*HEADER    BINDING PROTEIN                         23-DEC-04   2BGO
*TITLE     MANNAN BINDING MODULE FROM MAN5C
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ENDO-B1,4-MANNANASE 5C;
*COMPND   3 SYNONYM: CBM35 FROM BETA-1,4-MANNANASE MAN5C;
*COMPND   4 CHAIN: A;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 OTHER_DETAILS: MANNAN SPECIFIC CARBOHYDRATE BINDING MODULE
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: JM83 (DE3);
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: PET22B;
*SOURCE   5 EXPRESSION_SYSTEM_PLASMID: PGP1;
*SOURCE   6 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS
*KEYWDS    MANNAN, CARBOHYDRATE BINDING MODULE
*EXPDTA    NMR, 5 STRUCTURES
*AUTHOR    R.B.TUNNICLIFFE,D.N.BOLAM,G.PELL,H.J.GILBERT,M.P.WILLIAMSON
*REVDAT   1   06-JAN-05 2BGO    0




NOE
assign ( resid   2 and name   ha ) ( resid   2 and name  hb+ )   3.8   2.0   0.0
assign ( resid   3 and name   ha ) ( resid   3 and name   hb )   3.8   2.0   0.0
assign ( resid   3 and name   ha ) ( resid   3 and name hg1+ )   3.8   2.0   0.0
assign ( resid   3 and name   ha ) ( resid   3 and name hg2+ )   3.8   2.0   0.0
assign ( resid   3 and name   hb ) ( resid   3 and name hg1+ )   5.0   3.2   0.0
assign ( resid   3 and name   hb ) ( resid   3 and name hg2+ )   2.8   1.0   0.0
assign ( resid   3 and name   ha ) ( resid   4 and name  hd+ )   3.8   2.0   0.0
assign ( resid   3 and name   hb ) ( resid   4 and name  hd+ )   5.0   3.2   0.0
assign ( resid   3 and name hg1+ ) ( resid   4 and name  hd+ )   5.0   3.2   0.0
assign ( resid   3 and name   ha ) ( resid   9 and name  hh2 )   5.0   3.2   0.0
assign ( resid   3 and name hg1+ ) ( resid  11 and name  hb+ )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   4 and name  hb+ )   3.8   2.0   0.0
assign ( resid   4 and name  hb+ ) ( resid   4 and name  hd+ )   5.0   3.2   0.0
assign ( resid   4 and name  hb+ ) ( resid   4 and name  hg+ )   5.0   3.2   0.0
assign ( resid   4 and name   ha ) ( resid   5 and name   hn )   2.8   1.0   0.0
assign ( resid   4 and name   ha ) ( resid   5 and name  hg+ )   5.0   3.2   0.0
assign ( resid   4 and name  hb+ ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   4 and name  hd+ ) ( resid 127 and name hg2+ )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name  hb+ )   3.8   2.0   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name  hg+ )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hb+ ) ( resid   5 and name  hg+ )   2.8   1.0   0.0
assign ( resid   5 and name  hb+ ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name  hg+ ) ( resid   5 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name   ha ) ( resid   6 and name   hn )   3.8   2.0   0.0
assign ( resid   6 and name  ha+ ) ( 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   7 and name   ha ) ( resid   7 and name  hb+ )   3.8   2.0   0.0
assign ( resid   7 and name   ha ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid   7 and name hd2+ )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid   7 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name   ha ) ( 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  hh2 )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid 121 and name  hb+ )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid 121 and name   hg )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid   8 and name   ha ) ( resid   8 and name  hb+ )   3.8   2.0   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 )   2.8   1.0   0.0
assign ( resid   8 and name  hb+ ) ( resid   9 and name   hn )   3.8   2.0   0.0
assign ( resid   8 and name   hn ) ( resid   9 and name  hz3 )   5.0   3.2   0.0
assign ( resid   8 and name  hb+ ) ( resid 118 and name  he+ )   5.0   3.2   0.0
assign ( resid   8 and name   ha ) ( resid 120 and name   ha )   3.8   2.0   0.0
assign ( resid   8 and name   ha ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid   9 and name  hb+ )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid   9 and name  hd1 )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid   9 and name  hd1 )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hd1 ) ( resid   9 and name  he1 )   3.8   2.0   0.0
assign ( resid   9 and name  he1 ) ( resid   9 and name  hz2 )   5.0   3.2   0.0
assign ( resid   9 and name  he3 ) ( resid   9 and name  hz3 )   5.0   3.2   0.0
assign ( resid   9 and name  he3 ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hh2 ) ( resid   9 and name  hz2 )   3.8   2.0   0.0
assign ( resid   9 and name  hh2 ) ( resid   9 and name  hz3 )   3.8   2.0   0.0
assign ( resid   9 and name   ha ) ( resid  10 and name   hn )   2.8   1.0   0.0
assign ( resid   9 and name  hb+ ) ( resid  11 and name  he+ )   5.0   3.2   0.0
assign ( resid   9 and name  hz2 ) ( resid  45 and name  hg+ )   5.0   3.2   0.0
assign ( resid   9 and name  he3 ) ( resid 119 and name  hb+ )   5.0   3.2   0.0
assign ( resid   9 and name   hn ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name   hn ) ( resid 120 and name   ha )   5.0   3.2   0.0
assign ( resid   9 and name   hn ) ( resid 120 and name  hg+ )   5.0   3.2   0.0
assign ( resid   9 and name  hh2 ) ( resid 121 and name   hg )   5.0   3.2   0.0
assign ( resid  10 and name   ha ) ( resid  10 and name   hb )   5.0   3.2   0.0
assign ( resid  10 and name   ha ) ( resid  10 and name hg2+ )   2.8   1.0   0.0
assign ( resid  10 and name   ha ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid  10 and name   hb ) ( resid  10 and name hg2+ )   2.8   1.0   0.0
assign ( resid  10 and name   hb ) ( resid  10 and name   hn )   3.8   2.0   0.0
assign ( resid  10 and name hg2+ ) ( resid  10 and name   hn )   3.8   2.0   0.0
assign ( resid  10 and name   ha ) ( resid  11 and name   hn )   2.8   1.0   0.0
assign ( resid  10 and name hg2+ ) ( resid  11 and name  hb+ )   5.0   3.2   0.0
assign ( resid  10 and name hg2+ ) ( resid  11 and name   hn )   3.8   2.0   0.0
assign ( resid  10 and name   hb ) ( resid  12 and name   ha )   5.0   3.2   0.0
assign ( resid  10 and name hg2+ ) ( resid  12 and name hg2+ )   3.8   2.0   0.0
assign ( resid  10 and name hg2+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid  10 and name   ha ) ( resid 118 and name   ha )   3.8   2.0   0.0
assign ( resid  10 and name hg2+ ) ( resid 118 and name   ha )   5.0   3.2   0.0
assign ( resid  10 and name hg2+ ) ( resid 118 and name  he+ )   5.0   3.2   0.0
assign ( resid  10 and name hg2+ ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid  10 and name   ha ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name   hn )   3.8   2.0   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+ )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  11 and name  hd+ )   3.8   2.0   0.0
assign ( resid  11 and name  hb+ ) ( resid  11 and name  he+ )   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  hd+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  12 and name   hn )   2.8   1.0   0.0
assign ( resid  11 and name   ha ) ( resid  12 and name hg2+ )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  40 and name  he1 )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  40 and name  hd1 )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  40 and name  hd1 )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid  42 and name hg1+ )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid  42 and name hg2+ )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid  42 and name hg1+ )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid 117 and name   hg )   5.0   3.2   0.0
assign ( resid  11 and name   hn ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name   hn ) ( resid 118 and name   ha )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid 119 and name hd1+ )   5.0   3.2   0.0
assign ( resid  11 and name  hd+ ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name  he+ ) ( resid 119 and name hd1+ )   5.0   3.2   0.0
assign ( resid  12 and name   ha ) ( resid  12 and name hg2+ )   2.8   1.0   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 hg2+ )   2.8   1.0   0.0
assign ( resid  12 and name hg2+ ) ( resid  12 and name   hn )   2.8   1.0   0.0
assign ( resid  12 and name   ha ) ( resid  13 and name  hb+ )   5.0   3.2   0.0
assign ( resid  12 and name   ha ) ( resid  13 and name   hn )   2.8   1.0   0.0
assign ( resid  12 and name   hb ) ( resid  13 and name   hn )   3.8   2.0   0.0
assign ( resid  12 and name hg2+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name   hb ) ( resid  14 and name   hn )   3.8   2.0   0.0
assign ( resid  12 and name   hb ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  12 and name hg2+ ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  12 and name hg2+ ) ( resid  27 and name hd2+ )   5.0   3.2   0.0
assign ( resid  12 and name   ha ) ( resid 116 and name   ha )   3.8   2.0   0.0
assign ( resid  12 and name   ha ) ( resid 116 and name  hb+ )   5.0   3.2   0.0
assign ( resid  12 and name hg2+ ) ( resid 116 and name  hb+ )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name  hb+ )   2.8   1.0   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 )   2.8   1.0   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   hn ) ( resid  14 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  15 and name   hn )   3.8   2.0   0.0
assign ( resid  13 and name   ha ) ( resid  16 and name  hb+ )   2.8   1.0   0.0
assign ( resid  13 and name   ha ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  16 and name  hb+ )   3.8   2.0   0.0
assign ( resid  13 and name  hb+ ) ( resid  18 and name hd1+ )   2.8   1.0   0.0
assign ( resid  13 and name  hb+ ) ( resid  24 and name hd++ )   2.8   1.0   0.0
assign ( resid  13 and name  hb+ ) ( resid  28 and name   ha )   3.8   2.0   0.0
assign ( resid  13 and name  hb+ ) ( resid  28 and name hg1+ )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  29 and name  ha+ )   3.8   2.0   0.0
assign ( resid  13 and name  hb+ ) ( resid  29 and name   hn )   3.8   2.0   0.0
assign ( resid  13 and name  hb+ ) ( resid  38 and name hg1+ )   2.8   1.0   0.0
assign ( resid  13 and name   ha ) ( resid  40 and name  hz2 )   3.8   2.0   0.0
assign ( resid  13 and name   ha ) ( resid  40 and name  he1 )   3.8   2.0   0.0
assign ( resid  13 and name  hb+ ) ( resid  40 and name  hz2 )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid  40 and name  hz3 )   3.8   2.0   0.0
assign ( resid  13 and name   hn ) ( resid  40 and name  hz2 )   5.0   3.2   0.0
assign ( resid  13 and name  hb+ ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  14 and name  hb+ )   2.8   1.0   0.0
assign ( resid  14 and name   ha ) ( resid  14 and name   hn )   3.8   2.0   0.0
assign ( resid  14 and name  hb+ ) ( resid  14 and name   hn )   2.8   1.0   0.0
assign ( resid  14 and name   ha ) ( resid  15 and name   ha )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  15 and name   hn )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  15 and name   hn )   3.8   2.0   0.0
assign ( resid  14 and name   hn ) ( resid  15 and name   hn )   3.8   2.0   0.0
assign ( resid  14 and name   hn ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  24 and name hd++ )   2.8   1.0   0.0
assign ( resid  14 and name   ha ) ( resid  24 and name   hg )   2.8   1.0   0.0
assign ( resid  14 and name  hb+ ) ( resid  24 and name hd++ )   3.8   2.0   0.0
assign ( resid  14 and name  hb+ ) ( resid  24 and name   hg )   2.8   1.0   0.0
assign ( resid  14 and name   hn ) ( resid  24 and name hd++ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name  hb+ )   3.8   2.0   0.0
assign ( resid  15 and name  hb+ ) ( resid  15 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name   hn ) ( resid  16 and name  hb+ )   5.0   3.2   0.0
assign ( resid  15 and name   hn ) ( resid  16 and name   hn )   2.8   1.0   0.0
assign ( resid  15 and name   hn ) ( resid  40 and name  he1 )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name  hb+ )   2.8   1.0   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name   hn )   3.8   2.0   0.0
assign ( resid  16 and name  hb+ ) ( resid  16 and name   hn )   2.8   1.0   0.0
assign ( resid  16 and name   ha ) ( resid  17 and name   hn )   2.8   1.0   0.0
assign ( resid  16 and name  hb+ ) ( resid  17 and name  hb+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  17 and name   hn )   2.8   1.0   0.0
assign ( resid  16 and name  hb+ ) ( resid  18 and name hd1+ )   3.8   2.0   0.0
assign ( resid  16 and name  hb+ ) ( resid  18 and name hg1+ )   5.0   3.2   0.0
assign ( resid  16 and name   hn ) ( resid  18 and name hd1+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  24 and name hd++ )   3.8   2.0   0.0
assign ( resid  16 and name  hb+ ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  39 and name   hn )   3.8   2.0   0.0
assign ( resid  16 and name   ha ) ( resid  40 and name   ha )   3.8   2.0   0.0
assign ( resid  16 and name   ha ) ( resid  40 and name  hd1 )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  40 and name   ha )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  40 and name  hd1 )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  40 and name  he1 )   3.8   2.0   0.0
assign ( resid  16 and name  hb+ ) ( resid  40 and name  hz3 )   5.0   3.2   0.0
assign ( resid  16 and name   hn ) ( resid  40 and name  he1 )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name  hb+ )   2.8   1.0   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  17 and name   hn )   2.8   1.0   0.0
assign ( resid  17 and name   ha ) ( resid  18 and name   hb )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  18 and name   hn )   2.8   1.0   0.0
assign ( resid  17 and name  hb+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   hn ) ( resid  18 and name hd1+ )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  39 and name   hb )   3.8   2.0   0.0
assign ( resid  17 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   hn ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   hn ) ( resid  40 and name   ha )   5.0   3.2   0.0
assign ( resid  17 and name  hb+ ) ( resid  41 and name hd2+ )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name   hb )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name hd1+ )   3.8   2.0   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name hg1+ )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name hg2+ )   2.8   1.0   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 hd1+ )   3.8   2.0   0.0
assign ( resid  18 and name   hb ) ( resid  18 and name hg1+ )   3.8   2.0   0.0
assign ( resid  18 and name   hb ) ( resid  18 and name hg2+ )   2.8   1.0   0.0
assign ( resid  18 and name   hb ) ( resid  18 and name   hn )   2.8   1.0   0.0
assign ( resid  18 and name hd1+ ) ( resid  18 and name hg1+ )   5.0   3.2   0.0
assign ( resid  18 and name hd1+ ) ( resid  18 and name hg2+ )   2.8   1.0   0.0
assign ( resid  18 and name hd1+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name hg1+ ) ( resid  18 and name hg2+ )   5.0   3.2   0.0
assign ( resid  18 and name hg1+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name hg2+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  19 and name   hn )   2.8   1.0   0.0
assign ( resid  18 and name hd1+ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name hg2+ ) ( resid  19 and name   hn )   3.8   2.0   0.0
assign ( resid  18 and name hg2+ ) ( resid  22 and name  hb+ )   2.8   1.0   0.0
assign ( resid  18 and name hg2+ ) ( resid  23 and name   ha )   2.8   1.0   0.0
assign ( resid  18 and name hg2+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name hd1+ ) ( resid  24 and name   hg )   3.8   2.0   0.0
assign ( resid  18 and name hd1+ ) ( resid  24 and name   hn )   3.8   2.0   0.0
assign ( resid  18 and name hd1+ ) ( resid  24 and name  hb+ )   5.0   3.2   0.0
assign ( resid  18 and name hg1+ ) ( resid  24 and name   hg )   2.8   1.0   0.0
assign ( resid  18 and name hg1+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name hg1+ ) ( resid  24 and name  hb+ )   2.8   1.0   0.0
assign ( resid  18 and name hg1+ ) ( resid  24 and name hd++ )   2.8   1.0   0.0
assign ( resid  18 and name hg2+ ) ( resid  24 and name   hn )   3.8   2.0   0.0
assign ( resid  18 and name hg1+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name hd1+ ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  18 and name hd1+ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name hg1+ ) ( resid  31 and name hd2+ )   3.8   2.0   0.0
assign ( resid  18 and name   ha ) ( resid  38 and name   ha )   3.8   2.0   0.0
assign ( resid  18 and name hd1+ ) ( resid  38 and name   ha )   3.8   2.0   0.0
assign ( resid  18 and name hd1+ ) ( resid  38 and name hg1+ )   2.8   1.0   0.0
assign ( resid  18 and name hg1+ ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  18 and name hg1+ ) ( resid  38 and name hg1+ )   5.0   3.2   0.0
assign ( resid  18 and name hg2+ ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name   hb )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name hg2+ )   2.8   1.0   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   hb ) ( resid  19 and name hg2+ )   2.8   1.0   0.0
