   3.004   8.303  -2.452
  293    HE2  TYR  45           HE2      TYR  45   4.433   4.286  -2.647
  294    HH   TYR  45           HH       TYR  45   5.220   7.528  -3.234
  295    H    GLY  46           HN       GLY  46   0.451   1.488  -4.412
  296   1HA   GLY  46           HA1      GLY  46   1.887   3.098  -6.425
  297   2HA   GLY  46           HA2      GLY  46   1.134   1.550  -6.767
  298    H    GLN  47           HN       GLN  47   2.808   1.819  -3.769
  299    HA   GLN  47           HA       GLN  47   5.426   1.349  -4.418
  300   1HB   GLN  47           HB2      GLN  47   3.842   0.106  -2.162
  301   2HB   GLN  47           HB1      GLN  47   5.598   0.118  -2.263
  302   1HG   GLN  47           HG2      GLN  47   5.505   2.607  -2.292
  303   2HG   GLN  47           HG1      GLN  47   3.773   2.489  -1.983
  304   1HE2  GLN  47          1HE2      GLN  47   6.003   3.618  -0.388
  305   2HE2  GLN  47          2HE2      GLN  47   5.897   2.842   1.152
  306    H    ASN  48           HN       ASN  48   6.167  -0.035  -5.894
  307    HA   ASN  48           HA       ASN  48   4.854  -2.445  -6.613
  308   1HB   ASN  48           HB2      ASN  48   7.707  -1.639  -7.207
  309   2HB   ASN  48           HB1      ASN  48   6.752  -2.839  -8.072
  310   1HD2  ASN  48          1HD2      ASN  48   7.233  -1.614  -9.970
  311   2HD2  ASN  48          2HD2      ASN  48   6.315  -0.200 -10.347
  312    H    GLN  49           HN       GLN  49   6.337  -4.511  -6.783
  313    HA   GLN  49           HA       GLN  49   6.646  -5.488  -4.153
  314   1HB   GLN  49           HB2      GLN  49   6.146  -7.206  -5.569
  315   2HB   GLN  49           HB1      GLN  49   7.059  -6.526  -6.903
  316   1HG   GLN  49           HG2      GLN  49   8.670  -7.997  -6.525
  317   2HG   GLN  49           HG1      GLN  49   8.930  -7.315  -4.929
  318   1HE2  GLN  49          1HE2      GLN  49   9.395  -9.958  -5.450
  319   2HE2  GLN  49          2HE2      GLN  49   8.233 -10.920  -4.607
  320    H    GLY  50           HN       GLY  50   8.675  -3.540  -6.006
  321   1HA   GLY  50           HA1      GLY  50  10.698  -2.588  -5.422
  322   2HA   GLY  50           HA2      GLY  50  11.240  -4.207  -5.821
  323    H    ASN  51           HN       ASN  51   9.239  -3.623  -3.030
  324    HA   ASN  51           HA       ASN  51   9.589  -4.287  -0.874
  325   1HB   ASN  51           HB2      ASN  51  11.184  -5.794  -0.484
  326   2HB   ASN  51           HB1      ASN  51  11.720  -5.545  -2.137
  327   1HD2  ASN  51          1HD2      ASN  51  13.626  -4.497  -2.513
  328   2HD2  ASN  51          2HD2      ASN  51  14.710  -4.003  -1.262
  329    H    GLU  52           HN       GLU  52  10.412  -1.599  -2.336
  330    HA   GLU  52           HA       GLU  52  12.190  -0.243  -0.655
  331   1HB   GLU  52           HB2      GLU  52  11.181   1.814  -1.521
  332   2HB   GLU  52           HB1      GLU  52  11.457   0.654  -2.814
  333   1HG   GLU  52           HG2      GLU  52   9.357   1.023  -3.417
  334   2HG   GLU  52           HG1      GLU  52   8.889   0.090  -1.996
  335    H    SER  53           HN       SER  53   8.887  -1.162  -0.234
  336    HA   SER  53           HA       SER  53   8.884   0.083   2.421
  337   1HB   SER  53           HB2      SER  53   7.115   0.678   0.235
  338   2HB   SER  53           HB1      SER  53   6.195  -0.046   1.554
  339    HG   SER  53           HG       SER  53   6.507   1.686   2.711
  340    H    CYS  54           HN       CYS  54   8.221  -1.211   4.050
  341    HA   CYS  54           HA       CYS  54   7.106  -3.835   3.313
  342   1HB   CYS  54           HB2      CYS  54   8.770  -4.882   4.382
  343   2HB   CYS  54           HB1      CYS  54   9.583  -3.330   4.503
  344    H    THR  55           HN       THR  55   6.006  -4.926   5.218
  345    HA   THR  55           HA       THR  55   4.160  -3.001   6.392
  346    HB   THR  55           HB       THR  55   4.148  -6.021   6.228
  347    HG1  THR  55           HG1      THR  55   3.562  -4.920   4.332
  348   1HG2  THR  55          2HG2      THR  55   2.440  -4.217   7.839
  349   2HG2  THR  55          1HG2      THR  55   1.652  -5.532   6.962
  350   3HG2  THR  55          3HG2      THR  55   2.926  -5.888   8.129
  351    H    GLY  56           HN       GLY  56   3.653  -3.018   8.656
  352   1HA   GLY  56           HA1      GLY  56   5.419  -4.452  10.450
  353   2HA   GLY  56           HA2      GLY  56   4.084  -3.409  10.912
  354    H    ASN  57           HN       ASN  57   5.610  -1.539   8.799
  355    HA   ASN  57           HA       ASN  57   7.877  -0.717  10.371
  356   1HB   ASN  57           HB2      ASN  57   6.612   0.206   7.817
  357   2HB   ASN  57           HB1      ASN  57   7.763   1.252   8.642
  358   1HD2  ASN  57          1HD2      ASN  57   7.623  -0.649   6.151
  359   2HD2  ASN  57          2HD2      ASN  57   9.176  -1.406   6.187
  360    H    GLY  58           HN       GLY  58   4.724  -0.395  10.995
  361   1HA   GLY  58           HA1      GLY  58   3.380   1.293  11.881
  362   2HA   GLY  58           HA2      GLY  58   4.696   2.434  11.653
  363    H    SER  59           HN       SER  59   5.682  -0.444  13.181
  364    HA   SER  59           HA       SER  59   6.154   0.983  15.630
  365   1HB   SER  59           HB2      SER  59   3.862   0.293  16.037
  366   2HB   SER  59           HB1      SER  59   4.257  -1.373  15.612
  367    HG   SER  59           HG       SER  59   4.466  -1.436  17.740
  368    H    TYR  60           HN       TYR  60   5.972  -2.340  14.335
  369    HA   TYR  60           HA       TYR  60   8.437  -3.007  15.749
  370   1HB   TYR  60           HB2      TYR  60   7.360  -5.118  14.053
  371   2HB   TYR  60           HB1      TYR  60   7.689  -5.125  15.780
  372    HD1  TYR  60           HD1      TYR  60   5.172  -4.939  13.229
  373    HD2  TYR  60           HD2      TYR  60   5.929  -4.209  17.349
  374    HE1  TYR  60           HE1      TYR  60   2.753  -4.934  13.663
  375    HE2  TYR  60           HE2      TYR  60   3.510  -4.199  17.798
  376    HH   TYR  60           HH       TYR  60   1.265  -5.426  15.804
  377    HA   PRO  61           HA       PRO  61  10.938  -3.091  12.090
  378   1HB   PRO  61           HB2      PRO  61  12.509  -5.224  12.348
  379   2HB   PRO  61           HB1      PRO  61  12.539  -3.932  13.554
  380   1HG   PRO  61           HG2      PRO  61  11.230  -6.614  13.679
  381   2HG   PRO  61           HG1      PRO  61  12.072  -5.716  14.953
  382   1HD   PRO  61           HD2      PRO  61   9.307  -5.826  14.596
  383   2HD   PRO  61           HD1      PRO  61  10.175  -4.621  15.565
  384    H    CYS  62           HN       CYS  62  11.666  -4.301  10.128
  385    HA   CYS  62           HA       CYS  62   9.441  -5.608   8.891
  386   1HB   CYS  62           HB2      CYS  62  12.238  -4.963   7.961
  387   2HB   CYS  62           HB1      CYS  62  11.086  -5.828   6.952
  388    H    CYS  63           HN       CYS  63   9.777  -7.677   7.637
  389    HA   CYS  63           HA       CYS  63  11.110  -9.625   9.376
  390   1HB   CYS  63           HB2      CYS  63   8.564  -9.564   8.089
  391   2HB   CYS  63           HB1      CYS  63   9.484 -10.899   7.409
  392    H    ASN  64           HN       ASN  64  10.240  -9.717   5.964
  393    HA   ASN  64           HA       ASN  64  11.903  -9.438   4.208
  394   1HB   ASN  64           HB2      ASN  64  14.064 -10.340   4.319
  395   2HB   ASN  64           HB1      ASN  64  13.807  -9.672   5.921
  396   1HD2  ASN  64          1HD2      ASN  64  13.666 -12.664   4.056
  397   2HD2  ASN  64          2HD2      ASN  64  14.058 -13.717   5.369
  398    H    THR  65           HN       THR  65   9.817 -11.500   5.366
  399    HA   THR  65           HA       THR  65  10.287 -13.469   3.230
  400    HB   THR  65           HB       THR  65  10.701 -14.530   5.376
  401    HG1  THR  65           HG1      THR  65   9.483 -15.675   3.735
  402   1HG2  THR  65          1HG2      THR  65   9.077 -12.876   6.587
  403   2HG2  THR  65          3HG2      THR  65   7.889 -14.139   6.257
  404   3HG2  THR  65          2HG2      THR  65   9.331 -14.510   7.202
  405    H    CYS  66           HN       CYS  66   8.491 -14.178   2.085
  406    HA   CYS  66           HA       CYS  66   6.194 -12.399   2.187
  407   1HB   CYS  66           HB2      CYS  66   7.098 -12.852  -0.007
  408   2HB   CYS  66           HB1      CYS  66   6.993 -14.589   0.256
  409    H    GLN  67           HN       GLN  67   6.993 -14.914   3.961
  410    HA   GLN  67           HA       GLN  67   4.543 -16.454   3.784
  411   1HB   GLN  67           HB2      GLN  67   6.313 -17.875   4.246
  412   2HB   GLN  67           HB1      GLN  67   7.136 -16.699   5.253
  413   1HG   GLN  67           HG2      GLN  67   4.649 -17.463   6.471
  414   2HG   GLN  67           HG1      GLN  67   5.599 -18.889   6.066
  415   1HE2  GLN  67          1HE2      GLN  67   6.851 -15.711   6.923
  416   2HE2  GLN  67          2HE2      GLN  67   7.616 -16.209   8.389
  417    H    ALA  68           HN       ALA  68   2.956 -15.015   4.395
  418    HA   ALA  68           HA       ALA  68   3.179 -13.664   6.954
  419   1HB   ALA  68           HB1      ALA  68   2.128 -12.831   4.614
  420   2HB   ALA  68           HB2      ALA  68   1.688 -12.178   6.192
  421   3HB   ALA  68           HB3      ALA  68   0.679 -13.411   5.437
  422    H    THR  69           HN       THR  69   3.023 -15.330   8.374
  423    HA   THR  69           HA       THR  69   1.129 -17.380   8.352
  424    HB   THR  69           HB       THR  69   2.791 -17.865   9.841
  425    HG1  THR  69           HG1      THR  69   1.060 -18.193  11.131
  426   1HG2  THR  69          1HG2      THR  69   2.746 -14.979  10.639
  427   2HG2  THR  69          3HG2      THR  69   3.631 -16.207  11.549
  428   3HG2  THR  69          2HG2      THR  69   4.043 -15.890   9.861
  429    H    TYR  70           HN       TYR  70   0.812 -14.039   9.223
  430    HA   TYR  70           HA       TYR  70  -2.013 -14.463   9.687
  431   1HB   TYR  70           HB2      TYR  70  -2.142 -13.872  11.885
  432   2HB   TYR  70           HB1      TYR  70  -0.538 -14.590  11.902
  433    HD1  TYR  70           HD1      TYR  70   1.231 -13.382  12.788
  434    HD2  TYR  70           HD2      TYR  70  -2.226 -11.288  11.464
  435    HE1  TYR  70           HE1      TYR  70   2.155 -11.293  13.699
  436    HE2  TYR  70           HE2      TYR  70  -1.313  -9.195  12.370
  437    HH   TYR  70           HH       TYR  70   1.931  -8.900  13.408
  438    H    THR  71           HN       THR  71  -3.267 -12.717   9.220
  439    HA   THR  71           HA       THR  71  -1.859 -10.273   8.366
  440    HB   THR  71           HB       THR  71  -4.279 -11.586   7.116
  441    HG1  THR  71           HG1      THR  71  -2.092 -12.353   6.604
  442   1HG2  THR  71          1HG2      THR  71  -4.179  -8.981   7.193
  443   2HG2  THR  71          3HG2      THR  71  -2.954  -9.196   5.939
  444   3HG2  THR  71          2HG2      THR  71  -4.586  -9.819   5.694
  445    H    ASP  72           HN       ASP  72  -2.639  -8.365   9.083
  446    HA   ASP  72           HA       ASP  72  -5.083  -8.464  10.717
  447   1HB   ASP  72           HB2      ASP  72  -2.464  -7.807  11.527
  448   2HB   ASP  72           HB1      ASP  72  -3.351  -6.288  11.479
  449    H    GLY  73           HN       GLY  73  -5.352  -5.772  11.236
  450   1HA   GLY  73           HA1      GLY  73  -6.457  -3.975  10.326
  451   2HA   GLY  73           HA2      GLY  73  -6.577  -4.880   8.827
  452    H    ASP  74           HN       ASP  74  -3.354  -4.883   9.522
  453    HA   ASP  74           HA       ASP  74  -2.943  -2.373   8.030
  454   1HB   ASP  74           HB2      ASP  74  -1.685  -3.396  10.463
  455   2HB   ASP  74           HB1      ASP  74  -0.517  -2.913   9.236
  456    H    GLY  75           HN       GLY  75  -3.118  -5.490   7.452
  457   1HA   GLY  75           HA1      GLY  75  -0.729  -5.525   5.716
  458   2HA   GLY  75           HA2      GLY  75  -2.305  -6.089   5.179
  459    H    ASP  76           HN       ASP  76   0.177  -7.561   5.227
  460    HA   ASP  76           HA       ASP  76  -0.763  -9.853   6.765
  461   1HB   ASP  76           HB2      ASP  76   1.693 -10.207   5.191
  462   2HB   ASP  76           HB1      ASP  76   0.209 -11.154   5.198
  463    H    TRP  77           HN       TRP  77   1.017 -11.233   7.803
  464    HA   TRP  77           HA       TRP  77   3.259  -9.744   8.858
  465   1HB   TRP  77           HB2      TRP  77   1.150 -10.787  10.755
  466   2HB   TRP  77           HB1      TRP  77   2.632  -9.942  11.190
  467    HD1  TRP  77           HD1      TRP  77  -0.849  -9.299   9.698
  468    HE1  TRP  77           HE1      TRP  77  -1.351  -6.787   9.859
  469    HE3  TRP  77           HE3      TRP  77   3.718  -7.662  11.313
  470    HZ2  TRP  77           HZ2      TRP  77   0.001  -4.428  10.574
  471    HZ3  TRP  77           HZ3      TRP  77   4.025  -5.256  11.711
  472    HH2  TRP  77           HH2      TRP  77   2.203  -3.671  11.348
  473    H    ALA  78           HN       ALA  78   4.740 -11.032  10.079
  474    HA   ALA  78           HA       ALA  78   4.298 -13.895  10.158
  475   1HB   ALA  78           HB1      ALA  78   5.132 -13.459   7.887
  476   2HB   ALA  78           HB2      ALA  78   6.224 -14.468   8.832
  477   3HB   ALA  78           HB3      ALA  78   6.597 -12.762   8.577
  478    H    PHE  79           HN       PHE  79   5.902 -15.048  11.368
  479    HA   PHE  79           HA       PHE  79   7.274 -13.330  13.312
  480   1HB   PHE  79           HB2      PHE  79   5.599 -15.182  13.994
  481   2HB   PHE  79           HB1      PHE  79   6.891 -16.306  13.585
  482    HD1  PHE  79           HD1      PHE  79   6.734 -13.045  15.399
  483    HD2  PHE  79           HD2      PHE  79   7.926 -17.129  15.450
  484    HE1  PHE  79           HE1      PHE  79   7.709 -12.728  17.635
  485    HE2  PHE  79           HE2      PHE  79   8.902 -16.821  17.687
  486    HZ   PHE  79           HZ       PHE  79   8.794 -14.618  18.783
  487    H    GLU  80           HN       GLU  80   9.290 -12.899  12.666
  488    HA   GLU  80           HA       GLU  80  10.953 -15.154  11.757
  489   1HB   GLU  80           HB2      GLU  80  10.336 -13.561   9.925
  490   2HB   GLU  80           HB1      GLU  80  11.186 -12.299  10.803
  491   1HG   GLU  80           HG2      GLU  80  12.492 -13.303   8.966
  492   2HG   GLU  80           HG1      GLU  80  13.270 -13.421  10.546
  493    H    ASN  81           HN       ASN  81  13.019 -15.282  12.547
  494    HA   ASN  81           HA       ASN  81  14.639 -15.080  14.140
  495   1HB   ASN  81           HB2      ASN  81  14.231 -12.346  13.042
  496   2HB   ASN  81           HB1      ASN  81  15.225 -12.492  14.489
  497   1HD2  ASN  81          1HD2      ASN  81  14.859 -14.630  11.693
  498   2HD2  ASN  81          2HD2      ASN  81  16.523 -14.599  11.232
  499    H    GLY  82           HN       GLY  82  11.826 -15.065  15.047
  500   1HA   GLY  82           HA1      GLY  82  12.295 -14.557  17.794
  501   2HA   GLY  82           HA2      GLY  82  10.745 -14.955  17.070
  502    H    ASN  83           HN       ASN  83  11.057 -12.579  15.223
  503    HA   ASN  83           HA       ASN  83  10.227 -10.551  17.189
  504   1HB   ASN  83           HB2      ASN  83  11.709  -9.916  14.635
  505   2HB   ASN  83           HB1      ASN  83  11.332  -8.820  15.960
  506   1HD2  ASN  83          1HD2      ASN  83  13.620 -10.870  14.631
  507   2HD2  ASN  83          2HD2      ASN  83  14.716 -10.933  15.964
  508    H    TRP  84           HN       TRP  84   8.274  -9.717  16.838
  509    HA   TRP  84           HA       TRP  84   6.645 -10.630  14.705
  510   1HB   TRP  84           HB2      TRP  84   6.322  -8.699  16.958
  511   2HB   TRP  84           HB1      TRP  84   5.166  -8.628  15.632
  512    HD1  TRP  84           HD1      TRP  84   5.140  -9.919  18.873
  513    HE1  TRP  84           HE1      TRP  84   3.793 -12.099  19.114
  514    HE3  TRP  84           HE3      TRP  84   4.913 -11.280  13.950
  515    HZ2  TRP  84           HZ2      TRP  84   2.770 -14.127  17.439
  516    HZ3  TRP  84           HZ3      TRP  84   3.731 -13.354  13.354
  517    HH2  TRP  84           HH2      TRP  84   2.682 -14.747  15.063
  518    H    CYS  85           HN       CYS  85   7.501 -10.070  12.742
  519    HA   CYS  85           HA       CYS  85   7.736  -7.194  12.166
  520   1HB   CYS  85           HB2      CYS  85   8.824  -8.411   9.975
  521   2HB   CYS  85           HB1      CYS  85   9.743  -7.831  11.355
  522    H    GLY  86           HN       GLY  86   7.271  -6.727   9.736
  523   1HA   GLY  86           HA1      GLY  86   5.040  -6.351   8.779
  524   2HA   GLY  86           HA2      GLY  86   4.701  -8.043   9.101
  525    H    ILE  87           HN       ILE  87   4.414  -8.926   7.140
  526    HA   ILE  87           HA       ILE  87   6.502  -9.611   5.489
  527    HB   ILE  87           HB       ILE  87   3.577  -9.675   5.285
  528   1HG1  ILE  87          2HG1      ILE  87   3.885 -11.925   4.889
  529   2HG1  ILE  87          1HG1      ILE  87   5.388 -11.678   4.012
  530   1HG2  ILE  87          1HG2      ILE  87   5.203  -9.634   2.751
  531   2HG2  ILE  87          3HG2      ILE  87   3.532 -10.182   2.872
  532   3HG2  ILE  87          2HG2      ILE  87   3.934  -8.498   3.214
  533   1HD1  ILE  87          2HD1      ILE  87   5.069 -11.407   6.990
  534   2HD1  ILE  87          1HD1      ILE  87   5.675 -12.838   6.152
  535   3HD1  ILE  87          3HD1      ILE  87   6.575 -11.327   6.074
  536    H    LYS  88           HN       LYS  88   7.647  -8.697   3.945