assign ( resid  19 and name   hb ) ( resid  19 and name   hn )   3.8   2.0   0.0
assign ( resid  19 and name hg2+ ) ( resid  19 and name   hn )   3.8   2.0   0.0
assign ( resid  19 and name   ha ) ( resid  20 and name   ha )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  20 and name   hn )   2.8   1.0   0.0
assign ( resid  19 and name   ha ) ( resid  20 and name  hb+ )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  22 and name  hb+ )   5.0   3.2   0.0
assign ( resid  19 and name hg2+ ) ( resid  36 and name   ha )   3.8   2.0   0.0
assign ( resid  19 and name   hb ) ( resid  37 and name  hb+ )   2.8   1.0   0.0
assign ( resid  19 and name   hb ) ( resid  37 and name   hn )   2.8   1.0   0.0
assign ( resid  19 and name   hn ) ( resid  37 and name   ha )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  37 and name  hb+ )   3.8   2.0   0.0
assign ( resid  19 and name   hn ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name  hb+ )   2.8   1.0   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name   hn )   3.8   2.0   0.0
assign ( resid  20 and name  hb+ ) ( resid  20 and name   hn )   2.8   1.0   0.0
assign ( resid  20 and name   ha ) ( resid  21 and name   ha )   2.8   1.0   0.0
assign ( resid  20 and name  hb+ ) ( resid  21 and name   ha )   2.8   1.0   0.0
assign ( resid  20 and name  hb+ ) ( resid  21 and name  hb+ )   5.0   3.2   0.0
assign ( resid  20 and name  hb+ ) ( resid  21 and name  hd+ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  22 and name  hb+ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  22 and name   hn )   2.8   1.0   0.0
assign ( resid  20 and name  hb+ ) ( resid  22 and name   hn )   3.8   2.0   0.0
assign ( resid  20 and name   ha ) ( resid  23 and name he2+ )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  hb+ )   3.8   2.0   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  hg+ )   5.0   3.2   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name  hd+ )   5.0   3.2   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name  hg+ )   5.0   3.2   0.0
assign ( resid  21 and name  hd+ ) ( resid  21 and name  hg+ )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  22 and name   hn )   3.8   2.0   0.0
assign ( resid  21 and name  hg+ ) ( resid  31 and name  hb+ )   3.8   2.0   0.0
assign ( resid  21 and name  hb+ ) ( resid  32 and name  hb+ )   3.8   2.0   0.0
assign ( resid  21 and name  hg+ ) ( resid  32 and name  hb+ )   5.0   3.2   0.0
assign ( resid  21 and name  hg+ ) ( resid  33 and name  ha+ )   5.0   3.2   0.0
assign ( resid  21 and name  hd+ ) ( resid  36 and name   ha )   5.0   3.2   0.0
assign ( resid  21 and name  hd+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  hg+ ) ( resid  36 and name   hg )   5.0   3.2   0.0
assign ( resid  21 and name  hg+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name  hb+ )   2.8   1.0   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name   hn )   3.8   2.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  22 and name   hn )   2.8   1.0   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   hn )   2.8   1.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  23 and name   hn )   2.8   1.0   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  31 and name   ha )   3.8   2.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  31 and name   ha )   2.8   1.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  31 and name hd2+ )   2.8   1.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  36 and name   ha )   3.8   2.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  36 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  36 and name   ha )   3.8   2.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  37 and name   hn )   3.8   2.0   0.0
assign ( resid  22 and name   hn ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  38 and name hg2+ )   2.8   1.0   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name  hb+ )   3.8   2.0   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name  hg+ )   5.0   3.2   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+ )   2.8   1.0   0.0
assign ( resid  23 and name  hb+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  23 and name he2+ )   5.0   3.2   0.0
assign ( resid  23 and name he2+ ) ( resid  23 and name  hg+ )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  23 and name   hn )   3.8   2.0   0.0
assign ( resid  23 and name   ha ) ( resid  24 and name   hn )   2.8   1.0   0.0
assign ( resid  23 and name  hb+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  24 and name hd++ )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  25 and name hg++ )   5.0   3.2   0.0
assign ( resid  23 and name he2+ ) ( resid  25 and name hg++ )   5.0   3.2   0.0
assign ( resid  23 and name  hg+ ) ( resid  25 and name hg++ )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  31 and name   ha )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  31 and name hd2+ )   5.0   3.2   0.0
assign ( resid  23 and name he2+ ) ( resid  32 and name he2+ )   2.8   1.0   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name   hn )   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++ )   2.8   1.0   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name   hg )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name hd++ )   3.8   2.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name   hg )   3.8   2.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name   hn )   3.8   2.0   0.0
assign ( resid  24 and name hd++ ) ( resid  24 and name   hg )   2.8   1.0   0.0
assign ( resid  24 and name hd++ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   hg ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  25 and name hg++ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  25 and name   hn )   2.8   1.0   0.0
assign ( resid  24 and name hd++ ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name hd++ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  24 and name hd++ ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name hd++ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name   hb )   3.8   2.0   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name hg++ )   2.8   1.0   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name hg++ )   2.8   1.0   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  25 and name hg++ ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  25 and name   ha ) ( resid  26 and name   hn )   3.8   2.0   0.0
assign ( resid  25 and name   ha ) ( resid  26 and name  ha+ )   5.0   3.2   0.0
assign ( resid  25 and name hg++ ) ( resid  26 and name  ha+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  28 and name hg2+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  29 and name  ha+ )   5.0   3.2   0.0
assign ( resid  25 and name hg++ ) ( resid  30 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name hg++ ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  25 and name hg++ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  ha+ ) ( resid  26 and name   hn )   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   hn ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name  ha+ ) ( resid  28 and name hg2+ )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name  hb+ )   3.8   2.0   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name hd2+ )   2.8   1.0   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name   hn )   2.8   1.0   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name hd2+ )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  27 and name   hn ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hb )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name hg1+ )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name hg2+ )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  28 and name   hb ) ( resid  28 and name hg1+ )   2.8   1.0   0.0
assign ( resid  28 and name   hb ) ( resid  28 and name hg2+ )   2.8   1.0   0.0
assign ( resid  28 and name   hb ) ( resid  28 and name   hn )   2.8   1.0   0.0
assign ( resid  28 and name hg1+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name hg2+ ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  29 and name   hn )   2.8   1.0   0.0
assign ( resid  28 and name hg1+ ) ( resid  29 and name   hn )   3.8   2.0   0.0
assign ( resid  28 and name hg2+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   hb ) ( resid  30 and name  hg+ )   3.8   2.0   0.0
assign ( resid  28 and name hg1+ ) ( resid  30 and name  hg+ )   5.0   3.2   0.0
assign ( resid  28 and name hg1+ ) ( resid 113 and name   ha )   5.0   3.2   0.0
assign ( resid  28 and name hg1+ ) ( resid 113 and name  hb+ )   3.8   2.0   0.0
assign ( resid  28 and name hg1+ ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name hg1+ ) ( resid 115 and name   ha )   3.8   2.0   0.0
assign ( resid  28 and name hg1+ ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  30 and name   hn )   3.8   2.0   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  38 and name hg1+ )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid  38 and name hg2+ )   5.0   3.2   0.0
assign ( resid  29 and name  ha+ ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid 115 and name   ha )   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   ha ) ( resid  30 and name   hn )   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  hg+ )   2.8   1.0   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 )   2.8   1.0   0.0
assign ( resid  30 and name   hn ) ( resid  38 and name hg2+ )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid 113 and name   ha )   3.8   2.0   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 hd2+ )   3.8   2.0   0.0
assign ( resid  31 and name   ha ) ( resid  31 and name hd1+ )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  31 and name   hg )   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 hd2+ )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name   hg )   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  hb+ ) ( resid  31 and name hd1+ )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  31 and name   hg )   3.8   2.0   0.0
assign ( resid  31 and name hd2+ ) ( resid  31 and name   hn )   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 hd1+ ) ( resid  31 and name   hg )   5.0   3.2   0.0
assign ( resid  31 and name   hg ) ( resid  31 and name   hn )   3.8   2.0   0.0
assign ( resid  31 and name   ha ) ( resid  32 and name   hn )   3.8   2.0   0.0
assign ( resid  31 and name  hb+ ) ( resid  32 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  32 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name   hg ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  36 and name   ha )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  36 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name hd1+ ) ( resid  36 and name   hg )   5.0   3.2   0.0
assign ( resid  31 and name hd1+ ) ( resid  36 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  37 and name   hn )   3.8   2.0   0.0
assign ( resid  31 and name   ha ) ( resid  38 and name hg1+ )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  38 and name   hb )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  38 and name hg1+ )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid  38 and name   hn )   3.8   2.0   0.0
assign ( resid  31 and name hd1+ ) ( resid 102 and name   hb )   3.8   2.0   0.0
assign ( resid  31 and name hd1+ ) ( resid 102 and name hg1+ )   2.8   1.0   0.0
assign ( resid  31 and name hd2+ ) ( resid 103 and name   ha )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid 104 and name hg2+ )   5.0   3.2   0.0
assign ( resid  31 and name hd2+ ) ( resid 104 and name hg2+ )   2.8   1.0   0.0
assign ( resid  31 and name hd2+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name hd1+ ) ( resid 112 and name  he+ )   5.0   3.2   0.0
assign ( resid  31 and name hd1+ ) ( resid 112 and name  hg+ )   5.0   3.2   0.0
assign ( resid  31 and name hd1+ ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   hn ) ( resid 112 and name  hg+ )   5.0   3.2   0.0
assign ( resid  31 and name   hn ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   hn ) ( resid 113 and name   ha )   5.0   3.2   0.0
assign ( resid  31 and name hd1+ ) ( resid 114 and name hg2+ )   2.8   1.0   0.0
assign ( resid  31 and name hd1+ ) ( resid 114 and name hg1+ )   3.8   2.0   0.0
assign ( resid  31 and name   hg ) ( resid 114 and name hg2+ )   3.8   2.0   0.0
assign ( resid  31 and name   hn ) ( resid 114 and name hg2+ )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name  hb+ )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name  hg+ )   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  hb+ ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name  hb+ ) ( resid  32 and name  hg+ )   5.0   3.2   0.0
assign ( resid  32 and name he2+ ) ( resid  32 and name  hg+ )   5.0   3.2   0.0
assign ( resid  32 and name  hg+ ) ( 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  hb+ ) ( resid  33 and name   hn )   3.8   2.0   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  36 and name   ha )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  36 and name  hb+ )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  36 and name   hg )   3.8   2.0   0.0
assign ( resid  32 and name   ha ) ( resid 111 and name   ha )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid 111 and name  hd+ )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid 111 and name  he+ )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid 111 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name he2+ ) ( resid 111 and name  hd+ )   5.0   3.2   0.0
assign ( resid  32 and name  hg+ ) ( resid 111 and name  he+ )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  ha+ ) ( resid  33 and name   hn )   3.8   2.0   0.0
assign ( resid  33 and name  ha+ ) ( resid  34 and name  hb+ )   5.0   3.2   0.0
assign ( resid  33 and name  ha+ ) ( resid  34 and name   hn )   3.8   2.0   0.0
assign ( resid  33 and name  ha+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  ha+ ) ( resid 111 and name  he+ )   5.0   3.2   0.0
assign ( resid  33 and name  ha+ ) ( resid 111 and name  hd+ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name  hb+ )   2.8   1.0   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name   hn )   2.8   1.0   0.0
assign ( resid  34 and name   ha ) ( resid  35 and name   hn )   2.8   1.0   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name  ha+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name   hn )   3.8   2.0   0.0
assign ( resid  34 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid 103 and name  hd+ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid 104 and name   hb )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid 104 and name hg1+ )   2.8   1.0   0.0
assign ( resid  34 and name   ha ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid 104 and name hg1+ )   3.8   2.0   0.0
assign ( resid  34 and name   hn ) ( resid 104 and name hg1+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid 105 and name  ha+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid 106 and name   ha )   2.8   1.0   0.0
assign ( resid  34 and name  hb+ ) ( resid 106 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid 111 and name  he+ )   5.0   3.2   0.0
assign ( resid  35 and name  ha+ ) ( resid  35 and name   hn )   3.8   2.0   0.0
assign ( resid  35 and name  ha+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  36 and name   hn )   3.8   2.0   0.0
assign ( resid  35 and name  ha+ ) ( resid 104 and name   hb )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid 104 and name   hb )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid 104 and name hg1+ )   5.0   3.2   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name  hb+ )   5.0   3.2   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name   hn )   3.8   2.0   0.0
assign ( resid  36 and name  hb+ ) ( resid  36 and name   hg )   5.0   3.2   0.0
assign ( resid  36 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hg ) ( resid  36 and name   hn )   2.8   1.0   0.0
assign ( resid  36 and name   ha ) ( resid  37 and name   hn )   2.8   1.0   0.0
assign ( resid  36 and name   ha ) ( resid  37 and name  hb+ )   5.0   3.2   0.0
assign ( resid  36 and name  hb+ ) ( resid 104 and name hg2+ )   5.0   3.2   0.0
assign ( resid  36 and name  hb+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name  hb+ ) ( resid 104 and name   hb )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid 104 and name   hb )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid 104 and name hg2+ )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name  hb+ )   2.8   1.0   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  37 and name   hn )   2.8   1.0   0.0
assign ( resid  37 and name   ha ) ( resid  38 and name   hn )   2.8   1.0   0.0
assign ( resid  37 and name  hb+ ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  38 and name   hn )   3.8   2.0   0.0
assign ( resid  37 and name  hb+ ) ( resid  39 and name hd1+ )   2.8   1.0   0.0
assign ( resid  37 and name  hb+ ) ( resid  39 and name hg1+ )   2.8   1.0   0.0
assign ( resid  37 and name  hb+ ) ( resid  68 and name hg2+ )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  68 and name hg1+ )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid 103 and name   ha )   2.8   1.0   0.0
assign ( resid  37 and name  hb+ ) ( resid 103 and name   ha )   3.8   2.0   0.0
assign ( resid  37 and name  hb+ ) ( resid 103 and name  hb+ )   3.8   2.0   0.0
assign ( resid  37 and name  hb+ ) ( resid 103 and name  hd+ )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid 104 and name   hn )   3.8   2.0   0.0
assign ( resid  37 and name  hb+ ) ( resid 104 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 hg1+ )   2.8   1.0   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name hg2+ )   3.8   2.0   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 hg1+ )   2.8   1.0   0.0
assign ( resid  38 and name   hb ) ( resid  38 and name hg2+ )   2.8   1.0   0.0
assign ( resid  38 and name   hb ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name hg2+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  39 and name   hn )   2.8   1.0   0.0
assign ( resid  38 and name hg1+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name hg2+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   hn ) ( resid  39 and name hd1+ )   5.0   3.2   0.0
assign ( resid  38 and name hg1+ ) ( resid  40 and name  hh2 )   5.0   3.2   0.0
assign ( resid  38 and name hg1+ ) ( resid  40 and name  hz2 )   5.0   3.2   0.0
assign ( resid  38 and name hg1+ ) ( resid  40 and name  hz3 )   5.0   3.2   0.0
assign ( resid  38 and name   hb ) ( resid 102 and name hg2+ )   3.8   2.0   0.0
assign ( resid  38 and name   hn ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   hn ) ( resid 103 and name   ha )   5.0   3.2   0.0
assign ( resid  38 and name   hb ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid  38 and name   hb ) ( resid 114 and name hg2+ )   5.0   3.2   0.0
assign ( resid  38 and name   hb ) ( resid 114 and name hg1+ )   3.8   2.0   0.0
assign ( resid  38 and name hg1+ ) ( resid 114 and name hg2+ )   3.8   2.0   0.0
assign ( resid  38 and name hg1+ ) ( resid 114 and name hg1+ )   2.8   1.0   0.0
assign ( resid  38 and name hg1+ ) ( resid 114 and name   hb )   3.8   2.0   0.0
assign ( resid  38 and name hg2+ ) ( resid 114 and name   hb )   3.8   2.0   0.0
assign ( resid  38 and name hg2+ ) ( resid 114 and name hg2+ )   2.8   1.0   0.0
assign ( resid  38 and name hg2+ ) ( resid 114 and name hg1+ )   3.8   2.0   0.0
assign ( resid  38 and name hg1+ ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid  38 and name hg2+ ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name   hb )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name hd1+ )   2.8   1.0   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name hg1+ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name hg2+ )   3.8   2.0   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name   hn )   3.8   2.0   0.0
assign ( resid  39 and name   hb ) ( resid  39 and name hd1+ )   5.0   3.2   0.0
assign ( resid  39 and name   hb ) ( resid  39 and name hg1+ )   3.8   2.0   0.0
assign ( resid  39 and name   hb ) ( resid  39 and name hg2+ )   2.8   1.0   0.0
assign ( resid  39 and name   hb ) ( resid  39 and name   hn )   3.8   2.0   0.0
assign ( resid  39 and name hd1+ ) ( resid  39 and name hg1+ )   3.8   2.0   0.0
assign ( resid  39 and name hd1+ ) ( resid  39 and name hg2+ )   2.8   1.0   0.0
assign ( resid  39 and name hg1+ ) ( resid  39 and name hg2+ )   3.8   2.0   0.0
assign ( resid  39 and name hg1+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name hg2+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name  he3 )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name   hn )   2.8   1.0   0.0
assign ( resid  39 and name hd1+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name hg2+ ) ( resid  40 and name   hn )   3.8   2.0   0.0
assign ( resid  39 and name hg2+ ) ( resid  41 and name hd2+ )   5.0   3.2   0.0
assign ( resid  39 and name hd1+ ) ( resid  68 and name   hb )   3.8   2.0   0.0
assign ( resid  39 and name hd1+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name hg2+ ) ( resid  99 and name   ha )   5.0   3.2   0.0
assign ( resid  39 and name hg2+ ) ( resid  99 and name  hb+ )   3.8   2.0   0.0
assign ( resid  39 and name hg2+ ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid 101 and name  ha+ )   3.8   2.0   0.0
assign ( resid  39 and name hd1+ ) ( resid 101 and name  ha+ )   5.0   3.2   0.0
assign ( resid  39 and name hg2+ ) ( resid 101 and name  ha+ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid 102 and name   hn )   2.8   1.0   0.0
assign ( resid  39 and name hd1+ ) ( resid 102 and name   hn )   3.8   2.0   0.0
assign ( resid  39 and name hd1+ ) ( resid 103 and name  hb+ )   5.0   3.2   0.0
assign ( resid  39 and name hd1+ ) ( resid 103 and name  hd+ )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  40 and name  hb+ )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  40 and name  hd1 )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  40 and name  he3 )   5.0   3.2   0.0
assign ( resid  40 and name  hd1 ) ( resid  40 and name  he1 )   3.8   2.0   0.0
assign ( resid  40 and name  he1 ) ( resid  40 and name  hz2 )   5.0   3.2   0.0
assign ( resid  40 and name  he3 ) ( resid  40 and name   hn )   3.8   2.0   0.0
assign ( resid  40 and name  he3 ) ( resid  40 and name  hz3 )   5.0   3.2   0.0
assign ( resid  40 and name  hh2 ) ( resid  40 and name  hz2 )   2.8   1.0   0.0
assign ( resid  40 and name  hh2 ) ( resid  40 and name  hz3 )   3.8   2.0   0.0
assign ( resid  40 and name   ha ) ( resid  41 and name   hn )   2.8   1.0   0.0
assign ( resid  40 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hd1 ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  42 and name hg2+ )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  42 and name hg1+ )   3.8   2.0   0.0
assign ( resid  40 and name  hd1 ) ( resid  42 and name hg1+ )   5.0   3.2   0.0
assign ( resid  40 and name  hh2 ) ( resid  54 and name hd1+ )   5.0   3.2   0.0
assign ( resid  40 and name  hz3 ) ( resid  54 and name hd1+ )   3.8   2.0   0.0
assign ( resid  40 and name  hb+ ) ( resid 100 and name  hb+ )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  he3 ) ( resid 101 and name  ha+ )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid 101 and name  ha+ )   5.0   3.2   0.0
assign ( resid  40 and name  hh2 ) ( resid 114 and name hg2+ )   5.0   3.2   0.0
assign ( resid  40 and name  hh2 ) ( resid 114 and name hg1+ )   3.8   2.0   0.0
assign ( resid  40 and name  hz3 ) ( resid 114 and name hg1+ )   3.8   2.0   0.0
assign ( resid  40 and name  hh2 ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hh2 ) ( resid 116 and name   ha )   5.0   3.2   0.0
assign ( resid  40 and name  hh2 ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hz2 ) ( resid 116 and name   ha )   3.8   2.0   0.0
assign ( resid  40 and name  hb+ ) ( resid 117 and name   hg )   5.0   3.2   0.0
assign ( resid  40 and name  he3 ) ( resid 117 and name   hg )   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   hn )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  41 and name hd2+ )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hd2+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name   hn )   2.8   1.0   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name hg2+ )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hn ) ( resid  42 and name hg1+ )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  97 and name hd2+ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  99 and name   ha )   3.8   2.0   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name   hb )   2.8   1.0   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name hg2+ )   3.8   2.0   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name hg1+ )   3.8   2.0   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 hg2+ )   2.8   1.0   0.0
assign ( resid  42 and name   hb ) ( resid  42 and name hg1+ )   2.8   1.0   0.0
assign ( resid  42 and name   hb ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name hg2+ ) ( resid  42 and name   hn )   3.8   2.0   0.0
assign ( resid  42 and name hg1+ ) ( resid  42 and name   hn )   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   ha ) ( resid  43 and name   hn )   2.8   1.0   0.0
assign ( resid  42 and name   hb ) ( resid  43 and name   hn )   3.8   2.0   0.0
assign ( resid  42 and name hg2+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name hg1+ ) ( resid  43 and name   hn )   3.8   2.0   0.0
assign ( resid  42 and name hg2+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name hg2+ ) ( resid  99 and name   ha )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  99 and name   ha )   5.0   3.2   0.0
assign ( resid  42 and name hg2+ ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid  42 and name hg2+ ) ( resid 100 and name  he+ )   3.8   2.0   0.0
assign ( resid  42 and name hg2+ ) ( resid 100 and name   hz )   5.0   3.2   0.0
assign ( resid  42 and name hg1+ ) ( resid 100 and name  hd+ )   3.8   2.0   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  hb+ )   3.8   2.0   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   hn )   2.8   1.0   0.0
assign ( resid  43 and name   ha ) ( resid  44 and name   hn )   2.8   1.0   0.0
assign ( resid  43 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  97 and name   ha )   2.8   1.0   0.0
assign ( resid  43 and name  hb+ ) ( resid  97 and name hd2+ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name   hb )   3.8   2.0   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name hg2+ )   3.8   2.0   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name hg1+ )   3.8   2.0   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 hg2+ )   3.8   2.0   0.0
assign ( resid  44 and name   hb ) ( resid  44 and name hg1+ )   2.8   1.0   0.0
assign ( resid  44 and name   hb ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  44 and name   hn )   3.8   2.0   0.0
assign ( resid  44 and name hg1+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  45 and name  hd+ )   3.8   2.0   0.0
assign ( resid  44 and name   hb ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid  44 and name hg1+ ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hg1+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  50 and name  he+ )   5.0   3.2   0.0
assign ( resid  44 and name hg1+ ) ( resid  50 and name  he+ )   5.0   3.2   0.0
assign ( resid  44 and name hg1+ ) ( resid  50 and name   hh )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  93 and name hd1+ )   3.8   2.0   0.0
assign ( resid  44 and name hg1+ ) ( resid  93 and name hd2+ )   2.8   1.0   0.0
assign ( resid  44 and name   hb ) ( resid  95 and name   ha )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  95 and name   ha )   3.8   2.0   0.0
assign ( resid  44 and name hg1+ ) ( resid  95 and name   ha )   5.0   3.2   0.0
assign ( resid  44 and name   hb ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  96 and name   hn )   3.8   2.0   0.0
assign ( resid  44 and name hg1+ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  97 and name   ha )   5.0   3.2   0.0
assign ( resid  44 and name   hb ) ( resid  98 and name  hd2 )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  98 and name  hd2 )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hg1+ ) ( resid  98 and name  hd2 )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  98 and name  hd2 )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hg2+ ) ( resid 100 and name  he+ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name  hb+ )   3.8   2.0   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name  hd+ )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name  hg+ )   2.8   1.0   0.0
assign ( resid  45 and name  hd+ ) ( resid  45 and name  hg+ )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name hg1+ )   3.8   2.0   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name hg2+ )   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  hg+ ) ( resid  46 and name hg2+ )   3.8   2.0   0.0
assign ( resid  45 and name  hg+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hg+ ) ( resid  46 and name hg1+ )   5.0   3.2   0.0
assign ( resid  45 and name  hd+ ) ( resid 100 and name  he+ )   5.0   3.2   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name   hb )   2.8   1.0   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name hg2+ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name hg1+ )   2.8   1.0   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name   hn )   3.8   2.0   0.0
assign ( resid  46 and name   hb ) ( resid  46 and name hg1+ )   2.8   1.0   0.0
assign ( resid  46 and name   hb ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hb ) ( resid  46 and name hg2+ )   2.8   1.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  46 and name   hn )   2.8   1.0   0.0
assign ( resid  46 and name hg1+ ) ( resid  46 and name   hn )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  47 and name   hn )   2.8   1.0   0.0
assign ( resid  46 and name   hb ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg1+ ) ( resid  47 and name   hb )   5.0   3.2   0.0
assign ( resid  46 and name hg1+ ) ( resid  47 and name hg2+ )   5.0   3.2   0.0
assign ( resid  46 and name hg1+ ) ( resid  47 and name   hn )   3.8   2.0   0.0
assign ( resid  46 and name   hn ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hb ) ( resid  50 and name   hh )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid  50 and name   hh )   3.8   2.0   0.0
assign ( resid  46 and name hg1+ ) ( resid  50 and name   hh )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  50 and name  he+ )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  50 and name   hh )   2.8   1.0   0.0
assign ( resid  46 and name   ha ) ( resid  95 and name  hb+ )   2.8   1.0   0.0
assign ( resid  46 and name   hb ) ( resid  95 and name  hb+ )   5.0   3.2   0.0
assign ( resid  46 and name hg1+ ) ( resid  95 and name  hb+ )   3.8   2.0   0.0
assign ( resid  46 and name   hn ) ( resid  95 and name  hb+ )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid 121 and name hd++ )   2.8   1.0   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name   hb )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name hg2+ )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hb ) ( resid  47 and name hg2+ )   3.8   2.0   0.0
assign ( resid  47 and name   hb ) ( resid  47 and name   hn )   3.8   2.0   0.0
assign ( resid  47 and name hg2+ ) ( resid  47 and name   hn )   3.8   2.0   0.0
assign ( resid  47 and name   ha ) ( resid  48 and name   hn )   2.8   1.0   0.0
assign ( resid  47 and name hg2+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  94 and name   ha )   3.8   2.0   0.0
assign ( resid  47 and name   ha ) ( resid  94 and name  hb+ )   5.0   3.2   0.0
assign ( resid  47 and name hg2+ ) ( resid  94 and name   ha )   3.8   2.0   0.0
assign ( resid  47 and name hg2+ ) ( resid  94 and name  hb+ )   5.0   3.2   0.0
assign ( resid  47 and name hg2+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  95 and name   hn )   3.8   2.0   0.0
assign ( resid  47 and name   ha ) ( resid  95 and name  hb+ )   5.0   3.2   0.0
assign ( resid  47 and name hg2+ ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  95 and name  hb+ )   3.8   2.0   0.0
assign ( resid  48 and name  ha+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  ha+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  50 and name  he+ )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  50 and name   hh )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  92 and name hg2+ )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  94 and name   ha )   5.0   3.2   0.0
assign ( resid  48 and name  ha+ ) ( resid 121 and name hd++ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hg+ )   3.8   2.0   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name  hg+ )   2.8   1.0   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name   hn )   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   hn )   3.8   2.0   0.0
assign ( resid  49 and name  hg+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  51 and name  hb+ )   3.8   2.0   0.0
assign ( resid  49 and name  hg+ ) ( resid  90 and name   hb )   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   ha )   3.8   2.0   0.0
assign ( resid  49 and name   ha ) ( resid  92 and name hg2+ )   3.8   2.0   0.0
assign ( resid  49 and name  hb+ ) ( resid  92 and name hg2+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  92 and name   ha )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  92 and name hg2+ )   2.8   1.0   0.0