  537    HA   LYS  88           HA       LYS  88   7.392  -5.899   3.437
  538   1HB   LYS  88           HB2      LYS  88   9.111  -7.744   1.809
  539   2HB   LYS  88           HB1      LYS  88   9.405  -6.068   2.248
  540   1HG   LYS  88           HG2      LYS  88   9.230  -7.809   4.569
  541   2HG   LYS  88           HG1      LYS  88  10.503  -8.288   3.447
  542   1HD   LYS  88           HD2      LYS  88  10.856  -5.597   3.530
  543   2HD   LYS  88           HD1      LYS  88  10.281  -5.917   5.167
  544   1HE   LYS  88           HE2      LYS  88  12.675  -6.055   5.163
  545   2HE   LYS  88           HE1      LYS  88  12.021  -7.679   5.373
  546   1HZ   LYS  88           HZ1      LYS  88  12.256  -7.606   2.736
  547   2HZ   LYS  88           HZ3      LYS  88  13.516  -6.554   3.146
  548   3HZ   LYS  88           HZ2      LYS  88  13.502  -8.132   3.753
  549    H    ASN  89           HN       ASN  89   7.161  -4.930   1.316
  550    HA   ASN  89           HA       ASN  89   4.895  -5.844  -0.051
  551   1HB   ASN  89           HB2      ASN  89   5.158  -3.982  -1.455
  552   2HB   ASN  89           HB1      ASN  89   5.916  -3.475   0.044
  553   1HD2  ASN  89          1HD2      ASN  89   7.144  -1.937  -0.954
  554   2HD2  ASN  89          2HD2      ASN  89   8.498  -2.321  -1.953
  555    H    SER  90           HN       SER  90   8.162  -6.832  -0.282
  556    HA   SER  90           HA       SER  90   8.195  -7.721  -2.971
  557   1HB   SER  90           HB2      SER  90   9.844  -8.143  -0.542
  558   2HB   SER  90           HB1      SER  90   9.946  -9.397  -1.781
  559    HG   SER  90           HG       SER  90  11.077  -8.084  -2.959
  560    H    CYS  91           HN       CYS  91   6.137  -8.645  -0.638
  561    HA   CYS  91           HA       CYS  91   6.151 -11.492  -1.189
  562   1HB   CYS  91           HB2      CYS  91   5.733 -10.724   1.110
  563   2HB   CYS  91           HB1      CYS  91   4.325  -9.827   0.557
  564    H    LYS  92           HN       LYS  92   5.202  -8.978  -2.930
  565    HA   LYS  92           HA       LYS  92   3.086 -10.500  -4.209
  566   1HB   LYS  92           HB2      LYS  92   1.735  -8.292  -4.368
  567   2HB   LYS  92           HB1      LYS  92   1.650  -9.254  -2.901
  568   1HG   LYS  92           HG2      LYS  92   1.967  -7.254  -1.935
  569   2HG   LYS  92           HG1      LYS  92   3.662  -7.640  -2.225
  570   1HD   LYS  92           HD2      LYS  92   3.039  -6.478  -4.572
  571   2HD   LYS  92           HD1      LYS  92   1.930  -5.621  -3.502
  572   1HE   LYS  92           HE2      LYS  92   4.162  -5.526  -2.036
  573   2HE   LYS  92           HE1      LYS  92   4.867  -5.586  -3.653
  574   1HZ   LYS  92           HZ1      LYS  92   3.049  -3.734  -4.059
  575   2HZ   LYS  92           HZ3      LYS  92   3.268  -3.486  -2.399
  576   3HZ   LYS  92           HZ2      LYS  92   4.583  -3.357  -3.455
  577    H    GLN  93           HN       GLN  93   5.006 -10.640  -5.626
  578    HA   GLN  93           HA       GLN  93   5.789  -8.334  -7.133
  579   1HB   GLN  93           HB2      GLN  93   7.449  -9.648  -7.973
  580   2HB   GLN  93           HB1      GLN  93   7.035 -10.645  -6.588
  581   1HG   GLN  93           HG2      GLN  93   6.079 -11.039  -9.410
  582   2HG   GLN  93           HG1      GLN  93   7.286 -12.003  -8.563
  583   1HE2  GLN  93          1HE2      GLN  93   6.175 -12.400  -6.140
  584   2HE2  GLN  93          2HE2      GLN  93   4.707 -13.301  -6.286
  585    H    GLN  94           HN       GLN  94   3.097 -10.330  -7.242
  586    HA   GLN  94           HA       GLN  94   2.683 -10.680  -9.983
  587   1HB   GLN  94           HB2      GLN  94   0.531 -10.209  -7.918
  588   2HB   GLN  94           HB1      GLN  94   0.361 -11.047  -9.452
  589   1HG   GLN  94           HG2      GLN  94   2.404 -12.156  -7.668
  590   2HG   GLN  94           HG1      GLN  94   0.751 -12.254  -7.062
  591   1HE2  GLN  94          1HE2      GLN  94   3.028 -13.428  -9.343
  592   2HE2  GLN  94          2HE2      GLN  94   2.021 -14.632 -10.064
  593    HA   PRO  95           HA       PRO  95   0.183  -6.460  -9.794
  594   1HB   PRO  95           HB2      PRO  95   1.225  -4.748  -7.894
  595   2HB   PRO  95           HB1      PRO  95  -0.249  -5.699  -7.687
  596   1HG   PRO  95           HG2      PRO  95   2.537  -6.307  -6.770
  597   2HG   PRO  95           HG1      PRO  95   1.006  -6.495  -5.894
  598   1HD   PRO  95           HD2      PRO  95   2.200  -8.595  -6.983
  599   2HD   PRO  95           HD1      PRO  95   0.436  -8.423  -7.076
  600    H    GLN  96           HN       GLN  96   3.558  -6.347  -8.663
  601    HA   GLN  96           HA       GLN  96   4.248  -4.951 -11.151
  602   1HB   GLN  96           HB2      GLN  96   4.883  -4.067  -8.351
  603   2HB   GLN  96           HB1      GLN  96   5.926  -3.619  -9.694
  604   1HG   GLN  96           HG2      GLN  96   4.585  -1.939 -10.190
  605   2HG   GLN  96           HG1      GLN  96   3.254  -3.065 -10.453
  606   1HE2  GLN  96          1HE2      GLN  96   3.006  -4.013  -7.822
  607   2HE2  GLN  96          2HE2      GLN  96   2.389  -2.731  -6.841
  608    H    ASN  97           HN       ASN  97   5.711  -6.106 -12.192
  609    HA   ASN  97           HA       ASN  97   7.964  -7.244 -10.741
  610   1HB   ASN  97           HB2      ASN  97   7.549  -9.368 -12.294
  611   2HB   ASN  97           HB1      ASN  97   6.840  -9.238 -10.689
  612   1HD2  ASN  97          1HD2      ASN  97   5.840  -7.517 -13.598
  613   2HD2  ASN  97          2HD2      ASN  97   4.275  -8.236 -13.702
  614    H    ASN  98           HN       ASN  98   7.521  -5.073 -12.687
  615    HA   ASN  98           HA       ASN  98   9.289  -6.055 -14.832
  616   1HB   ASN  98           HB2      ASN  98   6.801  -5.224 -15.312
  617   2HB   ASN  98           HB1      ASN  98   7.592  -3.651 -15.295
  618   1HD2  ASN  98          1HD2      ASN  98   7.093  -3.419 -17.503
  619   2HD2  ASN  98          2HD2      ASN  98   8.011  -4.234 -18.717
  620    H    ASN  99           HN       ASN  99  10.654  -4.331 -15.811
  621    HA   ASN  99           HA       ASN  99  11.497  -2.389 -13.761
  622   1HB   ASN  99           HB2      ASN  99  13.137  -4.205 -14.105
  623   2HB   ASN  99           HB1      ASN  99  13.229  -3.785 -15.813
  624   1HD2  ASN  99          1HD2      ASN  99  14.059  -1.692 -16.375
  625   2HD2  ASN  99          2HD2      ASN  99  15.198  -0.912 -15.335
  626    H    GLN 100           HN       GLN 100  11.184  -0.347 -14.319
  627    HA   GLN 100           HA       GLN 100  10.910   1.550 -15.541
  628   1HB   GLN 100           HB2      GLN 100  13.124   0.187 -16.671
  629   2HB   GLN 100           HB1      GLN 100  12.185   0.836 -18.009
  630   1HG   GLN 100           HG2      GLN 100  13.328   2.712 -17.662
  631   2HG   GLN 100           HG1      GLN 100  12.251   2.950 -16.286
  632   1HE2  GLN 100          1HE2      GLN 100  14.557   4.189 -16.102
  633   2HE2  GLN 100          2HE2      GLN 100  15.638   3.395 -15.013

  No H/Q in entry =         633
  Start of MODEL    6
    1    H1   ALA   1           HT2      ALA   1   4.523   6.977  -9.372
    2    H2   ALA   1           HT1      ALA   1   5.905   6.232  -8.678
    3    H3   ALA   1           HT3      ALA   1   4.338   5.648  -8.301
    4    HA   ALA   1           HA       ALA   1   4.882   6.848  -6.475
    5   1HB   ALA   1           HB2      ALA   1   6.906   7.853  -7.071
    6   2HB   ALA   1           HB1      ALA   1   6.177   8.734  -8.414
    7   3HB   ALA   1           HB3      ALA   1   5.825   9.209  -6.753
    8    H    MET   2           HN       MET   2   2.536   6.626  -8.116
    9    HA   MET   2           HA       MET   2   1.010   8.767  -6.982
   10   1HB   MET   2           HB2      MET   2   0.065   9.472  -9.249
   11   2HB   MET   2           HB1      MET   2   1.656  10.078  -8.816
   12   1HG   MET   2           HG2      MET   2   2.138   7.681 -10.144
   13   2HG   MET   2           HG1      MET   2   0.846   8.460 -11.056
   14   1HE   MET   2           HE2      MET   2   3.514  10.336  -8.938
   15   2HE   MET   2           HE1      MET   2   4.449   8.964  -9.532
   16   3HE   MET   2           HE3      MET   2   4.817  10.594 -10.099
   17    H    ALA   3           HN       ALA   3  -0.113   7.060  -6.055
   18    HA   ALA   3           HA       ALA   3  -2.278   6.061  -7.672
   19   1HB   ALA   3           HB1      ALA   3  -1.374   3.720  -6.358
   20   2HB   ALA   3           HB2      ALA   3  -0.016   4.388  -7.264
   21   3HB   ALA   3           HB3      ALA   3  -1.528   4.019  -8.090
   22    H    CYS   4           HN       CYS   4  -1.921   7.774  -5.369
   23    HA   CYS   4           HA       CYS   4  -2.858   6.336  -3.058
   24   1HB   CYS   4           HB2      CYS   4  -1.498   8.655  -3.360