assign ( resid  49 and name   ha ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid 121 and name hd++ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid 122 and name   hg )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid 122 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid 122 and name   hg )   3.8   2.0   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  hb+ ) ( resid  50 and name  hd+ )   5.0   3.2   0.0
assign ( resid  50 and name  hb+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  hb+ ) ( resid  50 and name  he+ )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  50 and name   hh )   3.8   2.0   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 )   2.8   1.0   0.0
assign ( resid  50 and name  hb+ ) ( resid  51 and name  hg+ )   5.0   3.2   0.0
assign ( resid  50 and name  hb+ ) ( resid  52 and name hd1+ )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  52 and name hd1+ )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  92 and name   ha )   5.0   3.2   0.0
assign ( resid  50 and name  hb+ ) ( resid  93 and name hd1+ )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  93 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid 121 and name   ha )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid 121 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid 121 and name hd++ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name  hg+ )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name  hd+ )   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  51 and name  hg+ )   5.0   3.2   0.0
assign ( resid  51 and name  hd+ ) ( resid  51 and name  hg+ )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  52 and name   hn )   3.8   2.0   0.0
assign ( resid  51 and name  hb+ ) ( resid  53 and name hd2+ )   5.0   3.2   0.0
assign ( resid  51 and name  hg+ ) ( resid  53 and name hd2+ )   5.0   3.2   0.0
assign ( resid  51 and name  hd+ ) ( resid  88 and name hg1+ )   3.8   2.0   0.0
assign ( resid  51 and name  hd+ ) ( resid  88 and name hg2+ )   5.0   3.2   0.0
assign ( resid  51 and name  hg+ ) ( resid  88 and name hg1+ )   3.8   2.0   0.0
assign ( resid  51 and name   ha ) ( resid  90 and name   ha )   3.8   2.0   0.0
assign ( resid  51 and name   ha ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   hn ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid 122 and name   hg )   3.8   2.0   0.0
assign ( resid  51 and name  hb+ ) ( resid 122 and name hd++ )   5.0   3.2   0.0
assign ( resid  51 and name  hg+ ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name   hb )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name hg1+ )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name hg2+ )   3.8   2.0   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name hd1+ )   5.0   3.2   0.0
assign ( resid  52 and name   hb ) ( resid  52 and name hd1+ )   3.8   2.0   0.0
assign ( resid  52 and name   hb ) ( resid  52 and name hg1+ )   5.0   3.2   0.0
assign ( resid  52 and name   hb ) ( resid  52 and name hg2+ )   2.8   1.0   0.0
assign ( resid  52 and name   hb ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid  52 and name hg1+ )   2.8   1.0   0.0
assign ( resid  52 and name hd1+ ) ( resid  52 and name hg2+ )   2.8   1.0   0.0
assign ( resid  52 and name hd1+ ) ( resid  52 and name   hn )   3.8   2.0   0.0
assign ( resid  52 and name hg1+ ) ( resid  52 and name hg2+ )   3.8   2.0   0.0
assign ( resid  52 and name hg1+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name hg2+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  53 and name   hn )   2.8   1.0   0.0
assign ( resid  52 and name hg2+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name hg2+ ) ( resid  54 and name hd1+ )   5.0   3.2   0.0
assign ( resid  52 and name hg2+ ) ( resid  67 and name hd1+ )   2.8   1.0   0.0
assign ( resid  52 and name hd1+ ) ( resid  69 and name  hb+ )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid  69 and name  he+ )   5.0   3.2   0.0
assign ( resid  52 and name hg2+ ) ( resid  69 and name  he+ )   3.8   2.0   0.0
assign ( resid  52 and name   hn ) ( resid  88 and name hg1+ )   5.0   3.2   0.0
assign ( resid  52 and name   hb ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   hb ) ( resid  89 and name  hb+ )   2.8   1.0   0.0
assign ( resid  52 and name hd1+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid  90 and name   ha )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  90 and name   ha )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid  91 and name  hb+ )   3.8   2.0   0.0
assign ( resid  52 and name hd1+ ) ( resid  91 and name  hg+ )   3.8   2.0   0.0
assign ( resid  52 and name hd1+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid  91 and name  hd+ )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid  93 and name hd2+ )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid  93 and name hd1+ )   3.8   2.0   0.0
assign ( resid  52 and name hg1+ ) ( resid  93 and name hd1+ )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid 100 and name  he+ )   3.8   2.0   0.0
assign ( resid  52 and name hd1+ ) ( resid 100 and name   hz )   5.0   3.2   0.0
assign ( resid  52 and name hg2+ ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid  52 and name hg2+ ) ( resid 100 and name  he+ )   3.8   2.0   0.0
assign ( resid  52 and name hd1+ ) ( resid 117 and name hd++ )   2.8   1.0   0.0
assign ( resid  52 and name hg2+ ) ( resid 117 and name hd++ )   2.8   1.0   0.0
assign ( resid  52 and name hg2+ ) ( resid 117 and name   hg )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid 119 and name   ha )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid 119 and name hd2+ )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid 119 and name hd1+ )   3.8   2.0   0.0
assign ( resid  52 and name hd1+ ) ( resid 119 and name hd2+ )   3.8   2.0   0.0
assign ( resid  52 and name hg1+ ) ( resid 119 and name hd2+ )   5.0   3.2   0.0
assign ( resid  52 and name hd1+ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  53 and name hd2+ )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name hd2+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  54 and name   hn )   3.8   2.0   0.0
assign ( resid  53 and name   ha ) ( resid  86 and name hg2+ )   3.8   2.0   0.0
assign ( resid  53 and name  hb+ ) ( resid  86 and name hg2+ )   3.8   2.0   0.0
assign ( resid  53 and name   ha ) ( resid  88 and name   ha )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  88 and name hg1+ )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  88 and name hg2+ )   5.0   3.2   0.0
assign ( resid  53 and name hd2+ ) ( resid  88 and name hg2+ )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name hd2+ ) ( resid 118 and name  hg+ )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid 118 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 hd2+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name hd1+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name   hg )   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 hd2+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name hd1+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name   hg )   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 hd2+ ) ( resid  54 and name   hg )   3.8   2.0   0.0
assign ( resid  54 and name hd2+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name hd1+ ) ( resid  54 and name   hg )   3.8   2.0   0.0
assign ( resid  54 and name   ha ) ( resid  55 and name   hn )   2.8   1.0   0.0
assign ( resid  54 and name hd2+ ) ( resid  55 and name   ha )   5.0   3.2   0.0
assign ( resid  54 and name hd2+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name hd1+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name hd2+ ) ( resid  56 and name  hd1 )   5.0   3.2   0.0
assign ( resid  54 and name hd2+ ) ( resid  67 and name hd2+ )   3.8   2.0   0.0
assign ( resid  54 and name hd2+ ) ( resid  67 and name hd1+ )   3.8   2.0   0.0
assign ( resid  54 and name hd1+ ) ( resid  67 and name hd2+ )   3.8   2.0   0.0
assign ( resid  54 and name hd1+ ) ( resid  67 and name hd1+ )   3.8   2.0   0.0
assign ( resid  54 and name hd1+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  69 and name  he+ )   3.8   2.0   0.0
assign ( resid  54 and name  hb+ ) ( resid  69 and name  he+ )   5.0   3.2   0.0
assign ( resid  54 and name hd2+ ) ( resid  69 and name  he+ )   3.8   2.0   0.0
assign ( resid  54 and name hd1+ ) ( resid  69 and name  he+ )   2.8   1.0   0.0
assign ( resid  54 and name   hg ) ( resid  74 and name hd2+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  86 and name hg2+ )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  86 and name hg2+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  87 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  87 and name  hd+ )   5.0   3.2   0.0
assign ( resid  54 and name hd2+ ) ( resid  87 and name  hd+ )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name hd1+ ) ( resid 101 and name  ha+ )   5.0   3.2   0.0
assign ( resid  54 and name hd1+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name hd2+ ) ( resid 102 and name hg2+ )   2.8   1.0   0.0
assign ( resid  54 and name hd1+ ) ( resid 102 and name hg2+ )   2.8   1.0   0.0
assign ( resid  54 and name   ha ) ( resid 117 and name   ha )   3.8   2.0   0.0
assign ( resid  54 and name   ha ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid  54 and name hd2+ ) ( resid 117 and name hd++ )   3.8   2.0   0.0
assign ( resid  54 and name hd2+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name hd1+ ) ( resid 117 and name   ha )   5.0   3.2   0.0
assign ( resid  54 and name hd1+ ) ( resid 117 and name hd++ )   3.8   2.0   0.0
assign ( resid  54 and name   hg ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name hg2+ )   3.8   2.0   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid  55 and name hg2+ )   3.8   2.0   0.0
assign ( resid  55 and name   hb ) ( resid  55 and name   hn )   3.8   2.0   0.0
assign ( resid  55 and name   ha ) ( resid  56 and name   hn )   2.8   1.0   0.0
assign ( resid  55 and name hg2+ ) ( resid  56 and name   hn )   3.8   2.0   0.0
assign ( resid  55 and name   hn ) ( resid  69 and name  he+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  84 and name  hb+ )   3.8   2.0   0.0
assign ( resid  55 and name hg2+ ) ( resid  84 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  86 and name   ha )   3.8   2.0   0.0
assign ( resid  55 and name hg2+ ) ( resid  86 and name   ha )   3.8   2.0   0.0
assign ( resid  55 and name hg2+ ) ( resid  86 and name   hb )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid  86 and name hg2+ )   2.8   1.0   0.0
assign ( resid  55 and name   hn ) ( resid  86 and name hg2+ )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name hg2+ ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name   hb ) ( resid 116 and name   hn )   3.8   2.0   0.0
assign ( resid  55 and name hg2+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name   hn )   3.8   2.0   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name  hd1 )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name  he3 )   5.0   3.2   0.0
assign ( resid  56 and name  hd1 ) ( resid  56 and name  he1 )   5.0   3.2   0.0
assign ( resid  56 and name  hd1 ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  he1 ) ( resid  56 and name  hz2 )   5.0   3.2   0.0
assign ( resid  56 and name  he3 ) ( resid  56 and name  hz3 )   5.0   3.2   0.0
assign ( resid  56 and name  hh2 ) ( resid  56 and name  hz2 )   3.8   2.0   0.0
assign ( resid  56 and name  hh2 ) ( resid  56 and name  hz3 )   5.0   3.2   0.0
assign ( resid  56 and name  hz2 ) ( resid  56 and name  hz3 )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  57 and name   hn )   3.8   2.0   0.0
assign ( resid  56 and name  hb+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  he3 ) ( resid  57 and name   ha )   5.0   3.2   0.0
assign ( resid  56 and name  he3 ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  he3 ) ( resid  58 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  hz3 ) ( resid  58 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  he1 ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  hh2 ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  hh2 ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hz2 ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  hz2 ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hh2 ) ( resid  81 and name  hb+ )   3.8   2.0   0.0
assign ( resid  56 and name  hz3 ) ( resid  81 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  hd1 ) ( resid  85 and name hg1+ )   5.0   3.2   0.0
assign ( resid  56 and name  he1 ) ( resid  85 and name hg1+ )   5.0   3.2   0.0
assign ( resid  56 and name   hn ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hz2 ) ( resid  85 and name hg2+ )   5.0   3.2   0.0
assign ( resid  56 and name  hz2 ) ( resid  85 and name hg1+ )   3.8   2.0   0.0
assign ( resid  56 and name   hn ) ( resid  86 and name   ha )   5.0   3.2   0.0
assign ( resid  56 and name  hd1 ) ( resid  87 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  he1 ) ( resid  87 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  he1 ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid 112 and name  he+ )   5.0   3.2   0.0
assign ( resid  56 and name  he3 ) ( resid 112 and name  he+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid 114 and name   ha )   3.8   2.0   0.0
assign ( resid  56 and name   ha ) ( resid 114 and name hg1+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name   hn )   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   ha ) ( resid  58 and name   hn )   3.8   2.0   0.0
assign ( resid  57 and name  hb+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  81 and name  hb+ )   3.8   2.0   0.0
assign ( resid  57 and name   ha ) ( resid  82 and name   hb )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  84 and name   ha )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name  hb+ )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name  hb+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  59 and name  hd+ )   5.0   3.2   0.0
assign ( resid  58 and name  hb+ ) ( resid  81 and name  hb+ )   3.8   2.0   0.0
assign ( resid  58 and name  hb+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  81 and name  hb+ )   3.8   2.0   0.0
assign ( resid  58 and name   hn ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name  hb+ )   3.8   2.0   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name  hg+ )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  59 and name  hg+ )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  59 and name  hd+ )   5.0   3.2   0.0
assign ( resid  59 and name  hd+ ) ( resid  59 and name  hg+ )   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   ha ) ( resid  80 and name   ha )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  82 and name   ha )   3.8   2.0   0.0
assign ( resid  59 and name   ha ) ( resid  82 and name hg2+ )   3.8   2.0   0.0
assign ( resid  59 and name   ha ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  82 and name   ha )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  82 and name hg2+ )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  82 and name   hb )   5.0   3.2   0.0
assign ( resid  59 and name  hd+ ) ( resid 112 and name   ha )   5.0   3.2   0.0
assign ( resid  59 and name  hd+ ) ( resid 113 and name hd2+ )   5.0   3.2   0.0
assign ( resid  59 and name  hg+ ) ( resid 113 and name hd2+ )   5.0   3.2   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+ )   3.8   2.0   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  hd+ )   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  hd+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   hn ) ( resid  61 and name   hn )   3.8   2.0   0.0
assign ( resid  60 and name  hd+ ) ( resid 111 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  62 and name   hn )   3.8   2.0   0.0
assign ( resid  61 and name  hb+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  80 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name   hn ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hb+ )   3.8   2.0   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 )   3.8   2.0   0.0
assign ( resid  62 and name  hb+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  79 and name   ha )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  79 and name   ha )   3.8   2.0   0.0
assign ( resid  62 and name  hb+ ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  80 and name   ha )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  80 and name   ha )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   hn ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name  hg+ )   5.0   3.2   0.0
assign ( resid  63 and name  hd+ ) ( resid  63 and name  he+ )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name hg2+ )   3.8   2.0   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name hg1+ )   3.8   2.0   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   hb ) ( resid  64 and name hg2+ )   5.0   3.2   0.0
assign ( resid  64 and name   hb ) ( resid  64 and name hg1+ )   3.8   2.0   0.0
assign ( resid  64 and name   hb ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name hg2+ ) ( resid  64 and name   hn )   3.8   2.0   0.0
assign ( resid  64 and name hg1+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  65 and name   hn )   3.8   2.0   0.0
assign ( resid  64 and name hg2+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name hg1+ ) ( resid  65 and name   hn )   3.8   2.0   0.0
assign ( resid  64 and name hg1+ ) ( resid  65 and name   ha )   5.0   3.2   0.0
assign ( resid  64 and name hg1+ ) ( resid  75 and name  hb+ )   5.0   3.2   0.0
assign ( resid  64 and name hg1+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  77 and name   ha )   3.8   2.0   0.0
assign ( resid  64 and name hg2+ ) ( resid  77 and name   ha )   3.8   2.0   0.0
assign ( resid  64 and name hg2+ ) ( resid  77 and name  hb+ )   2.8   1.0   0.0
assign ( resid  64 and name hg1+ ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name hg2+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   hb ) ( resid 109 and name  hd1 )   5.0   3.2   0.0
assign ( resid  64 and name hg2+ ) ( resid 109 and name  hz2 )   5.0   3.2   0.0
assign ( resid  64 and name hg1+ ) ( resid 109 and name  hd1 )   5.0   3.2   0.0
assign ( resid  64 and name hg1+ ) ( resid 109 and name  he1 )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid 109 and name  hb+ )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid 109 and name  he3 )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name hd2+ )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  65 and name hd2+ )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  77 and name   ha )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid 102 and name hg1+ )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid 104 and name   ha )   3.8   2.0   0.0
assign ( resid  65 and name   ha ) ( resid 108 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name hd2+ ) ( resid 109 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name hd2+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name hd2+ ) ( resid 112 and name  hg+ )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name hg2+ )   2.8   1.0   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name   hb )   5.0   3.2   0.0
assign ( resid  66 and name   hb ) ( resid  66 and name hg2+ )   2.8   1.0   0.0
assign ( resid  66 and name   hb ) ( resid  66 and name   hn )   3.8   2.0   0.0
assign ( resid  66 and name hg2+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  67 and name   hn )   2.8   1.0   0.0
assign ( resid  66 and name hg2+ ) ( resid  67 and name   hn )   3.8   2.0   0.0
assign ( resid  66 and name hg2+ ) ( resid  68 and name hg2+ )   3.8   2.0   0.0
assign ( resid  66 and name   hb ) ( resid  73 and name  hb+ )   5.0   3.2   0.0
assign ( resid  66 and name hg2+ ) ( resid  73 and name  hb+ )   2.8   1.0   0.0
assign ( resid  66 and name hg2+ ) ( resid  73 and name   ha )   3.8   2.0   0.0
assign ( resid  66 and name hg2+ ) ( resid  74 and name   hg )   5.0   3.2   0.0
assign ( resid  66 and name hg2+ ) ( resid  74 and name   hn )   3.8   2.0   0.0
assign ( resid  66 and name   ha ) ( resid  75 and name   ha )   3.8   2.0   0.0
assign ( resid  66 and name   ha ) ( resid  75 and name  hb+ )   5.0   3.2   0.0
assign ( resid  66 and name   hb ) ( resid  75 and name  hb+ )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid 102 and name hg1+ )   5.0   3.2   0.0
assign ( resid  66 and name   hb ) ( resid 103 and name  hg+ )   3.8   2.0   0.0
assign ( resid  66 and name   hb ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name hg2+ ) ( resid 103 and name  hg+ )   3.8   2.0   0.0
assign ( resid  66 and name   hn ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid 104 and name   ha )   3.8   2.0   0.0
assign ( resid  66 and name   hn ) ( resid 108 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name hd1+ )   3.8   2.0   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name   hg )   3.8   2.0   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name hd2+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name   hg )   3.8   2.0   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name   hn )   3.8   2.0   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name hd2+ )   2.8   1.0   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name hd1+ )   3.8   2.0   0.0
assign ( resid  67 and name hd2+ ) ( resid  67 and name   hg )   3.8   2.0   0.0
assign ( resid  67 and name hd1+ ) ( resid  67 and name   hg )   3.8   2.0   0.0
assign ( resid  67 and name   ha ) ( resid  68 and name   hn )   2.8   1.0   0.0
assign ( resid  67 and name hd1+ ) ( resid  68 and name   hn )   3.8   2.0   0.0
assign ( resid  67 and name   hg ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  69 and name  he+ )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid  69 and name  he+ )   3.8   2.0   0.0
assign ( resid  67 and name hd1+ ) ( resid  69 and name  he+ )   3.8   2.0   0.0
assign ( resid  67 and name hd1+ ) ( resid  69 and name  hg+ )   5.0   3.2   0.0
assign ( resid  67 and name   hg ) ( resid  69 and name  hg+ )   3.8   2.0   0.0
assign ( resid  67 and name hd2+ ) ( resid  74 and name hd1+ )   3.8   2.0   0.0
assign ( resid  67 and name hd1+ ) ( resid  74 and name hd1+ )   3.8   2.0   0.0
assign ( resid  67 and name   hg ) ( resid  74 and name hd1+ )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  75 and name   ha )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid  76 and name  hd+ )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid  76 and name  he+ )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid  78 and name   hz )   5.0   3.2   0.0
assign ( resid  67 and name hd1+ ) ( resid  78 and name   hz )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid  87 and name  hd+ )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid  87 and name  he+ )   5.0   3.2   0.0
assign ( resid  67 and name hd1+ ) ( resid  87 and name  he+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid 102 and name   ha )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid 102 and name hg1+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid 102 and name hg2+ )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid 102 and name hg1+ )   5.0   3.2   0.0
assign ( resid  67 and name hd1+ ) ( resid 102 and name hg1+ )   5.0   3.2   0.0
assign ( resid  67 and name hd1+ ) ( resid 102 and name hg2+ )   2.8   1.0   0.0
assign ( resid  67 and name   ha ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name hd2+ ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name   hb )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name hg1+ )   3.8   2.0   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name hg2+ )   3.8   2.0   0.0
assign ( resid  68 and name   hb ) ( resid  68 and name hg1+ )   2.8   1.0   0.0
assign ( resid  68 and name   hb ) ( resid  68 and name hg2+ )   3.8   2.0   0.0
assign ( resid  68 and name   hb ) ( resid  68 and name   hn )   3.8   2.0   0.0
assign ( resid  68 and name hg1+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name hg2+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name   hn )   2.8   1.0   0.0
assign ( resid  68 and name hg1+ ) ( resid  69 and name   hn )   3.8   2.0   0.0
assign ( resid  68 and name hg2+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid  71 and name  ha+ )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid  71 and name   hn )   3.8   2.0   0.0
assign ( resid  68 and name   ha ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  73 and name   ha )   3.8   2.0   0.0
assign ( resid  68 and name   ha ) ( resid  73 and name  hb+ )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid  73 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid  73 and name  hb+ )   5.0   3.2   0.0
assign ( resid  68 and name hg2+ ) ( resid  73 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name hg2+ ) ( resid  73 and name  hb+ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid  99 and name  hb+ )   5.0   3.2   0.0
assign ( resid  68 and name hg1+ ) ( resid 100 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name   hb ) ( resid 101 and name   hn )   3.8   2.0   0.0
assign ( resid  68 and name hg1+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name hg2+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name hg2+ ) ( resid 102 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid 102 and name   ha )   3.8   2.0   0.0
assign ( resid  68 and name hg2+ ) ( resid 103 and name  hd+ )   5.0   3.2   0.0
assign ( resid  68 and name hg2+ ) ( resid 103 and name  hg+ )   3.8   2.0   0.0
assign ( resid  68 and name hg2+ ) ( resid 103 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  he+ )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  hg+ )   5.0   3.2   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  hg+ )   5.0   3.2   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name  he+ )   5.0   3.2   0.0
assign ( resid  69 and name  he+ ) ( resid  69 and name  hg+ )   5.0   3.2   0.0
assign ( resid  69 and name  hg+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  70 and name   hn )   3.8   2.0   0.0
assign ( resid  69 and name  hb+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  73 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name  he+ ) ( resid  87 and name  hd+ )   3.8   2.0   0.0
assign ( resid  69 and name  he+ ) ( resid  87 and name  he+ )   3.8   2.0   0.0
assign ( resid  69 and name   ha ) ( resid 100 and name   ha )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid 100 and name  he+ )   5.0   3.2   0.0
assign ( resid  69 and name  hb+ ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid  69 and name  he+ ) ( resid 100 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name  he+ ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid  69 and name  he+ ) ( resid 100 and name  he+ )   5.0   3.2   0.0
assign ( resid  69 and name  he+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name  he+ ) ( resid 117 and name hd++ )   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   hn )   3.8   2.0   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  71 and name   hn )   3.8   2.0   0.0
assign ( resid  70 and name  hb+ ) ( 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  hb+ ) ( resid  91 and name  he+ )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  93 and name hd2+ )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid 100 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid 100 and name  hd+ )   3.8   2.0   0.0
assign ( resid  71 and name  ha+ ) ( resid  71 and name   hn )   3.8   2.0   0.0
assign ( resid  71 and name  ha+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   hn ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name   hb )   3.8   2.0   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name hg2+ )   2.8   1.0   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name   hn )   3.8   2.0   0.0
assign ( resid  72 and name   hb ) ( resid  72 and name hg2+ )   2.8   1.0   0.0
assign ( resid  72 and name   hb ) ( resid  72 and name   hn )   3.8   2.0   0.0
assign ( resid  72 and name hg2+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name   hn )   2.8   1.0   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name  hb+ )   3.8   2.0   0.0
assign ( resid  72 and name   hb ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name hg2+ ) ( resid  73 and name   hn )   2.8   1.0   0.0
assign ( resid  72 and name   hn ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   hb ) ( resid  74 and name   hn )   3.8   2.0   0.0
assign ( resid  72 and name hg2+ ) ( resid  74 and name  hb+ )   2.8   1.0   0.0
assign ( resid  73 and name   ha ) ( resid  73 and name  hb+ )   2.8   1.0   0.0
assign ( resid  73 and name   ha ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  hb+ ) ( resid  73 and name   hn )   2.8   1.0   0.0
assign ( resid  73 and name   ha ) ( resid  74 and name   hn )   2.8   1.0   0.0
assign ( resid  73 and name  hb+ ) ( resid  74 and name   hn )   3.8   2.0   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name  hb+ )   2.8   1.0   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name hd1+ )   3.8   2.0   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name   hg )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name   hn )   2.8   1.0   0.0
assign ( resid  74 and name  hb+ ) ( resid  74 and name hd1+ )   2.8   1.0   0.0
assign ( resid  74 and name  hb+ ) ( resid  74 and name   hg )   2.8   1.0   0.0
assign ( resid  74 and name  hb+ ) ( resid  74 and name   hn )   2.8   1.0   0.0
assign ( resid  74 and name hd1+ ) ( resid  74 and name   hg )   5.0   3.2   0.0
assign ( resid  74 and name hd1+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hd2+ ) ( resid  74 and name   hg )   5.0   3.2   0.0
assign ( resid  74 and name   hg ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  75 and name   hn )   2.8   1.0   0.0
assign ( resid  74 and name   ha ) ( resid  75 and name  hb+ )   5.0   3.2   0.0
assign ( resid  74 and name  hb+ ) ( resid  75 and name  hb+ )   5.0   3.2   0.0
assign ( resid  74 and name  hb+ ) ( resid  75 and name   hn )   3.8   2.0   0.0
assign ( resid  74 and name hd1+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name  hb+ ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  74 and name  hb+ ) ( resid  76 and name  hd+ )   5.0   3.2   0.0
assign ( resid  74 and name hd1+ ) ( resid  76 and name  hd+ )   5.0   3.2   0.0
assign ( resid  74 and name hd1+ ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  74 and name hd1+ ) ( resid  89 and name he2+ )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name  hb+ )   2.8   1.0   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name  hb+ ) ( resid  75 and name   hn )   2.8   1.0   0.0
assign ( resid  75 and name   ha ) ( resid  76 and name   hn )   2.8   1.0   0.0
assign ( resid  75 and name  hb+ ) ( resid  76 and name   hn )   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  hd+ )   3.8   2.0   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  hd+ )   3.8   2.0   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   hn )   2.8   1.0   0.0
assign ( resid  76 and name  hb+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  hd+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  he+ ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  76 and name  he+ ) ( resid  78 and name   hz )   5.0   3.2   0.0
assign ( resid  76 and name  he+ ) ( resid  87 and name  hd+ )   5.0   3.2   0.0
assign ( resid  76 and name  he+ ) ( resid  87 and name  he+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hb+ )   2.8   1.0   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   hn )   2.8   1.0   0.0
assign ( resid  77 and name   ha ) ( resid  78 and name   hn )   3.8   2.0   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name  hb+ )   5.0   3.2   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 )   2.8   1.0   0.0
assign ( resid  78 and name   ha ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  78 and name   hz ) ( resid 102 and name hg1+ )   5.0   3.2   0.0
assign ( resid  78 and name  he+ ) ( resid 112 and name  he+ )   3.8   2.0   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name  hb+ )   2.8   1.0   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name   hn )   3.8   2.0   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name   hn )   2.8   1.0   0.0
assign ( resid  79 and name   ha ) ( resid  80 and name   hn )   2.8   1.0   0.0
assign ( resid  79 and name  hb+ ) ( resid  80 and name   hn )   2.8   1.0   0.0
assign ( resid  79 and name   hn ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  81 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name  hg+ )   2.8   1.0   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name   hn )   3.8   2.0   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  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name   hn )   2.8   1.0   0.0
assign ( resid  80 and name  hg+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name  hb+ )   2.8   1.0   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 )   3.8   2.0   0.0
assign ( resid  81 and name   ha ) ( resid  82 and name   hn )   2.8   1.0   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 hg2+ )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  85 and name hg2+ )   2.8   1.0   0.0
assign ( resid  81 and name  hb+ ) ( resid  85 and name hg1+ )   3.8   2.0   0.0
assign ( resid  81 and name  hb+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   ha ) ( resid  82 and name   hb )   3.8   2.0   0.0
assign ( resid  82 and name   ha ) ( resid  82 and name hg2+ )   3.8   2.0   0.0