   25   2HB   CYS   4           HB1      CYS   4  -3.131   9.282  -3.165
   26    H    TRP   5           HN       TRP   5  -4.872   6.975  -1.945
   27    HA   TRP   5           HA       TRP   5  -7.057   7.130  -3.870
   28   1HB   TRP   5           HB2      TRP   5  -8.480   6.589  -1.860
   29   2HB   TRP   5           HB1      TRP   5  -7.290   5.359  -2.274
   30    HD1  TRP   5           HD1      TRP   5  -5.673   4.644  -0.403
   31    HE1  TRP   5           HE1      TRP   5  -5.182   5.441   1.995
   32    HE3  TRP   5           HE3      TRP   5  -8.463   8.885  -0.419
   33    HZ2  TRP   5           HZ2      TRP   5  -5.908   7.613   3.662
   34    HZ3  TRP   5           HZ3      TRP   5  -8.530  10.280   1.606
   35    HH2  TRP   5           HH2      TRP   5  -7.277   9.656   3.605
   36    H    ALA   6           HN       ALA   6  -5.267   9.179  -1.912
   37    HA   ALA   6           HA       ALA   6  -7.372  11.021  -1.214
   38   1HB   ALA   6           HB3      ALA   6  -5.441  12.467  -0.489
   39   2HB   ALA   6           HB2      ALA   6  -5.536  10.891   0.297
   40   3HB   ALA   6           HB1      ALA   6  -4.367  11.160  -0.996
   41    H    GLN   7           HN       GLN   7  -5.063  10.592  -3.796
   42    HA   GLN   7           HA       GLN   7  -5.080  13.184  -4.870
   43   1HB   GLN   7           HB2      GLN   7  -4.478  11.994  -7.037
   44   2HB   GLN   7           HB1      GLN   7  -3.413  11.717  -5.666
   45   1HG   GLN   7           HG2      GLN   7  -3.701   9.540  -5.863
   46   2HG   GLN   7           HG1      GLN   7  -5.436   9.732  -5.618
   47   1HE2  GLN   7          1HE2      GLN   7  -2.986  10.153  -8.150
   48   2HE2  GLN   7          2HE2      GLN   7  -3.958   9.527  -9.433
   49    H    SER   8           HN       SER   8  -7.513  10.762  -4.840
   50    HA   SER   8           HA       SER   8  -8.927  11.254  -7.170
   51   1HB   SER   8           HB2      SER   8  -9.497   9.464  -5.566
   52   2HB   SER   8           HB1      SER   8 -10.080  10.679  -4.428
   53    HG   SER   8           HG       SER   8 -11.869  10.055  -5.490
   54    H    GLN   9           HN       GLN   9  -8.559  13.219  -4.343
   55    HA   GLN   9           HA       GLN   9 -10.582  15.106  -5.335
   56   1HB   GLN   9           HB2      GLN   9 -10.506  16.094  -3.072
   57   2HB   GLN   9           HB1      GLN   9 -10.974  14.399  -3.049
   58   1HG   GLN   9           HG2      GLN   9  -8.929  13.720  -2.162
   59   2HG   GLN   9           HG1      GLN   9  -8.132  15.230  -2.606
   60   1HE2  GLN   9          1HE2      GLN   9 -10.377  13.718  -0.395
   61   2HE2  GLN   9          2HE2      GLN   9 -10.275  14.921   0.840
   62    H    GLY  10           HN       GLY  10  -7.224  14.598  -4.998
   63   1HA   GLY  10           HA1      GLY  10  -6.712  17.466  -5.482
   64   2HA   GLY  10           HA2      GLY  10  -5.926  16.204  -6.417
   65    H    TYR  11           HN       TYR  11  -5.874  14.672  -3.687
   66    HA   TYR  11           HA       TYR  11  -3.609  16.136  -2.513
   67   1HB   TYR  11           HB2      TYR  11  -5.594  14.190  -1.388
   68   2HB   TYR  11           HB1      TYR  11  -4.036  14.415  -0.603
   69    HD1  TYR  11           HD1      TYR  11  -6.195  16.972  -2.238
   70    HD2  TYR  11           HD2      TYR  11  -4.573  15.457   1.387
   71    HE1  TYR  11           HE1      TYR  11  -7.085  18.922  -1.032
   72    HE2  TYR  11           HE2      TYR  11  -5.454  17.392   2.599
   73    HH   TYR  11           HH       TYR  11  -6.717  20.156   1.000
   74    H    ASN  12           HN       ASN  12  -1.608  15.288  -2.556
   75    HA   ASN  12           HA       ASN  12  -1.161  12.841  -4.021
   76   1HB   ASN  12           HB2      ASN  12   0.955  14.401  -2.549
   77   2HB   ASN  12           HB1      ASN  12   1.135  13.401  -3.986
   78   1HD2  ASN  12          1HD2      ASN  12   1.698  16.291  -3.291
   79   2HD2  ASN  12          2HD2      ASN  12   0.993  17.179  -4.595
   80    H    CYS  13           HN       CYS  13   0.391  11.170  -3.084
   81    HA   CYS  13           HA       CYS  13  -0.682  10.332  -0.552
   82   1HB   CYS  13           HB2      CYS  13   0.345   8.997  -2.738
   83   2HB   CYS  13           HB1      CYS  13   1.603   8.794  -1.522
   84    H    CYS  14           HN       CYS  14   0.521   9.836   1.320
   85    HA   CYS  14           HA       CYS  14   2.621  11.769   1.833
   86   1HB   CYS  14           HB2      CYS  14   0.586  10.513   3.367
   87   2HB   CYS  14           HB1      CYS  14   2.129  10.055   4.077
   88    H    ASN  15           HN       ASN  15   4.716  11.337   1.784
   89    HA   ASN  15           HA       ASN  15   5.733   8.817   1.043
   90   1HB   ASN  15           HB2      ASN  15   6.916  10.842   0.459
   91   2HB   ASN  15           HB1      ASN  15   7.096  11.278   2.155
   92   1HD2  ASN  15          1HD2      ASN  15   8.930  10.796   3.076
   93   2HD2  ASN  15          2HD2      ASN  15  10.075   9.622   2.525
   94    H    ASN  16           HN       ASN  16   5.659   7.101   2.304
   95    HA   ASN  16           HA       ASN  16   6.423   5.728   4.011
   96   1HB   ASN  16           HB2      ASN  16   6.700   8.141   5.808
   97   2HB   ASN  16           HB1      ASN  16   7.363   6.530   6.054
   98   1HD2  ASN  16          1HD2      ASN  16   8.270   9.503   5.459
   99   2HD2  ASN  16          2HD2      ASN  16   9.650   9.242   4.455
  100    HA   PRO  17           HA       PRO  17   2.010   6.703   5.383
  101   1HB   PRO  17           HB2      PRO  17   0.806   4.665   4.051
  102   2HB   PRO  17           HB1      PRO  17   1.047   6.267   3.343
  103   1HG   PRO  17           HG2      PRO  17   2.663   3.771   2.978
  104   2HG   PRO  17           HG1      PRO  17   2.132   4.948   1.762
  105   1HD   PRO  17           HD2      PRO  17   4.638   4.947   2.772
  106   2HD   PRO  17           HD1      PRO  17   3.810   6.441   2.292
  107    H    SER  18           HN       SER  18   4.127   3.972   5.289
  108    HA   SER  18           HA       SER  18   2.582   2.262   6.978
  109   1HB   SER  18           HB2      SER  18   5.522   1.911   6.897
  110   2HB   SER  18           HB1      SER  18   4.236   0.730   6.652
  111    HG   SER  18           HG       SER  18   3.893   1.829   4.580
  112    H    SER  19           HN       SER  19   4.181   5.109   7.628
  113    HA   SER  19           HA       SER  19   4.195   4.514  10.483
  114   1HB   SER  19           HB2      SER  19   6.538   4.186   9.465
  115   2HB   SER  19           HB1      SER  19   6.552   5.937   9.253
  116    HG   SER  19           HG       SER  19   6.405   4.456  11.656
  117    H    THR  20           HN       THR  20   2.475   6.063   8.729
  118    HA   THR  20           HA       THR  20   3.075   8.811   9.509
  119    HB   THR  20           HB       THR  20   1.319   7.546   7.427
  120    HG1  THR  20           HG1      THR  20   3.444   9.392   7.474
  121   1HG2  THR  20          1HG2      THR  20   1.175  10.410   8.311
  122   2HG2  THR  20          3HG2      THR  20   0.471   9.755   6.833
  123   3HG2  THR  20          2HG2      THR  20  -0.107   9.205   8.404
  124    H    LYS  21           HN       LYS  21   2.255   9.390  11.419
  125    HA   LYS  21           HA       LYS  21   0.115   8.079  12.713
  126   1HB   LYS  21           HB2      LYS  21   1.880   9.442  13.856
  127   2HB   LYS  21           HB1      LYS  21   1.115  10.889  13.213
  128   1HG   LYS  21           HG2      LYS  21  -0.656   9.068  14.696
  129   2HG   LYS  21           HG1      LYS  21   0.600   9.866  15.645
  130   1HD   LYS  21           HD2      LYS  21  -0.177  12.029  14.530
  131   2HD   LYS  21           HD1      LYS  21  -1.597  11.114  14.019
  132   1HE   LYS  21           HE2      LYS  21  -2.271  10.723  16.247
  133   2HE   LYS  21           HE1      LYS  21  -0.712  11.240  16.888
  134   1HZ   LYS  21           HZ2      LYS  21  -1.501  13.439  15.595
  135   2HZ   LYS  21           HZ1      LYS  21  -2.998  12.825  16.085
  136   3HZ   LYS  21           HZ3      LYS  21  -1.802  13.154  17.235
  137    H    VAL  22           HN       VAL  22  -1.911   8.077  11.943
  138    HA   VAL  22           HA       VAL  22  -2.896  10.259  10.360
  139    HB   VAL  22           HB       VAL  22  -4.118   7.625  11.192
  140   1HG1  VAL  22          2HG1      VAL  22  -5.322   9.995   9.929
  141   2HG1  VAL  22          1HG1      VAL  22  -5.680   8.450   9.163
  142   3HG1  VAL  22          3HG1      VAL  22  -6.070   8.702  10.864
  143   1HG2  VAL  22          3HG2      VAL  22  -2.194   7.904   9.431
  144   2HG2  VAL  22          2HG2      VAL  22  -3.547   6.816   9.125
  145   3HG2  VAL  22          1HG2      VAL  22  -3.518   8.416   8.386
  146    H    GLU  23           HN       GLU  23  -3.205  11.974  11.652
  147    HA   GLU  23           HA       GLU  23  -4.579  11.757  14.179
  148   1HB   GLU  23           HB2      GLU  23  -4.477  14.333  13.984
  149   2HB   GLU  23           HB1      GLU  23  -2.967  13.455  14.190
  150   1HG   GLU  23           HG2      GLU  23  -2.184  14.085  12.191
  151   2HG   GLU  23           HG1      GLU  23  -3.742  13.867  11.395
  152    H    TYR  24           HN       TYR  24  -5.513  11.749  10.993
  153    HA   TYR  24           HA       TYR  24  -8.212  12.656  11.756
  154   1HB   TYR  24           HB2      TYR  24  -6.874  14.422  10.459
  155   2HB   TYR  24           HB1      TYR  24  -7.077  13.365   9.067
  156    HD1  TYR  24           HD1      TYR  24  -8.541  15.948  11.027
  157    HD2  TYR  24           HD2      TYR  24  -9.486  12.713   8.432
  158    HE1  TYR  24           HE1      TYR  24 -10.757  16.934  10.612
  159    HE2  TYR  24           HE2      TYR  24 -11.704  13.688   8.009
  160    HH   TYR  24           HH       TYR  24 -12.668  16.187   8.131
  161    H    THR  25           HN       THR  25  -9.873  11.475  10.983
  162    HA   THR  25           HA       THR  25  -9.568   9.787   8.677
  163    HB   THR  25           HB       THR  25 -10.187   8.416  11.290
  164    HG1  THR  25           HG1      THR  25  -7.752   8.302   9.851
  165   1HG2  THR  25          2HG2      THR  25 -10.236   7.613   8.515
  166   2HG2  THR  25          1HG2      THR  25  -9.159   6.601   9.482
  167   3HG2  THR  25          3HG2      THR  25 -10.851   6.784   9.947
  168    H    ASP  26           HN       ASP  26 -11.358  10.238   7.632
  169    HA   ASP  26           HA       ASP  26 -13.899  10.245   9.120
  170   1HB   ASP  26           HB2      ASP  26 -14.735  11.961   7.600
  171   2HB   ASP  26           HB1      ASP  26 -13.253  12.516   8.367
  172    H    ALA  27           HN       ALA  27 -15.374  10.548   6.553
  173    HA   ALA  27           HA       ALA  27 -15.488   7.747   5.905
  174   1HB   ALA  27           HB1      ALA  27 -17.608   8.604   5.914
  175   2HB   ALA  27           HB2      ALA  27 -17.236   8.728   4.194
  176   3HB   ALA  27           HB3      ALA  27 -17.106  10.150   5.228
  177    H    SER  28           HN       SER  28 -13.404  10.048   4.923
  178    HA   SER  28           HA       SER  28 -13.357   9.266   2.110
  179   1HB   SER  28           HB2      SER  28 -12.005  11.127   1.713
  180   2HB   SER  28           HB1      SER  28 -13.028  11.694   3.034
  181    HG   SER  28           HG       SER  28 -10.365  10.739   3.189
  182    H    GLY  29           HN       GLY  29 -11.535   8.985   5.092
  183   1HA   GLY  29           HA1      GLY  29  -9.436   7.458   3.742
  184   2HA   GLY  29           HA2      GLY  29 -10.421   6.620   4.931
  185    H    GLN  30           HN       GLN  30  -7.531   7.232   4.890
  186    HA   GLN  30           HA       GLN  30  -7.393   8.500   7.535
  187   1HB   GLN  30           HB2      GLN  30  -5.690   6.471   6.120
  188   2HB   GLN  30           HB1      GLN  30  -5.064   7.367   7.495
  189   1HG   GLN  30           HG2      GLN  30  -7.528   6.448   8.355
  190   2HG   GLN  30           HG1      GLN  30  -6.869   5.111   7.414
  191   1HE2  GLN  30          1HE2      GLN  30  -4.615   4.490   7.944
  192   2HE2  GLN  30          2HE2      GLN  30  -4.135   4.537   9.603
  193    H    TRP  31           HN       TRP  31  -6.035  10.200   7.963
  194    HA   TRP  31           HA       TRP  31  -4.377  11.216   5.763
  195   1HB   TRP  31           HB2      TRP  31  -6.111  13.010   7.462
  196   2HB   TRP  31           HB1      TRP  31  -5.147  13.468   6.063
  197    HD1  TRP  31           HD1      TRP  31  -8.376  11.583   6.967
  198    HE1  TRP  31           HE1      TRP  31  -9.889  11.530   4.888
  199    HE3  TRP  31           HE3      TRP  31  -5.144  13.620   3.573
  200    HZ2  TRP  31           HZ2      TRP  31  -9.728  12.267   2.154
  201    HZ3  TRP  31           HZ3      TRP  31  -5.897  13.909   1.250
  202    HH2  TRP  31           HH2      TRP  31  -8.140  13.247   0.555
  203    H    GLY  32           HN       GLY  32  -2.544  12.347   6.365
  204   1HA   GLY  32           HA1      GLY  32  -0.997  11.608   8.404
  205   2HA   GLY  32           HA2      GLY  32  -1.996  12.831   9.177
  206    H    VAL  33           HN       VAL  33  -0.082  14.085   9.538
  207    HA   VAL  33           HA       VAL  33   0.621  15.686   7.191
  208    HB   VAL  33           HB       VAL  33   1.140  16.253  10.114
  209   1HG1  VAL  33          1HG1      VAL  33   2.755  17.304   8.566
  210   2HG1  VAL  33          3HG1      VAL  33   1.410  18.074   7.724
  211   3HG1  VAL  33          2HG1      VAL  33   1.746  18.482   9.406
  212   1HG2  VAL  33          2HG2      VAL  33  -0.958  17.356   8.247
  213   2HG2  VAL  33          1HG2      VAL  33  -1.238  16.274   9.612
  214   3HG2  VAL  33          3HG2      VAL  33  -0.655  17.914   9.892
  215    H    GLN  34           HN       GLN  34   2.302  14.795   6.128
  216    HA   GLN  34           HA       GLN  34   4.703  14.144   7.713
  217   1HB   GLN  34           HB2      GLN  34   3.459  12.292   6.308
  218   2HB   GLN  34           HB1      GLN  34   4.306  13.044   4.961
  219   1HG   GLN  34           HG2      GLN  34   6.320  12.287   5.616
  220   2HG   GLN  34           HG1      GLN  34   5.936  12.416   7.332
  221   1HE2  GLN  34          1HE2      GLN  34   4.065  10.720   4.887
  222   2HE2  GLN  34          2HE2      GLN  34   4.296   9.137   5.542
  223    H    ASN  35           HN       ASN  35   6.407  15.410   7.362
  224    HA   ASN  35           HA       ASN  35   7.791  16.952   6.421
  225   1HB   ASN  35           HB2      ASN  35   8.148  15.286   4.721
  226   2HB   ASN  35           HB1      ASN  35   6.639  15.700   3.922
  227   1HD2  ASN  35          1HD2      ASN  35   7.511  16.161   1.985
  228   2HD2  ASN  35          2HD2      ASN  35   8.540  17.520   1.690
  229    H    GLY  36           HN       GLY  36   5.099  17.705   7.193
  230   1HA   GLY  36           HA1      GLY  36   5.054  20.337   6.155
  231   2HA   GLY  36           HA2      GLY  36   3.816  19.609   7.168
  232    H    GLN  37           HN       GLN  37   2.901  17.558   5.593
  233    HA   GLN  37           HA       GLN  37   1.443  19.050   3.572
  234   1HB   GLN  37           HB2      GLN  37   3.071  16.593   2.897
  235   2HB   GLN  37           HB1      GLN  37   1.876  17.320   1.833
  236   1HG   GLN  37           HG2      GLN  37   4.397  18.632   2.823
  237   2HG   GLN  37           HG1      GLN  37   4.130  17.971   1.211
  238   1HE2  GLN  37          1HE2      GLN  37   1.588  18.868   0.686
  239   2HE2  GLN  37          2HE2      GLN  37   1.595  20.592   0.579
  240    H    TRP  38           HN       TRP  38  -0.644  18.515   3.672
  241    HA   TRP  38           HA       TRP  38  -1.515  16.328   5.298
  242   1HB   TRP  38           HB2      TRP  38  -2.562  18.689   4.924
  243   2HB   TRP  38           HB1      TRP  38  -3.285  17.949   3.503
  244    HD1  TRP  38           HD1      TRP  38  -5.707  18.004   4.268
  245    HE1  TRP  38           HE1      TRP  38  -7.066  16.822   6.107
  246    HE3  TRP  38           HE3      TRP  38  -1.847  16.079   7.022
  247    HZ2  TRP  38           HZ2      TRP  38  -6.567  15.289   8.414
  248    HZ3  TRP  38           HZ3      TRP  38  -2.381  14.772   9.030
  249    HH2  TRP  38           HH2      TRP  38  -4.689  14.387   9.715
  250    H    CYS  39           HN       CYS  39  -0.840  14.445   4.276
  251    HA   CYS  39           HA       CYS  39  -2.078  13.902   1.657
  252   1HB   CYS  39           HB2      CYS  39  -0.079  11.978   2.090
  253   2HB   CYS  39           HB1      CYS  39  -0.044  13.312   0.948
  254    H    GLY  40           HN       GLY  40  -2.473  11.530   1.262
  255   1HA   GLY  40           HA1      GLY  40  -4.063   9.914   1.866
  256   2HA   GLY  40           HA2      GLY  40  -3.980  10.483   3.528
  257    H    ILE  41           HN       ILE  41  -3.889   8.183   4.066
  258    HA   ILE  41           HA       ILE  41  -1.111   7.254   4.032
  259    HB   ILE  41           HB       ILE  41  -3.412   6.802   5.886
  260   1HG1  ILE  41          2HG1      ILE  41  -1.558   7.212   7.553
  261   2HG1  ILE  41          1HG1      ILE  41  -0.507   7.552   6.182
  262   1HG2  ILE  41          2HG2      ILE  41  -1.170   4.894   5.388
  263   2HG2  ILE  41          1HG2      ILE  41  -1.841   5.075   7.010
  264   3HG2  ILE  41          3HG2      ILE  41  -2.878   4.565   5.678
  265   1HD1  ILE  41          1HD1      ILE  41  -3.024   9.035   6.170
  266   2HD1  ILE  41          3HD1      ILE  41  -1.958   9.398   7.526
  267   3HD1  ILE  41          2HD1      ILE  41  -1.374   9.583   5.872
  268    H    ASP  42           HN       ASP  42  -0.868   6.169   2.135