assign ( resid  82 and name   ha ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   hb ) ( resid  82 and name hg2+ )   2.8   1.0   0.0
assign ( resid  82 and name   hb ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name hg2+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   hb ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name hg2+ ) ( resid  83 and name hg2+ )   5.0   3.2   0.0
assign ( resid  82 and name   hn ) ( resid  83 and name   hn )   3.8   2.0   0.0
assign ( resid  82 and name hg2+ ) ( resid  85 and name hg2+ )   3.8   2.0   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name   hb )   3.8   2.0   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name hg2+ )   2.8   1.0   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name hg1+ )   2.8   1.0   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   hb ) ( resid  83 and name hg2+ )   2.8   1.0   0.0
assign ( resid  83 and name   hb ) ( resid  83 and name hg1+ )   2.8   1.0   0.0
assign ( resid  83 and name   hb ) ( resid  83 and name   hn )   2.8   1.0   0.0
assign ( resid  83 and name hg2+ ) ( resid  83 and name   hn )   2.8   1.0   0.0
assign ( resid  83 and name hg1+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  84 and name  hd+ )   2.8   1.0   0.0
assign ( resid  83 and name   hb ) ( resid  84 and name  hd+ )   5.0   3.2   0.0
assign ( resid  83 and name hg2+ ) ( resid  84 and name  hd+ )   5.0   3.2   0.0
assign ( resid  83 and name hg1+ ) ( resid  84 and name  hd+ )   3.8   2.0   0.0
assign ( resid  83 and name hg1+ ) ( resid  85 and name hg2+ )   3.8   2.0   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  hg+ )   5.0   3.2   0.0
assign ( resid  84 and name  hb+ ) ( resid  84 and name  hg+ )   3.8   2.0   0.0
assign ( resid  84 and name  hb+ ) ( resid  84 and name  hd+ )   5.0   3.2   0.0
assign ( resid  84 and name  hd+ ) ( resid  84 and name  hg+ )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  85 and name hg2+ )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  85 and name   hn )   3.8   2.0   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 )   5.0   3.2   0.0
assign ( resid  85 and name   ha ) ( resid  85 and name hg2+ )   3.8   2.0   0.0
assign ( resid  85 and name   ha ) ( resid  85 and name hg1+ )   2.8   1.0   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 hg2+ )   2.8   1.0   0.0
assign ( resid  85 and name   hb ) ( resid  85 and name hg1+ )   2.8   1.0   0.0
assign ( resid  85 and name   hb ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name hg2+ ) ( resid  85 and name   hn )   3.8   2.0   0.0
assign ( resid  85 and name   ha ) ( resid  86 and name   hn )   2.8   1.0   0.0
assign ( resid  85 and name   hb ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name hg2+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name hg1+ ) ( resid  86 and name   hn )   3.8   2.0   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   hb )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name hg2+ )   3.8   2.0   0.0
assign ( resid  86 and name   hb ) ( resid  86 and name hg2+ )   2.8   1.0   0.0
assign ( resid  86 and name   hb ) ( resid  86 and name   hn )   3.8   2.0   0.0
assign ( resid  86 and name hg2+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  87 and name   hn )   3.8   2.0   0.0
assign ( resid  86 and name hg2+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name  hd+ )   5.0   3.2   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  hd+ )   5.0   3.2   0.0
assign ( resid  87 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  88 and name   hn )   2.8   1.0   0.0
assign ( resid  87 and name  he+ ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  87 and name  he+ ) ( resid  89 and name  hg+ )   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 hg1+ )   2.8   1.0   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name hg2+ )   3.8   2.0   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 hg1+ )   2.8   1.0   0.0
assign ( resid  88 and name   hb ) ( resid  88 and name hg2+ )   2.8   1.0   0.0
assign ( resid  88 and name   hb ) ( resid  88 and name   hn )   3.8   2.0   0.0
assign ( resid  88 and name hg1+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name hg2+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  89 and name   hn )   2.8   1.0   0.0
assign ( resid  88 and name   hb ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name hg1+ ) ( resid  89 and name   ha )   5.0   3.2   0.0
assign ( resid  88 and name hg1+ ) ( resid  89 and name   hn )   3.8   2.0   0.0
assign ( resid  88 and name hg1+ ) ( resid  90 and name hg2+ )   2.8   1.0   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name  hg+ )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name   hn )   3.8   2.0   0.0
assign ( resid  89 and name  hb+ ) ( resid  89 and name he2+ )   5.0   3.2   0.0
assign ( resid  89 and name  hb+ ) ( resid  89 and name  hg+ )   3.8   2.0   0.0
assign ( resid  89 and name  hb+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name he2+ ) ( resid  89 and name  hg+ )   5.0   3.2   0.0
assign ( resid  89 and name  hg+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  90 and name   hn )   2.8   1.0   0.0
assign ( resid  89 and name  hg+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name he2+ ) ( resid  91 and name  hd+ )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name   hb )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name hg2+ )   2.8   1.0   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 hg2+ )   2.8   1.0   0.0
assign ( resid  90 and name   hb ) ( resid  90 and name   hn )   3.8   2.0   0.0
assign ( resid  90 and name hg2+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  91 and name   hn )   2.8   1.0   0.0
assign ( resid  90 and name   hb ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name hg2+ ) ( resid  91 and name   hn )   3.8   2.0   0.0
assign ( resid  90 and name hg2+ ) ( resid 122 and name   hg )   2.8   1.0   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name  hb+ )   3.8   2.0   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name  hg+ )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name  hb+ ) ( resid  91 and name  hd+ )   3.8   2.0   0.0
assign ( resid  91 and name  hb+ ) ( resid  91 and name  he+ )   5.0   3.2   0.0
assign ( resid  91 and name  hb+ ) ( resid  91 and name  hg+ )   3.8   2.0   0.0
assign ( resid  91 and name  hb+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name  hd+ ) ( resid  91 and name  he+ )   5.0   3.2   0.0
assign ( resid  91 and name  hd+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name  hd+ ) ( resid  91 and name  hg+ )   3.8   2.0   0.0
assign ( resid  91 and name  he+ ) ( resid  91 and name  hg+ )   5.0   3.2   0.0
assign ( resid  91 and name  hg+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  92 and name   hn )   2.8   1.0   0.0
assign ( resid  91 and name  hb+ ) ( resid  92 and name   hn )   3.8   2.0   0.0
assign ( resid  91 and name  hg+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name  hb+ ) ( resid  93 and name hd2+ )   5.0   3.2   0.0
assign ( resid  91 and name  hd+ ) ( resid  93 and name hd2+ )   5.0   3.2   0.0
assign ( resid  91 and name  he+ ) ( resid  93 and name hd2+ )   5.0   3.2   0.0
assign ( resid  91 and name  hg+ ) ( resid  93 and name hd2+ )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name hg2+ )   3.8   2.0   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name   hn )   3.8   2.0   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name   hb )   5.0   3.2   0.0
assign ( resid  92 and name   hb ) ( resid  92 and name hg2+ )   2.8   1.0   0.0
assign ( resid  92 and name   hb ) ( resid  92 and name   hn )   2.8   1.0   0.0
assign ( resid  92 and name hg2+ ) ( resid  92 and name   hn )   3.8   2.0   0.0
assign ( resid  92 and name   ha ) ( resid  93 and name   hn )   2.8   1.0   0.0
assign ( resid  92 and name   ha ) ( resid  93 and name  hb+ )   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 hg2+ ) ( resid  93 and name   hn )   3.8   2.0   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name hd2+ )   2.8   1.0   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name hd1+ )   5.0   3.2   0.0
assign ( resid  93 and name   ha ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name hd2+ )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name hd1+ )   3.8   2.0   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name   hg )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name hd2+ ) ( resid  93 and name   hg )   3.8   2.0   0.0
assign ( resid  93 and name hd2+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name hd1+ ) ( resid  93 and name   hg )   2.8   1.0   0.0
assign ( resid  93 and name hd1+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name   hg ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  94 and name   ha )   5.0   3.2   0.0
assign ( resid  93 and name hd2+ ) ( resid  94 and name   ha )   5.0   3.2   0.0
assign ( resid  93 and name hd2+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name hd2+ ) ( resid 100 and name  he+ )   5.0   3.2   0.0
assign ( resid  93 and name hd2+ ) ( resid 100 and name   hz )   5.0   3.2   0.0
assign ( resid  93 and name hd1+ ) ( resid 100 and name  he+ )   5.0   3.2   0.0
assign ( resid  93 and name hd1+ ) ( resid 100 and name   hz )   3.8   2.0   0.0
assign ( resid  93 and name hd1+ ) ( resid 119 and name hd1+ )   3.8   2.0   0.0
assign ( resid  93 and name   hg ) ( resid 119 and name hd2+ )   2.8   1.0   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name  hb+ )   3.8   2.0   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name   hn )   2.8   1.0   0.0
assign ( resid  94 and name  hb+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name   ha ) ( resid  95 and name   hn )   2.8   1.0   0.0
assign ( resid  94 and name  hb+ ) ( resid  95 and name  hb+ )   3.8   2.0   0.0
assign ( resid  94 and name  hb+ ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name   hn ) ( resid  98 and name  he1 )   3.8   2.0   0.0
assign ( resid  95 and name   ha ) ( resid  95 and name  hb+ )   2.8   1.0   0.0
assign ( resid  95 and name   ha ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name  hb+ ) ( resid  95 and name   hn )   2.8   1.0   0.0
assign ( resid  95 and name   ha ) ( resid  96 and name   hn )   2.8   1.0   0.0
assign ( resid  95 and name  hb+ ) ( resid  96 and name   hn )   3.8   2.0   0.0
assign ( resid  96 and name  ha+ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name  ha+ ) ( resid  97 and name   hn )   3.8   2.0   0.0
assign ( resid  97 and name   ha ) ( resid  97 and name  hb+ )   3.8   2.0   0.0
assign ( resid  97 and name   ha ) ( resid  97 and name hd2+ )   5.0   3.2   0.0
assign ( resid  97 and name   ha ) ( resid  97 and name   hn )   5.0   3.2   0.0
assign ( resid  97 and name  hb+ ) ( resid  97 and name hd2+ )   5.0   3.2   0.0
assign ( resid  97 and name  hb+ ) ( resid  97 and name   hn )   3.8   2.0   0.0
assign ( resid  97 and name   ha ) ( resid  98 and name   hn )   2.8   1.0   0.0
assign ( resid  97 and name  hb+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  98 and name   ha ) ( resid  98 and name  hb+ )   5.0   3.2   0.0
assign ( resid  98 and name   ha ) ( resid  98 and name  hd2 )   5.0   3.2   0.0
assign ( resid  98 and name   ha ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  98 and name  hb+ ) ( resid  98 and name  hd2 )   5.0   3.2   0.0
assign ( resid  98 and name  hb+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  98 and name   ha ) ( resid  99 and name  hb+ )   5.0   3.2   0.0
assign ( resid  98 and name   ha ) ( resid  99 and name   hn )   2.8   1.0   0.0
assign ( resid  98 and name  hb+ ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  98 and name  hb+ ) ( resid 100 and name  he+ )   5.0   3.2   0.0
assign ( resid  98 and name  hb+ ) ( resid 100 and name   hz )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid  99 and name  hb+ )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name  hb+ ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid 100 and name   hn )   2.8   1.0   0.0
assign ( resid  99 and name  hb+ ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name   ha ) ( resid 100 and name  hb+ )   5.0   3.2   0.0
assign ( resid 100 and name   ha ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid 100 and name   ha ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name  hb+ ) ( resid 100 and name  hd+ )   5.0   3.2   0.0
assign ( resid 100 and name  hb+ ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name  hd+ ) ( resid 100 and name   hn )   3.8   2.0   0.0
assign ( resid 100 and name   ha ) ( resid 101 and name  ha+ )   5.0   3.2   0.0
assign ( resid 100 and name   ha ) ( resid 101 and name   hn )   3.8   2.0   0.0
assign ( resid 100 and name  hb+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name  hb+ ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid 100 and name  hb+ ) ( resid 117 and name   hg )   5.0   3.2   0.0
assign ( resid 100 and name  hd+ ) ( resid 117 and name hd++ )   5.0   3.2   0.0
assign ( resid 100 and name  hd+ ) ( resid 117 and name   hg )   5.0   3.2   0.0
assign ( resid 100 and name  he+ ) ( resid 119 and name hd2+ )   5.0   3.2   0.0
assign ( resid 100 and name  he+ ) ( resid 119 and name hd1+ )   5.0   3.2   0.0
assign ( resid 101 and name  ha+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  ha+ ) ( resid 102 and name hg2+ )   5.0   3.2   0.0
assign ( resid 101 and name  ha+ ) ( resid 102 and name   hn )   3.8   2.0   0.0
assign ( resid 101 and name  ha+ ) ( resid 114 and name hg1+ )   5.0   3.2   0.0
assign ( resid 102 and name   ha ) ( resid 102 and name   hb )   5.0   3.2   0.0
assign ( resid 102 and name   ha ) ( resid 102 and name hg1+ )   2.8   1.0   0.0
assign ( resid 102 and name   ha ) ( resid 102 and name hg2+ )   5.0   3.2   0.0
assign ( resid 102 and name   ha ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name   hb ) ( resid 102 and name hg1+ )   2.8   1.0   0.0
assign ( resid 102 and name   hb ) ( resid 102 and name hg2+ )   3.8   2.0   0.0
assign ( resid 102 and name   hb ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name hg1+ ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name hg2+ ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name   ha ) ( resid 103 and name   hn )   2.8   1.0   0.0
assign ( resid 102 and name hg1+ ) ( resid 103 and name   hn )   2.8   1.0   0.0
assign ( resid 102 and name   hb ) ( resid 112 and name  he+ )   5.0   3.2   0.0
assign ( resid 102 and name hg1+ ) ( resid 112 and name  he+ )   5.0   3.2   0.0
assign ( resid 102 and name hg2+ ) ( resid 112 and name  he+ )   2.8   1.0   0.0
assign ( resid 102 and name   hb ) ( resid 114 and name hg2+ )   2.8   1.0   0.0
assign ( resid 102 and name hg1+ ) ( resid 114 and name hg1+ )   5.0   3.2   0.0
assign ( resid 102 and name hg1+ ) ( resid 117 and name   hg )   5.0   3.2   0.0
assign ( resid 102 and name hg2+ ) ( resid 117 and name   hg )   3.8   2.0   0.0
assign ( resid 103 and name   ha ) ( resid 103 and name  hb+ )   5.0   3.2   0.0
assign ( resid 103 and name   ha ) ( resid 103 and name  hg+ )   3.8   2.0   0.0
assign ( resid 103 and name   ha ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name  hb+ ) ( resid 103 and name  hg+ )   2.8   1.0   0.0
assign ( resid 103 and name  hb+ ) ( resid 103 and name  hd+ )   5.0   3.2   0.0
assign ( resid 103 and name  hd+ ) ( resid 103 and name  hg+ )   2.8   1.0   0.0
assign ( resid 103 and name  hg+ ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name   ha ) ( resid 104 and name   hn )   2.8   1.0   0.0
assign ( resid 103 and name  hb+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name  hg+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name   hb )   5.0   3.2   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name hg2+ )   3.8   2.0   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name hg1+ )   2.8   1.0   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name   hn )   3.8   2.0   0.0
assign ( resid 104 and name   hb ) ( resid 104 and name hg2+ )   3.8   2.0   0.0
assign ( resid 104 and name   hb ) ( resid 104 and name hg1+ )   3.8   2.0   0.0
assign ( resid 104 and name   hb ) ( resid 104 and name   hn )   3.8   2.0   0.0
assign ( resid 104 and name hg2+ ) ( resid 104 and name   hn )   3.8   2.0   0.0
assign ( resid 104 and name hg1+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name   ha ) ( resid 105 and name  ha+ )   5.0   3.2   0.0
assign ( resid 104 and name   ha ) ( resid 105 and name   hn )   2.8   1.0   0.0
assign ( resid 104 and name hg1+ ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name hg1+ ) ( resid 108 and name  hb+ )   3.8   2.0   0.0
assign ( resid 104 and name   hb ) ( resid 109 and name  he3 )   5.0   3.2   0.0
assign ( resid 104 and name hg2+ ) ( resid 110 and name  ha+ )   3.8   2.0   0.0
assign ( resid 104 and name hg2+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name hg1+ ) ( resid 110 and name  ha+ )   5.0   3.2   0.0
assign ( resid 104 and name hg1+ ) ( resid 110 and name   hn )   3.8   2.0   0.0
assign ( resid 104 and name hg2+ ) ( resid 111 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name hg1+ ) ( resid 111 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name  ha+ ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name  ha+ ) ( resid 106 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name  ha+ ) ( resid 107 and name  hb+ )   5.0   3.2   0.0
assign ( resid 105 and name   hn ) ( resid 107 and name  hb+ )   5.0   3.2   0.0
assign ( resid 105 and name   hn ) ( resid 108 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name   hn ) ( resid 108 and name  hb+ )   5.0   3.2   0.0
assign ( resid 105 and name   hn ) ( resid 109 and name  hb+ )   5.0   3.2   0.0
assign ( resid 106 and name   ha ) ( resid 106 and name  hb+ )   2.8   1.0   0.0
assign ( resid 106 and name  hb+ ) ( resid 106 and name   hn )   5.0   3.2   0.0
assign ( resid 107 and name   ha ) ( resid 107 and name  hb+ )   3.8   2.0   0.0
assign ( resid 108 and name   ha ) ( resid 108 and name  hb+ )   3.8   2.0   0.0
assign ( resid 108 and name   ha ) ( resid 108 and name   hn )   2.8   1.0   0.0
assign ( resid 108 and name  hb+ ) ( resid 108 and name   hn )   5.0   3.2   0.0
assign ( resid 108 and name   ha ) ( resid 109 and name   hn )   3.8   2.0   0.0
assign ( resid 108 and name  hb+ ) ( resid 109 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name  hb+ )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name  hd1 )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name  he3 )   3.8   2.0   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 109 and name  hd1 )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 109 and name  he3 )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 109 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name  hd1 ) ( resid 109 and name  he1 )   3.8   2.0   0.0
assign ( resid 109 and name  hd1 ) ( resid 109 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name  he1 ) ( resid 109 and name  hz2 )   5.0   3.2   0.0
assign ( resid 109 and name  he3 ) ( resid 109 and name  hz3 )   3.8   2.0   0.0
assign ( resid 109 and name  hh2 ) ( resid 109 and name  hz2 )   3.8   2.0   0.0
assign ( resid 109 and name  hh2 ) ( resid 109 and name  hz3 )   2.8   1.0   0.0
assign ( resid 109 and name  hz2 ) ( resid 109 and name  hz3 )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name  hh2 ) ( resid 110 and name  ha+ )   5.0   3.2   0.0
assign ( resid 110 and name  ha+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 110 and name  ha+ ) ( resid 111 and name  hd+ )   5.0   3.2   0.0
assign ( resid 110 and name  ha+ ) ( resid 111 and name   hn )   3.8   2.0   0.0
assign ( resid 111 and name   ha ) ( resid 111 and name  hb+ )   5.0   3.2   0.0
assign ( resid 111 and name   ha ) ( resid 111 and name  hd+ )   5.0   3.2   0.0
assign ( resid 111 and name   ha ) ( resid 111 and name   hn )   3.8   2.0   0.0
assign ( resid 111 and name  hb+ ) ( resid 111 and name  hd+ )   5.0   3.2   0.0
assign ( resid 111 and name  hb+ ) ( resid 111 and name   hn )   5.0   3.2   0.0
assign ( resid 111 and name  hd+ ) ( resid 111 and name   hn )   5.0   3.2   0.0
assign ( resid 111 and name   ha ) ( resid 112 and name   hn )   3.8   2.0   0.0
assign ( resid 111 and name   hn ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name  hb+ ) ( resid 112 and name  hg+ )   3.8   2.0   0.0
assign ( resid 112 and name  hb+ ) ( resid 112 and name  he+ )   5.0   3.2   0.0
assign ( resid 112 and name  he+ ) ( resid 112 and name  hg+ )   5.0   3.2   0.0
assign ( resid 112 and name  hg+ ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 113 and name   hn )   3.8   2.0   0.0
assign ( resid 112 and name  hb+ ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name  he+ ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name  hg+ ) ( resid 113 and name   ha )   5.0   3.2   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name  hb+ )   5.0   3.2   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name  hb+ ) ( resid 113 and name hd2+ )   5.0   3.2   0.0
assign ( resid 113 and name  hb+ ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   ha ) ( resid 114 and name   hn )   2.8   1.0   0.0
assign ( resid 113 and name   ha ) ( resid 114 and name hg2+ )   5.0   3.2   0.0
assign ( resid 114 and name   ha ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid 114 and name   ha ) ( resid 114 and name hg2+ )   3.8   2.0   0.0
assign ( resid 114 and name   ha ) ( resid 114 and name hg1+ )   3.8   2.0   0.0
assign ( resid 114 and name   ha ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   hb ) ( resid 114 and name hg2+ )   2.8   1.0   0.0
assign ( resid 114 and name   hb ) ( resid 114 and name hg1+ )   2.8   1.0   0.0
assign ( resid 114 and name   hb ) ( resid 114 and name   hn )   3.8   2.0   0.0
assign ( resid 114 and name hg2+ ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   ha ) ( resid 115 and name   hn )   3.8   2.0   0.0
assign ( resid 114 and name hg1+ ) ( resid 115 and name   hn )   3.8   2.0   0.0
assign ( resid 114 and name hg1+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 116 and name  hb+ )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name   hn ) ( resid 116 and name   hn )   3.8   2.0   0.0
assign ( resid 116 and name   ha ) ( resid 116 and name  hb+ )   3.8   2.0   0.0
assign ( resid 116 and name   ha ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 116 and name  hb+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 116 and name   ha ) ( resid 117 and name   hn )   3.8   2.0   0.0
assign ( resid 116 and name  hb+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name   ha ) ( resid 117 and name hd++ )   3.8   2.0   0.0
assign ( resid 117 and name   ha ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name  hb+ ) ( resid 117 and name hd++ )   3.8   2.0   0.0
assign ( resid 117 and name  hb+ ) ( resid 117 and name   hg )   5.0   3.2   0.0
assign ( resid 117 and name  hb+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name hd++ ) ( resid 117 and name   hg )   2.8   1.0   0.0
assign ( resid 117 and name hd++ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name   ha ) ( resid 118 and name   hn )   3.8   2.0   0.0
assign ( resid 117 and name  hb+ ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name hd++ ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name hd++ ) ( resid 119 and name hd1+ )   3.8   2.0   0.0
assign ( resid 117 and name hd++ ) ( resid 119 and name   hg )   3.8   2.0   0.0
assign ( resid 117 and name   hg ) ( resid 119 and name hd1+ )   5.0   3.2   0.0
assign ( resid 118 and name   ha ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 118 and name   ha ) ( resid 118 and name  hg+ )   5.0   3.2   0.0
assign ( resid 118 and name   ha ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 118 and name  hb+ ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 118 and name  hb+ ) ( resid 118 and name  hd+ )   5.0   3.2   0.0
assign ( resid 118 and name  hb+ ) ( resid 118 and name  he+ )   5.0   3.2   0.0
assign ( resid 118 and name  hb+ ) ( resid 118 and name  hg+ )   5.0   3.2   0.0
assign ( resid 118 and name  hd+ ) ( resid 118 and name  he+ )   5.0   3.2   0.0
assign ( resid 118 and name  hd+ ) ( resid 118 and name  hg+ )   3.8   2.0   0.0
assign ( resid 118 and name  he+ ) ( resid 118 and name  hg+ )   5.0   3.2   0.0
assign ( resid 118 and name   ha ) ( resid 119 and name   hn )   2.8   1.0   0.0
assign ( resid 118 and name  hg+ ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 118 and name  he+ ) ( resid 120 and name  hb+ )   5.0   3.2   0.0
assign ( resid 118 and name  hg+ ) ( resid 120 and name  hg+ )   5.0   3.2   0.0
assign ( resid 118 and name  hg+ ) ( resid 120 and name  hb+ )   5.0   3.2   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name  hb+ )   5.0   3.2   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name hd2+ )   3.8   2.0   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name   hg )   5.0   3.2   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name hd1+ )   5.0   3.2   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name hd1+ )   5.0   3.2   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name   hg )   3.8   2.0   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name hd2+ )   5.0   3.2   0.0
assign ( resid 119 and name hd2+ ) ( resid 119 and name   hg )   3.8   2.0   0.0
assign ( resid 119 and name hd1+ ) ( resid 119 and name   hg )   3.8   2.0   0.0
assign ( resid 119 and name   hg ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name   ha ) ( resid 120 and name   hn )   3.8   2.0   0.0
assign ( resid 119 and name  hb+ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name hd2+ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name   hg ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name   ha ) ( resid 120 and name  hb+ )   3.8   2.0   0.0
assign ( resid 120 and name   ha ) ( resid 120 and name  hg+ )   5.0   3.2   0.0
assign ( resid 120 and name   ha ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name  hb+ ) ( resid 120 and name  hg+ )   2.8   1.0   0.0
assign ( resid 120 and name  hb+ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name  hg+ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name   ha ) ( resid 121 and name   hn )   3.8   2.0   0.0
assign ( resid 120 and name  hb+ ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name  hb+ ) ( resid 122 and name hd++ )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name  hb+ )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name hd++ )   2.8   1.0   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name   hg )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name  hb+ ) ( resid 121 and name hd++ )   5.0   3.2   0.0
assign ( resid 121 and name  hb+ ) ( resid 121 and name   hg )   3.8   2.0   0.0
assign ( resid 121 and name  hb+ ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name hd++ ) ( resid 121 and name   hg )   2.8   1.0   0.0
assign ( resid 121 and name   hg ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 122 and name hd++ )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 122 and name   hn )   3.8   2.0   0.0
assign ( resid 121 and name hd++ ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name  hb+ ) ( resid 127 and name hg1+ )   3.8   2.0   0.0
assign ( resid 121 and name hd++ ) ( resid 127 and name hg1+ )   3.8   2.0   0.0
assign ( resid 121 and name   hg ) ( resid 127 and name hg1+ )   2.8   1.0   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name  hb+ )   3.8   2.0   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name hd++ )   2.8   1.0   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name   hg )   5.0   3.2   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name  hb+ ) ( resid 122 and name hd++ )   3.8   2.0   0.0
assign ( resid 122 and name  hb+ ) ( resid 122 and name   hg )   3.8   2.0   0.0
assign ( resid 122 and name  hb+ ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name hd++ ) ( resid 122 and name   hg )   2.8   1.0   0.0
assign ( resid 122 and name hd++ ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name   hg ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name   ha ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name  ha+ ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name  ha+ ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name   hn ) ( resid 124 and name  ha+ )   5.0   3.2   0.0
assign ( resid 124 and name  ha+ ) ( resid 125 and name   hn )   3.8   2.0   0.0
assign ( resid 125 and name   ha ) ( resid 125 and name   hn )   3.8   2.0   0.0
assign ( resid 125 and name   ha ) ( resid 126 and name   hn )   5.0   3.2   0.0
assign ( resid 126 and name   ha ) ( resid 126 and name   hb )   2.8   1.0   0.0
assign ( resid 126 and name   ha ) ( resid 126 and name   hn )   5.0   3.2   0.0
assign ( resid 126 and name   hb ) ( resid 126 and name hg2+ )   5.0   3.2   0.0
assign ( resid 127 and name   hb ) ( resid 127 and name hg1+ )   5.0   3.2   0.0
assign ( resid 127 and name   hb ) ( resid 127 and name hg2+ )   2.8   1.0   0.0
assign ( resid 127 and name hd1+ ) ( resid 127 and name hg1+ )   3.8   2.0   0.0
!Dihedral
assign (resid    4  and name C)  (resid    5  and name N)
       (resid    5  and name CA) (resid    5  and name C)  1.0 -120.0 40.0 2
assign (resid    7  and name C)  (resid    8  and name N)
       (resid    8  and name CA) (resid    8  and name C)  1.0 -120.0 40.0 2
assign (resid    9  and name C)  (resid   10  and name N)
       (resid   10  and name CA) (resid   10  and name C)  1.0 -120.0 40.0 2
assign (resid   11  and name C)  (resid   12  and name N)
       (resid   12  and name CA) (resid   12  and name C)  1.0 -55.0 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 -120.0 50.0 2
assign (resid   14  and name C)  (resid   15  and name N)
       (resid   15  and name CA) (resid   15  and name C)  1.0 -120.0 40.0 2
assign (resid   15  and name C)  (resid   16  and name N)
       (resid   16  and name CA) (resid   16  and name C)  1.0 -120.0 40.0 2
assign (resid   16  and name C)  (resid   17  and name N)
       (resid   17  and name CA) (resid   17  and name C)  1.0 -120.0 40.0 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 50.0 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   21  and name C)  (resid   22  and name N)
       (resid   22  and name CA) (resid   22  and name C)  1.0 -120.0 60.0 2
assign (resid   22  and name C)  (resid   23  and name N)
       (resid   23  and name CA) (resid   23  and name C)  1.0 -120.0 50.0 2
assign (resid   23  and name C)  (resid   24  and name N)
       (resid   24  and name CA) (resid   24  and name C)  1.0 -120.0 40.0 2
assign (resid   24  and name C)  (resid   25  and name N)
       (resid   25  and name CA) (resid   25  and name C)  1.0 -120.0 40.0 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   29  and name C)  (resid   30  and name N)
       (resid   30  and name CA) (resid   30  and name C)  1.0 -120.0 60.0 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
assign (resid   31  and name C)  (resid   32  and name N)
       (resid   32  and name CA) (resid   32  and name C)  1.0 -120.0 40.0 2
assign (resid   33  and name C)  (resid   34  and name N)
       (resid   34  and name CA) (resid   34  and name C)  1.0 -55.0 35.0 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 50.0 2
assign (resid   38  and name C)  (resid   39  and name N)
       (resid   39  and name CA) (resid   39  and name C)  1.0 -120.0 40.0 2
assign (resid   41  and name C)  (resid   42  and name N)
       (resid   42  and name CA) (resid   42  and name C)  1.0 -120.0 40.0 2
assign (resid   42  and name C)  (resid   43  and name N)
       (resid   43  and name CA) (resid   43  and name C)  1.0 -120.0 50.0 2
assign (resid   45  and name C)  (resid   46  and name N)
       (resid   46  and name CA) (resid   46  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 -120.0 50.0 2
assign (resid   49  and name C)  (resid   50  and name N)
       (resid   50  and name CA) (resid   50  and name C)  1.0 -120.0 40.0 2
assign (resid   50  and name C)  (resid   51  and name N)
       (resid   51  and name CA) (resid   51  and name C)  1.0 -120.0 40.0 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   59  and name C)  (resid   60  and name N)
       (resid   60  and name CA) (resid   60  and name C)  1.0 -120.0 40.0 2
assign (resid   60  and name C)  (resid   61  and name N)
       (resid   61  and name CA) (resid   61  and name C)  1.0 165.0 40.0 2
assign (resid   65  and name C)  (resid   66  and name N)
       (resid   66  and name CA) (resid   66  and name C)  1.0 -120.0 40.0 2
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 50.0 2
assign (resid   67  and name C)  (resid   68  and name N)
       (resid   68  and name CA) (resid   68  and name C)  1.0 -120.0 40.0 2
assign (resid   71  and name C)  (resid   72  and name N)
       (resid   72  and name CA) (resid   72  and name C)  1.0 -120.0 40.0 2
assign (resid   72  and name C)  (resid   73  and name N)
       (resid   73  and name CA) (resid   73  and name C)  1.0 -120.0 40.0 2
assign (resid   73  and name C)  (resid   74  and name N)
       (resid   74  and name CA) (resid   74  and name C)  1.0 -120.0 40.0 2
assign (resid   74  and name C)  (resid   75  and name N)
       (resid   75  and name CA) (resid   75  and name C)  1.0 -120.0 40.0 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 40.0 2
assign (resid   76  and name C)  (resid   77  and name N)
       (resid   77  and name CA) (resid   77  and name C)  1.0 -120.0 40.0 2
assign (resid   81  and name C)  (resid   82  and name N)
       (resid   82  and name CA) (resid   82  and name C)  1.0 -120.0 40.0 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
assign (resid   84  and name C)  (resid   85  and name N)
       (resid   85  and name CA) (resid   85  and name C)  1.0 -120.0 40.0 2