  269    HA   ASP  42           HA       ASP  42  -2.590   3.810   1.743
  270   1HB   ASP  42           HB2      ASP  42  -2.245   5.930  -0.045
  271   2HB   ASP  42           HB1      ASP  42  -1.214   4.650  -0.677
  272    H    TYR  43           HN       TYR  43  -1.315   2.324   2.740
  273    HA   TYR  43           HA       TYR  43   1.464   2.187   2.690
  274   1HB   TYR  43           HB2      TYR  43  -0.300  -0.253   2.812
  275   2HB   TYR  43           HB1      TYR  43   1.263   0.004   3.581
  276    HD1  TYR  43           HD1      TYR  43  -1.587  -0.811   4.718
  277    HD2  TYR  43           HD2      TYR  43   0.696   2.780   4.692
  278    HE1  TYR  43           HE1      TYR  43  -2.728  -0.076   6.769
  279    HE2  TYR  43           HE2      TYR  43  -0.441   3.526   6.743
  280    HH   TYR  43           HH       TYR  43  -2.740   3.013   7.861
  281    H    SER  44           HN       SER  44  -0.796   1.432   0.211
  282    HA   SER  44           HA       SER  44   1.370   0.216  -1.374
  283   1HB   SER  44           HB2      SER  44  -1.351  -0.373  -2.297
  284   2HB   SER  44           HB1      SER  44   0.023  -1.456  -2.072
  285    HG   SER  44           HG       SER  44  -0.837  -2.060  -0.263
  286    H    TYR  45           HN       TYR  45   1.271   2.901  -1.401
  287    HA   TYR  45           HA       TYR  45  -0.344   3.706  -3.670
  288   1HB   TYR  45           HB2      TYR  45  -0.197   5.790  -2.825
  289   2HB   TYR  45           HB1      TYR  45   0.503   5.041  -1.397
  290    HD1  TYR  45           HD1      TYR  45   2.509   5.858  -0.637
  291    HD2  TYR  45           HD2      TYR  45   1.552   6.264  -4.754
  292    HE1  TYR  45           HE1      TYR  45   4.589   7.104  -0.991
  293    HE2  TYR  45           HE2      TYR  45   3.620   7.496  -5.126
  294    HH   TYR  45           HH       TYR  45   5.199   9.020  -3.409
  295    H    GLY  46           HN       GLY  46   0.380   3.448  -5.608
  296   1HA   GLY  46           HA1      GLY  46   1.874   3.791  -7.400
  297   2HA   GLY  46           HA2      GLY  46   2.328   2.238  -6.732
  298    H    GLN  47           HN       GLN  47   4.079   2.207  -5.143
  299    HA   GLN  47           HA       GLN  47   5.981   4.414  -5.549
  300   1HB   GLN  47           HB2      GLN  47   5.589   2.479  -3.281
  301   2HB   GLN  47           HB1      GLN  47   7.097   3.367  -3.479
  302   1HG   GLN  47           HG2      GLN  47   4.819   5.120  -3.682
  303   2HG   GLN  47           HG1      GLN  47   4.802   4.216  -2.165
  304   1HE2  GLN  47          1HE2      GLN  47   7.121   5.938  -4.232
  305   2HE2  GLN  47          2HE2      GLN  47   7.944   6.736  -2.941
  306    H    ASN  48           HN       ASN  48   8.349   3.592  -5.283
  307    HA   ASN  48           HA       ASN  48   8.711   1.567  -7.328
  308   1HB   ASN  48           HB2      ASN  48  11.060   2.258  -7.309
  309   2HB   ASN  48           HB1      ASN  48   9.996   3.653  -7.453
  310   1HD2  ASN  48          1HD2      ASN  48  11.127   5.232  -6.530
  311   2HD2  ASN  48          2HD2      ASN  48  11.750   5.200  -4.919
  312    H    GLN  49           HN       GLN  49  10.482  -0.041  -7.068
  313    HA   GLN  49           HA       GLN  49  10.116  -1.476  -4.562
  314   1HB   GLN  49           HB2      GLN  49  11.093  -2.179  -7.286
  315   2HB   GLN  49           HB1      GLN  49  11.626  -3.158  -5.921
  316   1HG   GLN  49           HG2      GLN  49   9.725  -4.221  -5.868
  317   2HG   GLN  49           HG1      GLN  49   8.840  -2.708  -5.714
  318   1HE2  GLN  49          1HE2      GLN  49  10.775  -4.041  -8.363
  319   2HE2  GLN  49          2HE2      GLN  49   9.514  -3.992  -9.543
  320    H    GLY  50           HN       GLY  50  11.727   0.890  -4.410
  321   1HA   GLY  50           HA1      GLY  50  13.954   1.543  -4.086
  322   2HA   GLY  50           HA2      GLY  50  14.434  -0.132  -4.320
  323    H    ASN  51           HN       ASN  51  11.857   0.793  -2.183
  324    HA   ASN  51           HA       ASN  51  11.970  -0.528  -0.039
  325   1HB   ASN  51           HB2      ASN  51  13.758  -0.006   1.500
  326   2HB   ASN  51           HB1      ASN  51  14.443  -0.579  -0.013
  327   1HD2  ASN  51          1HD2      ASN  51  16.277   0.564   1.229
  328   2HD2  ASN  51          2HD2      ASN  51  16.544   2.216   0.800
  329    H    GLU  52           HN       GLU  52  10.474   1.594  -1.095
  330    HA   GLU  52           HA       GLU  52  10.613   3.879   0.619
  331   1HB   GLU  52           HB2      GLU  52   8.908   2.945  -1.588
  332   2HB   GLU  52           HB1      GLU  52   8.063   3.908  -0.384
  333   1HG   GLU  52           HG2      GLU  52   8.793   5.700  -1.457
  334   2HG   GLU  52           HG1      GLU  52  10.402   5.314  -0.847
  335    H    SER  53           HN       SER  53   8.763   0.900   0.550
  336    HA   SER  53           HA       SER  53   8.217   1.071   3.362
  337   1HB   SER  53           HB2      SER  53   6.085   1.628   1.349
  338   2HB   SER  53           HB1      SER  53   5.656   0.653   2.755
  339    HG   SER  53           HG       SER  53   6.995   3.135   2.981
  340    H    CYS  54           HN       CYS  54   7.233  -0.943   4.177
  341    HA   CYS  54           HA       CYS  54   7.789  -3.151   2.323
  342   1HB   CYS  54           HB2      CYS  54   7.782  -4.462   4.636
  343   2HB   CYS  54           HB1      CYS  54   9.212  -3.654   4.016
  344    H    THR  55           HN       THR  55   6.518  -5.125   2.579
  345    HA   THR  55           HA       THR  55   3.711  -4.483   2.611
  346    HB   THR  55           HB       THR  55   5.316  -6.950   1.968
  347    HG1  THR  55           HG1      THR  55   5.231  -5.866   0.169
  348   1HG2  THR  55          3HG2      THR  55   2.450  -6.853   2.589
  349   2HG2  THR  55          2HG2      THR  55   2.873  -7.624   1.060
  350   3HG2  THR  55          1HG2      THR  55   3.573  -8.215   2.566
  351    H    GLY  56           HN       GLY  56   2.143  -5.548   3.931
  352   1HA   GLY  56           HA1      GLY  56   3.097  -7.071   6.202
  353   2HA   GLY  56           HA2      GLY  56   1.419  -6.742   5.800
  354    H    ASN  57           HN       ASN  57   2.884  -3.833   5.580
  355    HA   ASN  57           HA       ASN  57   3.087  -3.181   8.373
  356   1HB   ASN  57           HB2      ASN  57   3.499  -0.887   7.566
  357   2HB   ASN  57           HB1      ASN  57   4.526  -2.062   6.749
  358   1HD2  ASN  57          1HD2      ASN  57   4.789  -0.485   5.091
  359   2HD2  ASN  57          2HD2      ASN  57   3.571  -0.274   3.886
  360    H    GLY  58           HN       GLY  58   0.461  -3.815   6.559
  361   1HA   GLY  58           HA1      GLY  58  -1.709  -2.982   6.463
  362   2HA   GLY  58           HA2      GLY  58  -1.181  -1.567   7.362
  363    H    SER  59           HN       SER  59  -0.165  -4.479   8.779
  364    HA   SER  59           HA       SER  59  -1.898  -4.049  11.020
  365   1HB   SER  59           HB2      SER  59  -3.488  -5.312   9.797
  366   2HB   SER  59           HB1      SER  59  -2.269  -6.464   9.255
  367    HG   SER  59           HG       SER  59  -3.618  -7.222  11.001
  368    H    TYR  60           HN       TYR  60   0.426  -6.210   9.443
  369    HA   TYR  60           HA       TYR  60   1.459  -6.955  12.092
  370   1HB   TYR  60           HB2      TYR  60   2.639  -8.372   9.829
  371   2HB   TYR  60           HB1      TYR  60   1.893  -9.009  11.288
  372    HD1  TYR  60           HD1      TYR  60  -0.341  -9.827  11.265
  373    HD2  TYR  60           HD2      TYR  60   1.218  -7.808   7.862
  374    HE1  TYR  60           HE1      TYR  60  -2.282 -10.563   9.946
  375    HE2  TYR  60           HE2      TYR  60  -0.716  -8.537   6.534
  376    HH   TYR  60           HH       TYR  60  -2.980  -9.293   6.838
  377    HA   PRO  61           HA       PRO  61   5.364  -5.007  11.207
  378   1HB   PRO  61           HB2      PRO  61   7.121  -6.515  12.463
  379   2HB   PRO  61           HB1      PRO  61   5.734  -5.879  13.361
  380   1HG   PRO  61           HG2      PRO  61   6.159  -8.623  12.223
  381   2HG   PRO  61           HG1      PRO  61   5.486  -8.158  13.798
  382   1HD   PRO  61           HD2      PRO  61   4.003  -8.797  11.518
  383   2HD   PRO  61           HD1      PRO  61   3.389  -7.926  12.937
  384    H    CYS  62           HN       CYS  62   7.144  -4.890   9.816
  385    HA   CYS  62           HA       CYS  62   7.241  -6.743   7.655
  386   1HB   CYS  62           HB2      CYS  62   9.308  -4.643   8.352
  387   2HB   CYS  62           HB1      CYS  62   9.005  -5.359   6.770
  388    H    CYS  63           HN       CYS  63   9.726  -7.491   7.057
  389    HA   CYS  63           HA       CYS  63  10.614  -8.923   9.468
  390   1HB   CYS  63           HB2      CYS  63  11.557 -10.582   7.632
  391   2HB   CYS  63           HB1      CYS  63   9.907 -10.700   8.221
  392    H    ASN  64           HN       ASN  64  11.882  -8.225   6.243
  393    HA   ASN  64           HA       ASN  64  13.715  -6.653   5.939
  394   1HB   ASN  64           HB2      ASN  64  15.580  -6.571   7.348
  395   2HB   ASN  64           HB1      ASN  64  14.229  -6.724   8.456
  396   1HD2  ASN  64          1HD2      ASN  64  14.003  -9.654   7.697
  397   2HD2  ASN  64          2HD2      ASN  64  15.270 -10.414   8.583
  398    H    THR  65           HN       THR  65  12.768  -9.242   4.961
  399    HA   THR  65           HA       THR  65  15.285 -10.127   3.751
  400    HB   THR  65           HB       THR  65  14.679 -11.703   5.572
  401    HG1  THR  65           HG1      THR  65  14.987 -13.504   4.332
  402   1HG2  THR  65          3HG2      THR  65  12.187 -11.426   5.317
  403   2HG2  THR  65          2HG2      THR  65  12.302 -12.485   3.911
  404   3HG2  THR  65          1HG2      THR  65  12.770 -13.080   5.504
  405    H    CYS  66           HN       CYS  66  15.101 -10.899   1.629
  406    HA   CYS  66           HA       CYS  66  12.608 -10.128   0.307
  407   1HB   CYS  66           HB2      CYS  66  15.266 -10.831  -0.957
  408   2HB   CYS  66           HB1      CYS  66  13.875 -10.113  -1.765
  409    H    GLN  67           HN       GLN  67  12.751 -12.535   1.841
  410    HA   GLN  67           HA       GLN  67  12.428 -14.562  -0.266
  411   1HB   GLN  67           HB2      GLN  67  14.067 -15.546   0.983
  412   2HB   GLN  67           HB1      GLN  67  13.652 -14.648   2.430
  413   1HG   GLN  67           HG2      GLN  67  11.608 -16.587   1.738
  414   2HG   GLN  67           HG1      GLN  67  13.192 -17.328   1.943
  415   1HE2  GLN  67          1HE2      GLN  67  12.059 -14.443   3.604
  416   2HE2  GLN  67          2HE2      GLN  67  12.039 -15.139   5.185
  417    H    ALA  68           HN       ALA  68  10.285 -14.141  -0.687
  418    HA   ALA  68           HA       ALA  68   8.360 -14.094   1.471
  419   1HB   ALA  68           HB1      ALA  68   7.598 -14.061  -1.410
  420   2HB   ALA  68           HB3      ALA  68   6.837 -13.267  -0.033
  421   3HB   ALA  68           HB2      ALA  68   8.354 -12.643  -0.681
  422    H    THR  69           HN       THR  69   8.429 -16.138   2.261
  423    HA   THR  69           HA       THR  69   8.317 -18.512   0.792
  424    HB   THR  69           HB       THR  69   8.890 -18.960   2.955
  425    HG1  THR  69           HG1      THR  69   6.090 -19.187   3.293
  426   1HG2  THR  69          3HG2      THR  69   6.899 -16.883   3.781
  427   2HG2  THR  69          2HG2      THR  69   7.655 -17.985   4.935
  428   3HG2  THR  69          1HG2      THR  69   8.652 -16.877   3.985
  429    H    TYR  70           HN       TYR  70   5.827 -16.208   1.530
  430    HA   TYR  70           HA       TYR  70   3.961 -17.776  -0.036
  431   1HB   TYR  70           HB2      TYR  70   2.400 -18.226   1.567
  432   2HB   TYR  70           HB1      TYR  70   3.828 -18.241   2.592
  433    HD1  TYR  70           HD1      TYR  70   3.845 -16.941   4.517
  434    HD2  TYR  70           HD2      TYR  70   1.178 -15.911   1.364
  435    HE1  TYR  70           HE1      TYR  70   2.825 -15.221   5.947
  436    HE2  TYR  70           HE2      TYR  70   0.153 -14.190   2.785
  437    HH   TYR  70           HH       TYR  70  -0.095 -13.622   5.106
  438    H    THR  71           HN       THR  71   2.481 -16.554  -1.115
  439    HA   THR  71           HA       THR  71   2.539 -13.653  -0.598
  440    HB   THR  71           HB       THR  71   2.312 -15.078  -3.256
  441    HG1  THR  71           HG1      THR  71   4.387 -14.884  -3.190
  442   1HG2  THR  71          1HG2      THR  71   1.005 -12.858  -2.915
  443   2HG2  THR  71          3HG2      THR  71   2.609 -12.125  -2.989
  444   3HG2  THR  71          2HG2      THR  71   2.014 -13.081  -4.347
  445    H    ASP  72           HN       ASP  72   0.625 -12.581  -0.544
  446    HA   ASP  72           HA       ASP  72  -1.799 -14.194  -0.964
  447   1HB   ASP  72           HB2      ASP  72  -0.908 -13.163   1.458
  448   2HB   ASP  72           HB1      ASP  72  -2.138 -12.014   0.941
  449    H    GLY  73           HN       GLY  73  -3.682 -12.221  -0.574
  450   1HA   GLY  73           HA1      GLY  73  -4.856 -10.733  -1.875
  451   2HA   GLY  73           HA2      GLY  73  -3.617 -10.911  -3.105
  452    H    ASP  74           HN       ASP  74  -1.926 -10.076  -0.413
  453    HA   ASP  74           HA       ASP  74  -2.208  -7.203  -1.014
  454   1HB   ASP  74           HB2      ASP  74  -2.141  -8.645   1.536
  455   2HB   ASP  74           HB1      ASP  74  -1.014  -7.294   1.465
  456    H    GLY  75           HN       GLY  75  -0.313  -9.674  -1.741
  457   1HA   GLY  75           HA1      GLY  75   2.185  -8.136  -1.401
  458   2HA   GLY  75           HA2      GLY  75   1.765  -8.923  -2.916
  459    H    ASP  76           HN       ASP  76   4.135  -9.352  -1.374
  460    HA   ASP  76           HA       ASP  76   3.871 -12.238  -1.009
  461   1HB   ASP  76           HB2      ASP  76   6.557 -11.102  -0.690
  462   2HB   ASP  76           HB1      ASP  76   6.001 -12.409  -1.729
  463    H    TRP  77           HN       TRP  77   5.040 -13.262   0.825
  464    HA   TRP  77           HA       TRP  77   5.334 -11.594   3.193
  465   1HB   TRP  77           HB2      TRP  77   3.450 -13.950   3.173
  466   2HB   TRP  77           HB1      TRP  77   3.770 -12.864   4.521
  467    HD1  TRP  77           HD1      TRP  77   1.987 -12.934   1.107
  468    HE1  TRP  77           HE1      TRP  77   0.246 -11.047   1.065
  469    HE3  TRP  77           HE3      TRP  77   3.148 -10.664   5.536
  470    HZ2  TRP  77           HZ2      TRP  77  -0.533  -8.887   2.690
  471    HZ3  TRP  77           HZ3      TRP  77   1.852  -8.688   6.219
  472    HH2  TRP  77           HH2      TRP  77   0.048  -7.817   4.823
  473    H    ALA  78           HN       ALA  78   6.449 -12.548   4.904
  474    HA   ALA  78           HA       ALA  78   7.566 -15.205   4.503
  475   1HB   ALA  78           HB1      ALA  78   9.329 -12.809   4.975
  476   2HB   ALA  78           HB3      ALA  78   9.844 -14.486   4.781
  477   3HB   ALA  78           HB2      ALA  78   9.120 -13.625   3.426
  478    H    PHE  79           HN       PHE  79   8.244 -16.222   6.387
  479    HA   PHE  79           HA       PHE  79   7.254 -14.999   8.848
  480   1HB   PHE  79           HB2      PHE  79   6.633 -17.362   8.141
  481   2HB   PHE  79           HB1      PHE  79   8.297 -17.812   8.498
  482    HD1  PHE  79           HD1      PHE  79   8.340 -19.072  10.415
  483    HD2  PHE  79           HD2      PHE  79   5.847 -15.626  10.268
  484    HE1  PHE  79           HE1      PHE  79   7.743 -19.407  12.779
  485    HE2  PHE  79           HE2      PHE  79   5.247 -15.954  12.632
  486    HZ   PHE  79           HZ       PHE  79   6.196 -17.847  13.890
  487    H    GLU  80           HN       GLU  80   8.708 -13.725   9.821
  488    HA   GLU  80           HA       GLU  80  11.354 -14.859  10.380
  489   1HB   GLU  80           HB2      GLU  80  11.646 -13.352   8.485
  490   2HB   GLU  80           HB1      GLU  80  10.837 -12.061   9.360
  491   1HG   GLU  80           HG2      GLU  80  13.257 -11.781   9.347
  492   2HG   GLU  80           HG1      GLU  80  12.629 -11.992  10.981
  493    H    ASN  81           HN       ASN  81  12.356 -14.082  12.278
  494    HA   ASN  81           HA       ASN  81  12.340 -13.551  14.494
  495   1HB   ASN  81           HB2      ASN  81  11.245 -11.220  13.057
  496   2HB   ASN  81           HB1      ASN  81  10.907 -11.250  14.785
  497   1HD2  ASN  81          1HD2      ASN  81  12.554  -9.385  13.400
  498   2HD2  ASN  81          2HD2      ASN  81  14.152  -9.539  14.034
  499    H    GLY  82           HN       GLY  82  10.150 -15.242  13.471
  500   1HA   GLY  82           HA1      GLY  82   8.636 -15.448  15.838
  501   2HA   GLY  82           HA2      GLY  82   8.286 -16.271  14.324
  502    H    ASN  83           HN       ASN  83   8.088 -13.683  12.877
  503    HA   ASN  83           HA       ASN  83   5.354 -13.047  13.720
  504   1HB   ASN  83           HB2      ASN  83   5.795 -10.630  13.275
  505   2HB   ASN  83           HB1      ASN  83   6.675 -11.262  14.664
  506   1HD2  ASN  83          1HD2      ASN  83   8.607 -10.407  14.783
  507   2HD2  ASN  83          2HD2      ASN  83   9.666 -10.079  13.458
  508    H    TRP  84           HN       TRP  84   3.939 -12.758  12.077
  509    HA   TRP  84           HA       TRP  84   4.700 -13.594   9.472
  510   1HB   TRP  84           HB2      TRP  84   2.172 -12.615  10.734
  511   2HB   TRP  84           HB1      TRP  84   2.272 -12.693   8.978
  512    HD1  TRP  84           HD1      TRP  84   0.809 -14.648  11.479
  513    HE1  TRP  84           HE1      TRP  84   0.835 -17.171  10.970
  514    HE3  TRP  84           HE3      TRP  84   4.399 -14.705   7.839
  515    HZ2  TRP  84           HZ2      TRP  84   2.197 -18.949   9.253
  516    HZ3  TRP  84           HZ3      TRP  84   5.005 -16.858   6.814
  517    HH2  TRP  84           HH2      TRP  84   3.925 -18.935   7.508
  518    H    CYS  85           HN       CYS  85   6.135 -12.255   8.479
  519    HA   CYS  85           HA       CYS  85   5.610  -9.392   8.362
  520   1HB   CYS  85           HB2      CYS  85   7.873  -9.578   8.613
  521   2HB   CYS  85           HB1      CYS  85   7.947 -11.125   7.770
  522    H    GLY  86           HN       GLY  86   5.648  -8.237   6.406
  523   1HA   GLY  86           HA1      GLY  86   4.278  -8.062   4.396
  524   2HA   GLY  86           HA2      GLY  86   4.677  -9.750   4.065
  525    H    ILE  87           HN       ILE  87   6.305 -10.024   2.625
  526    HA   ILE  87           HA       ILE  87   8.817  -9.003   2.831
  527    HB   ILE  87           HB       ILE  87   7.392 -10.517   0.879
  528   1HG1  ILE  87          2HG1      ILE  87   9.502 -11.567   0.545
  529   2HG1  ILE  87          1HG1      ILE  87  10.376 -10.142   1.097
  530   1HG2  ILE  87          3HG2      ILE  87   9.254  -8.482  -0.336
  531   2HG2  ILE  87          2HG2      ILE  87   8.590  -9.887  -1.168
  532   3HG2  ILE  87          1HG2      ILE  87   7.516  -8.604  -0.610
  533   1HD1  ILE  87          1HD1      ILE  87   8.522 -11.619   2.917
  534   2HD1  ILE  87          3HD1      ILE  87  10.186 -12.151   2.663
  535   3HD1  ILE  87          2HD1      ILE  87   9.864 -10.548   3.322
  536    H    LYS  88           HN       LYS  88   9.795  -7.176   2.538
  537    HA   LYS  88           HA       LYS  88   8.718  -4.730   2.222
  538   1HB   LYS  88           HB2      LYS  88  11.335  -5.111   0.861
  539   2HB   LYS  88           HB1      LYS  88  10.833  -3.866   1.991
  540   1HG   LYS  88           HG2      LYS  88  11.670  -6.683   2.617
  541   2HG   LYS  88           HG1      LYS  88  12.492  -5.186   3.052
  542   1HD   LYS  88           HD2      LYS  88   9.702  -5.500   3.988
  543   2HD   LYS  88           HD1      LYS  88  10.915  -6.532   4.744
  544   1HE   LYS  88           HE2      LYS  88  11.129  -3.533   4.514
  545   2HE   LYS  88           HE1      LYS  88  10.527  -4.381   5.937
  546   1HZ   LYS  88           HZ2      LYS  88  13.155  -5.132   4.880
  547   2HZ   LYS  88           HZ1      LYS  88  13.025  -3.679   5.735
  548   3HZ   LYS  88           HZ3      LYS  88  12.592  -5.138   6.475
  549    H    ASN  89           HN       ASN  89   8.492  -3.190   0.562
  550    HA   ASN  89           HA       ASN  89   7.422  -4.223  -1.854
  551   1HB   ASN  89           HB2      ASN  89   6.778  -2.043  -2.339
  552   2HB   ASN  89           HB1      ASN  89   6.869  -2.006  -0.582
  553   1HD2  ASN  89          1HD2      ASN  89   9.690  -1.899  -0.363
  554   2HD2  ASN  89          2HD2      ASN  89  10.202  -0.346  -0.915
  555    H    SER  90           HN       SER  90  10.577  -3.598  -0.856
  556    HA   SER  90           HA       SER  90  11.613  -2.991  -3.498
  557   1HB   SER  90           HB2      SER  90  12.742  -1.840  -1.767
  558   2HB   SER  90           HB1      SER  90  12.846  -3.287  -0.765
  559    HG   SER  90           HG       SER  90  14.349  -2.578  -3.035
  560    H    CYS  91           HN       CYS  91  11.181  -5.675  -1.376
  561    HA   CYS  91           HA       CYS  91  12.961  -7.408  -2.878
  562   1HB   CYS  91           HB2      CYS  91  11.171  -7.969  -0.507
  563   2HB   CYS  91           HB1      CYS  91  12.297  -9.114  -1.216
  564    H    LYS  92           HN       LYS  92  11.331  -6.711  -4.721
  565    HA   LYS  92           HA       LYS  92   9.304  -8.835  -4.900
  566   1HB   LYS  92           HB2      LYS  92   9.182  -6.102  -6.182
  567   2HB   LYS  92           HB1      LYS  92   7.959  -7.359  -6.304
  568   1HG   LYS  92           HG2      LYS  92   7.369  -7.140  -4.024
  569   2HG   LYS  92           HG1      LYS  92   8.784  -6.142  -3.683
  570   1HD   LYS  92           HD2      LYS  92   6.696  -4.828  -3.825
  571   2HD   LYS  92           HD1      LYS  92   7.888  -4.342  -5.029
  572   1HE   LYS  92           HE2      LYS  92   6.555  -4.907  -6.732
  573   2HE   LYS  92           HE1      LYS  92   6.103  -6.438  -5.979
  574   1HZ   LYS  92           HZ2      LYS  92   4.587  -5.102  -4.523
  575   2HZ   LYS  92           HZ1      LYS  92   4.896  -3.770  -5.517
  576   3HZ   LYS  92           HZ3      LYS  92   4.149  -5.147  -6.156
  577    H    GLN  93           HN       GLN  93  11.374  -6.691  -6.812
  578    HA   GLN  93           HA       GLN  93  12.319  -8.887  -8.383
  579   1HB   GLN  93           HB2      GLN  93  11.567  -7.546 -10.541
  580   2HB   GLN  93           HB1      GLN  93  10.546  -8.768  -9.802
  581   1HG   GLN  93           HG2      GLN  93  10.073  -6.183  -8.622
  582   2HG   GLN  93           HG1      GLN  93   9.884  -6.128 -10.374
  583   1HE2  GLN  93          1HE2      GLN  93   8.901  -8.610 -10.916
  584   2HE2  GLN  93          2HE2      GLN  93   7.346  -8.801 -10.188
  585    H    GLN  94           HN       GLN  94  11.976  -5.562  -9.503
  586    HA   GLN  94           HA       GLN  94  14.748  -4.982  -8.796
  587   1HB   GLN  94           HB2      GLN  94  13.642  -5.060 -11.595
  588   2HB   GLN  94           HB1      GLN  94  15.031  -4.065 -11.186
  589   1HG   GLN  94           HG2      GLN  94  16.411  -5.808 -11.171
  590   2HG   GLN  94           HG1      GLN  94  15.289  -6.801 -10.242
  591   1HE2  GLN  94          1HE2      GLN  94  14.784  -5.275 -13.379
  592   2HE2  GLN  94          2HE2      GLN  94  14.560  -6.745 -14.261
  593    HA   PRO  95           HA       PRO  95  13.472  -0.867  -7.909
  594   1HB   PRO  95           HB2      PRO  95  15.183   0.611  -9.568
  595   2HB   PRO  95           HB1      PRO  95  15.527   0.092  -7.916
  596   1HG   PRO  95           HG2      PRO  95  16.353  -1.139 -10.501
  597   2HG   PRO  95           HG1      PRO  95  17.243  -1.028  -8.971
  598   1HD   PRO  95           HD2      PRO  95  16.107  -3.321  -9.749
  599   2HD   PRO  95           HD1      PRO  95  16.110  -2.833  -8.041
  600    H    GLN  96           HN       GLN  96  11.413  -1.102  -8.910
  601    HA   GLN  96           HA       GLN  96  10.943  -0.670 -11.658
  602   1HB   GLN  96           HB2      GLN  96   9.333  -0.969  -9.223
  603   2HB   GLN  96           HB1      GLN  96   8.591   0.061 -10.440
  604   1HG   GLN  96           HG2      GLN  96   9.700  -2.595 -11.223
  605   2HG   GLN  96           HG1      GLN  96   8.129  -2.494 -10.427
  606   1HE2  GLN  96          1HE2      GLN  96   7.964  -3.549 -12.776
  607   2HE2  GLN  96          2HE2      GLN  96   7.388  -2.449 -13.976
  608    H    ASN  97           HN       ASN  97  11.726   1.158 -12.546
  609    HA   ASN  97           HA       ASN  97  10.369   3.587 -12.208
  610   1HB   ASN  97           HB2      ASN  97  12.367   4.919 -11.328
  611   2HB   ASN  97           HB1      ASN  97  11.476   3.955 -10.153
  612   1HD2  ASN  97          1HD2      ASN  97  13.380   4.080  -8.849
  613   2HD2  ASN  97          2HD2      ASN  97  14.704   3.009  -9.143
  614    H    ASN  98           HN       ASN  98  10.457   4.455 -14.164
  615    HA   ASN  98           HA       ASN  98  12.347   3.613 -16.114
  616   1HB   ASN  98           HB2      ASN  98   9.853   4.822 -16.165
  617   2HB   ASN  98           HB1      ASN  98  10.929   6.080 -16.765
  618   1HD2  ASN  98          1HD2      ASN  98  12.680   5.025 -18.306
  619   2HD2  ASN  98          2HD2      ASN  98  12.000   4.067 -19.572
  620    H    ASN  99           HN       ASN  99  14.281   4.414 -16.606
  621    HA   ASN  99           HA       ASN  99  15.539   6.380 -15.054
  622   1HB   ASN  99           HB2      ASN  99  16.694   4.579 -16.363
  623   2HB   ASN  99           HB1      ASN  99  16.351   5.493 -17.829
  624   1HD2  ASN  99          1HD2      ASN  99  17.690   6.069 -14.590
  625   2HD2  ASN  99          2HD2      ASN  99  19.022   7.029 -15.128
  626    H    GLN 100           HN       GLN 100  16.446   8.435 -15.793
  627    HA   GLN 100           HA       GLN 100  14.472  10.164 -16.791
  628   1HB   GLN 100           HB2      GLN 100  16.285  11.857 -16.862
  629   2HB   GLN 100           HB1      GLN 100  16.214  10.989 -15.335
  630   1HG   GLN 100           HG2      GLN 100  18.132   9.727 -15.844
  631   2HG   GLN 100           HG1      GLN 100  18.087  10.200 -17.541
  632   1HE2  GLN 100          1HE2      GLN 100  19.041  12.063 -18.170
  633   2HE2  GLN 100          2HE2      GLN 100  19.911  13.114 -17.109

  No H/Q in entry =         633