assign (resid   85  and name C)  (resid   86  and name N)
       (resid   86  and name CA) (resid   86  and name C)  1.0 -120.0 40.0 2
assign (resid   87  and name C)  (resid   88  and name N)
       (resid   88  and name CA) (resid   88  and name C)  1.0 -120.0 40.0 2
assign (resid   88  and name C)  (resid   89  and name N)
       (resid   89  and name CA) (resid   89  and name C)  1.0 -120.0 40.0 2
assign (resid   89  and name C)  (resid   90  and name N)
       (resid   90  and name CA) (resid   90  and name C)  1.0 -120.0 40.0 2
assign (resid   90  and name C)  (resid   91  and name N)
       (resid   91  and name CA) (resid   91  and name C)  1.0 -120.0 40.0 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   96  and name C)  (resid   97  and name N)
       (resid   97  and name CA) (resid   97  and name C)  1.0 -135.0 40.0 2
assign (resid   97  and name C)  (resid   98  and name N)
       (resid   98  and name CA) (resid   98  and name C)  1.0 -120.0 40.0 2
assign (resid   98  and name C)  (resid   99  and name N)
       (resid   99  and name CA) (resid   99  and name C)  1.0 -120.0 40.0 2
assign (resid   99  and name C)  (resid  100  and name N)
       (resid  100  and name CA) (resid  100  and name C)  1.0 -120.0 40.0 2
assign (resid  101  and name C)  (resid  102  and name N)
       (resid  102  and name CA) (resid  102  and name C)  1.0 -120.0 40.0 2
assign (resid  102  and name C)  (resid  103  and name N)
       (resid  103  and name CA) (resid  103  and name C)  1.0 -120.0 40.0 2
assign (resid  103  and name C)  (resid  104  and name N)
       (resid  104  and name CA) (resid  104  and name C)  1.0 -120.0 40.0 2
assign (resid  110  and name C)  (resid  111  and name N)
       (resid  111  and name CA) (resid  111  and name C)  1.0 180.0 40.0 2
assign (resid  113  and name C)  (resid  114  and name N)
       (resid  114  and name CA) (resid  114  and name C)  1.0 -120.0 40.0 2
assign (resid  116  and name C)  (resid  117  and name N)
       (resid  117  and name CA) (resid  117  and name C)  1.0 -120.0 40.0 2
assign (resid  117  and name C)  (resid  118  and name N)
       (resid  118  and name CA) (resid  118  and name C)  1.0 -120.0 40.0 2
assign (resid  118  and name C)  (resid  119  and name N)
       (resid  119  and name CA) (resid  119  and name C)  1.0 -120.0 50.0 2
assign (resid  124  and name C)  (resid  125  and name N)
       (resid  125  and name CA) (resid  125  and name C)  1.0 -120.0 40.0 2
assign (resid  2 and name c ) (resid  3 and name n ) 
 (resid  3 and name ca ) (resid  3 and name c ) 1.0   -96 38  2 ! 3 -96 38
assign (resid  3 and name n ) (resid  3 and name ca ) 
 (resid  3 and name c ) (resid  4 and name n ) 1.0   129 34  2 ! 3 129 34
assign (resid  8 and name n ) (resid  8 and name ca ) 
 (resid  8 and name c ) (resid  9 and name n ) 1.0   151 44  2 ! 8 151 44
assign (resid  8 and name c ) (resid  9 and name n ) 
 (resid  9 and name ca ) (resid  9 and name c ) 1.0   -118 45  2 ! 9 -118 45
assign (resid  9 and name n ) (resid  9 and name ca ) 
 (resid  9 and name c ) (resid  10 and name n ) 1.0   128 23  2 ! 9 128 23
assign (resid  10 and name n ) (resid  10 and name ca ) 
 (resid  10 and name c ) (resid  11 and name n ) 1.0   128 32  2 ! 10 128 32
assign (resid  10 and name c ) (resid  11 and name n ) 
 (resid  11 and name ca ) (resid  11 and name c ) 1.0   -116 41  2 ! 11 -116 41
assign (resid  11 and name n ) (resid  11 and name ca ) 
 (resid  11 and name c ) (resid  12 and name n ) 1.0   136 41  2 ! 11 136 41
assign (resid  12 and name n ) (resid  12 and name ca ) 
 (resid  12 and name c ) (resid  13 and name n ) 1.0   145 13  2 ! 12 145 13
assign (resid  12 and name c ) (resid  13 and name n ) 
 (resid  13 and name ca ) (resid  13 and name c ) 1.0   -62 10  2 ! 13 -62 10
assign (resid  13 and name n ) (resid  13 and name ca ) 
 (resid  13 and name c ) (resid  14 and name n ) 1.0   -24 20  2 ! 13 -24 20
assign (resid  14 and name n ) (resid  14 and name ca ) 
 (resid  14 and name c ) (resid  15 and name n ) 1.0   -25 34  2 ! 14 -25 34
assign (resid  15 and name n ) (resid  15 and name ca ) 
 (resid  15 and name c ) (resid  16 and name n ) 1.0   -10 42  2 ! 15 -10 42
assign (resid  17 and name n ) (resid  17 and name ca ) 
 (resid  17 and name c ) (resid  18 and name n ) 1.0   126 22  2 ! 17 126 22
assign (resid  18 and name n ) (resid  18 and name ca ) 
 (resid  18 and name c ) (resid  19 and name n ) 1.0   125 52  2 ! 18 125 52
assign (resid  19 and name n ) (resid  19 and name ca ) 
 (resid  19 and name c ) (resid  20 and name n ) 1.0   126 16  2 ! 19 126 16
assign (resid  23 and name n ) (resid  23 and name ca ) 
 (resid  23 and name c ) (resid  24 and name n ) 1.0   125 22  2 ! 23 150 22
assign (resid  24 and name n ) (resid  24 and name ca ) 
 (resid  24 and name c ) (resid  25 and name n ) 1.0   121 30  2 ! 24 121 30
assign (resid  25 and name n ) (resid  25 and name ca ) 
 (resid  25 and name c ) (resid  26 and name n ) 1.0   122 34  2 ! 25 122 34
assign (resid  28 and name n ) (resid  28 and name ca ) 
 (resid  28 and name c ) (resid  29 and name n ) 1.0   142 52  2 ! 28 142 52
assign (resid  30 and name n ) (resid  30 and name ca ) 
 (resid  30 and name c ) (resid  31 and name n ) 1.0   118 40  2 ! 30 118 40
assign (resid  34 and name c ) (resid  35 and name n ) 
 (resid  35 and name ca ) (resid  35 and name c ) 1.0   96 10  2 ! 35 96 10
assign (resid  35 and name n ) (resid  35 and name ca ) 
 (resid  35 and name c ) (resid  36 and name n ) 1.0   -14 14  2 ! 35 -14 14
assign (resid  37 and name c ) (resid  38 and name n ) 
 (resid  38 and name ca ) (resid  38 and name c ) 1.0   -114 34  2 ! 38 -114 34
assign (resid  38 and name n ) (resid  38 and name ca ) 
 (resid  38 and name c ) (resid  39 and name n ) 1.0   108 18  2 ! 38 108 18
assign (resid  39 and name n ) (resid  39 and name ca ) 
 (resid  39 and name c ) (resid  40 and name n ) 1.0   153 52  2 ! 39 153 52
assign (resid  39 and name c ) (resid  40 and name n ) 
 (resid  40 and name ca ) (resid  40 and name c ) 1.0   -100 42  2 ! 40 -100 42
assign (resid  40 and name n ) (resid  40 and name ca ) 
 (resid  40 and name c ) (resid  41 and name n ) 1.0   127 22  2 ! 40 127 22
assign (resid  40 and name c ) (resid  41 and name n ) 
 (resid  41 and name ca ) (resid  41 and name c ) 1.0   -100 48  2 ! 41 -100 48
assign (resid  41 and name n ) (resid  41 and name ca ) 
 (resid  41 and name c ) (resid  42 and name n ) 1.0   136 24  2 ! 41 136 24
assign (resid  42 and name n ) (resid  42 and name ca ) 
 (resid  42 and name c ) (resid  43 and name n ) 1.0   147 38  2 ! 42 147 38
assign (resid  43 and name n ) (resid  43 and name ca ) 
 (resid  43 and name c ) (resid  44 and name n ) 1.0   126 22  2 ! 43 126 22
assign (resid  46 and name c ) (resid  47 and name n ) 
 (resid  47 and name ca ) (resid  47 and name c ) 1.0   -103 26  2 ! 47 -103 26
assign (resid  50 and name n ) (resid  50 and name ca ) 
 (resid  50 and name c ) (resid  51 and name n ) 1.0   144 28  2 ! 50 144 28
assign (resid  51 and name n ) (resid  51 and name ca ) 
 (resid  51 and name c ) (resid  52 and name n ) 1.0   126 22  2 ! 51 126 22
assign (resid  51 and name c ) (resid  52 and name n ) 
 (resid  52 and name ca ) (resid  52 and name c ) 1.0   -113 34  2 ! 52 -113 34
assign (resid  52 and name n ) (resid  52 and name ca ) 
 (resid  52 and name c ) (resid  53 and name n ) 1.0   131 18  2 ! 52 131 18
assign (resid  52 and name c ) (resid  53 and name n ) 
 (resid  53 and name ca ) (resid  53 and name c ) 1.0   -114 34  2 ! 53 -114 34
assign (resid  53 and name n ) (resid  53 and name ca ) 
 (resid  53 and name c ) (resid  54 and name n ) 1.0   127 22  2 ! 53 127 22
assign (resid  53 and name c ) (resid  54 and name n ) 
 (resid  54 and name ca ) (resid  54 and name c ) 1.0   -120 20  2 ! 54 -120 20
assign (resid  54 and name n ) (resid  54 and name ca ) 
 (resid  54 and name c ) (resid  55 and name n ) 1.0   122 14  2 ! 54 122 14
assign (resid  54 and name c ) (resid  55 and name n ) 
 (resid  55 and name ca ) (resid  55 and name c ) 1.0   -114 22  2 ! 55 -114 22
assign (resid  55 and name n ) (resid  55 and name ca ) 
 (resid  55 and name c ) (resid  56 and name n ) 1.0   125 20  2 ! 55 125 20
assign (resid  55 and name c ) (resid  56 and name n ) 
 (resid  56 and name ca ) (resid  56 and name c ) 1.0   -127 32  2 ! 56 -127 32
assign (resid  56 and name n ) (resid  56 and name ca ) 
 (resid  56 and name c ) (resid  57 and name n ) 1.0   143 24  2 ! 56 143 24
assign (resid  60 and name n ) (resid  60  and name ca )
 (resid  60 and name c ) (resid  61 and name n ) 1.0   -85 30  2 ! 60 -85 30
assign (resid  62 and name c ) (resid  63 and name n ) 
 (resid  63 and name ca ) (resid  63 and name c ) 1.0   -124 56  2 ! 63 -124 56
assign (resid  63 and name n ) (resid  63 and name ca ) 
 (resid  63 and name c ) (resid  64 and name n ) 1.0   147 24  2 ! 63 147 24
assign (resid  64 and name c ) (resid  65 and name n ) 
 (resid  65 and name ca ) (resid  65 and name c ) 1.0   -131 40  2 ! 65 -131 40
assign (resid  65 and name n ) (resid  65 and name ca ) 
 (resid  65 and name c ) (resid  66 and name n ) 1.0   145 24  2 ! 65 145 24
assign (resid  66 and name n ) (resid  66 and name ca ) 
 (resid  66 and name c ) (resid  67 and name n ) 1.0   124 13  2 ! 66 124 13
assign (resid  67 and name n ) (resid  67 and name ca ) 
 (resid  67 and name c ) (resid  68 and name n ) 1.0   125 21  2 ! 67 125 21
assign (resid  68 and name n ) (resid  68 and name ca ) 
 (resid  68 and name c ) (resid  69 and name n ) 1.0   117 20  2 ! 68 117 20
assign (resid  68 and name c ) (resid  69 and name n ) 
 (resid  69 and name ca ) (resid  69 and name c ) 1.0   -113 38  2 ! 69 -113 38
assign (resid  69 and name n ) (resid  69 and name ca ) 
 (resid  69 and name c ) (resid  70 and name n ) 1.0   120 24  2 ! 69 120 24
assign (resid  70 and name c ) (resid  71 and name n ) 
 (resid  71 and name ca ) (resid  71 and name c ) 1.0   83 18  2 ! 71 83 18
assign (resid  71 and name n ) (resid  71 and name ca ) 
 (resid  71 and name c ) (resid  72 and name n ) 1.0   0 26  2 ! 71 0 26
assign (resid  72 and name n ) (resid  72 and name ca ) 
 (resid  72 and name c ) (resid  73 and name n ) 1.0   130 28  2 ! 72 130 28
assign (resid  74 and name n ) (resid  74 and name ca ) 
 (resid  74 and name c ) (resid  75 and name n ) 1.0   125 32  2 ! 74 125 32
assign (resid  75 and name n ) (resid  75 and name ca ) 
 (resid  75 and name c ) (resid  76 and name n ) 1.0   130 24  2 ! 75 130 24
assign (resid  76 and name n ) (resid  76 and name ca ) 
 (resid  76 and name c ) (resid  77 and name n ) 1.0   129 22  2 ! 76 129 22
assign (resid  77 and name n ) (resid  77 and name ca ) 
 (resid  77 and name c ) (resid  78 and name n ) 1.0   121 28  2 ! 77 121 28
assign (resid  85 and name n ) (resid  85 and name ca ) 
 (resid  85 and name c ) (resid  86 and name n ) 1.0   135 26  2 ! 85 135 26
assign (resid  86 and name n ) (resid  86 and name ca ) 
 (resid  86 and name c ) (resid  87 and name n ) 1.0   128 28  2 ! 86 128 28
assign (resid  88 and name n ) (resid  88 and name ca ) 
 (resid  88 and name c ) (resid  89 and name n ) 1.0   136 46  2 ! 88 136 46
assign (resid  89 and name n ) (resid  89 and name ca ) 
 (resid  89 and name c ) (resid  90 and name n ) 1.0   147 34  2 ! 89 147 34
assign (resid  90 and name n ) (resid  90 and name ca ) 
 (resid  90 and name c ) (resid  91 and name n ) 1.0   133 16  2 ! 90 133 16
assign (resid  91 and name n ) (resid  91 and name ca ) 
 (resid  91 and name c ) (resid  92 and name n ) 1.0   134 22  2 ! 91 134 22
assign (resid  91 and name c ) (resid  92 and name n ) 
 (resid  92 and name ca ) (resid  92 and name c ) 1.0   -100 36  2 ! 92 -100 36
assign (resid  92 and name n ) (resid  92 and name ca ) 
 (resid  92 and name c ) (resid  93 and name n ) 1.0   129 18  2 ! 92 129 18
assign (resid  93 and name n ) (resid  93 and name ca ) 
 (resid  93 and name c ) (resid  94 and name n ) 1.0   154 12  2 ! 93 154 12
assign (resid  93 and name c ) (resid  94 and name n ) 
 (resid  94 and name ca ) (resid  94 and name c ) 1.0   -86 30  2 ! 94 -86 30
assign (resid  94 and name n ) (resid  94 and name ca ) 
 (resid  94 and name c ) (resid  95 and name n ) 1.0   135 28  2 ! 94 135 28
assign (resid  94 and name c ) (resid  95 and name n ) 
 (resid  95 and name ca ) (resid  95 and name c ) 1.0   -63 18  2 ! 95 -63 18
assign (resid  95 and name n ) (resid  95 and name ca ) 
 (resid  95 and name c ) (resid  96 and name n ) 1.0   136 14  2 ! 95 136 14
assign (resid  97 and name n ) (resid  97 and name ca ) 
 (resid  97 and name c ) (resid  98 and name n ) 1.0   131 14  2 ! 97 131 14
assign (resid  98 and name n ) (resid  98 and name ca ) 
 (resid  98 and name c ) (resid  99 and name n ) 1.0   145 24  2 ! 98 145 24
assign (resid  99 and name n ) (resid  99 and name ca ) 
 (resid  99 and name c ) (resid  100 and name n ) 1.0   137 32  2 ! 99 137 32
assign (resid  100 and name n ) (resid  100 and name ca ) 
 (resid  100 and name c ) (resid  101 and name n ) 1.0   151 24  2 ! 100 151 24
assign (resid  102 and name n ) (resid  102 and name ca ) 
 (resid  102 and name c ) (resid  103 and name n ) 1.0   147 34  2 ! 102 147 34
assign (resid  103 and name n ) (resid  103 and name ca ) 
 (resid  103 and name c ) (resid  104 and name n ) 1.0   150 30  2 ! 103 150 30
assign (resid  104 and name n ) (resid  104 and name ca ) 
 (resid  104 and name c ) (resid  105 and name n ) 1.0   120 22  2 ! 104 120 22
assign (resid  105 and name c ) (resid  106 and name n ) 
 (resid  106 and name ca ) (resid  106 and name c ) 1.0   -61 18  2 ! 106 -61 18
assign (resid  106 and name n ) (resid  106 and name ca ) 
 (resid  106 and name c ) (resid  107 and name n ) 1.0   -28 22  2 ! 106 -28 22
assign (resid  106 and name c ) (resid  107 and name n ) 
 (resid  107 and name ca ) (resid  107 and name c ) 1.0   -88 26  2 ! 107 -88 26
assign (resid  107 and name n ) (resid  107 and name ca ) 
 (resid  107 and name c ) (resid  108 and name n ) 1.0   -5 24  2 ! 107 -5 24
assign (resid  109 and name n ) (resid  109 and name ca )
 (resid  109 and name c ) (resid  110 and name n ) 1.0   127 30  2 ! 109 127 30
assign (resid  112 and name c ) (resid  113 and name n ) 
 (resid  113 and name ca ) (resid  113 and name c ) 1.0   -125 44  2 ! 113 -125 44
assign (resid  113 and name n ) (resid  113 and name ca ) 
 (resid  113 and name c ) (resid  114 and name n ) 1.0   152 20  2 ! 113 152 20
assign (resid  114 and name n ) (resid  114 and name ca ) 
 (resid  114 and name c ) (resid  115 and name n ) 1.0   132 46  2 ! 114 132 46
assign (resid  115 and name c ) (resid  116 and name n ) 
 (resid  116 and name ca ) (resid  116 and name c ) 1.0   -158 26  2 ! 116 -158 26
assign (resid  116 and name n ) (resid  116 and name ca ) 
 (resid  116 and name c ) (resid  117 and name n ) 1.0   149 28  2 ! 116 149 28
assign (resid  118 and name n ) (resid  118 and name ca ) 
 (resid  118 and name c ) (resid  119 and name n ) 1.0   131 12  2 ! 118 131 12
assign (resid  119 and name n ) (resid  119 and name ca ) 
 (resid  119 and name c ) (resid  120 and name n ) 1.0   136 28  2 ! 119 136 28
assign (resid  120 and name n ) (resid  120 and name ca ) 
 (resid  120 and name c ) (resid  121 and name n ) 1.0   141 50  2 ! 120 141 50
assign (resid  125 and name c ) (resid  126 and name n ) 
 (resid  126 and name ca ) (resid  126 and name c ) 1.0   -104 54  2 ! 126 -104 54
assign (resid  126 and name n ) (resid  126 and name ca ) 
 (resid  126 and name c ) (resid  127 and name n ) 1.0   131 54  2 ! 126 131 54
!Hydrogen bonds
assign (resid    9  and name HN   )(resid  119  and name O    )   2.3 0.5 0.2
assign (resid    9  and name N    )(resid  119  and name O    )   3.3 0.8 0.2

assign (resid  119  and name HN   )(resid    9  and name O    )   2.3 0.5 0.2
assign (resid  119  and name N    )(resid    9  and name O    )   3.3 0.8 0.2

assign (resid   11  and name HN   )(resid  117  and name O    )   2.3 0.5 0.2
assign (resid   11  and name N    )(resid  117  and name O    )   3.3 0.8 0.2

assign (resid   55  and name HN   )(resid  116  and name O    )   2.3 0.5 0.2
assign (resid   55  and name N    )(resid  116  and name O    )   3.3 0.8 0.2

assign (resid  118  and name HN   )(resid   53  and name O    )   2.3 0.5 0.2
assign (resid  118  and name N    )(resid   53  and name O    )   3.3 0.8 0.2

assign (resid   53  and name HN   )(resid  118  and name O    )   2.3 0.5 0.2
assign (resid   53  and name N    )(resid  118  and name O    )   3.3 0.8 0.2

assign (resid  120  and name HN   )(resid   51  and name O    )   2.3 0.5 0.2
assign (resid  120  and name N    )(resid   51  and name O    )   3.3 0.8 0.2

assign (resid   51  and name HN   )(resid  120  and name O    )   2.3 0.5 0.2
assign (resid   51  and name N    )(resid  120  and name O    )   3.3 0.8 0.2

assign (resid   85  and name HN   )(resid   56  and name O    )   2.3 0.5 0.2
assign (resid   85  and name N    )(resid   56  and name O    )   3.3 0.8 0.2

assign (resid   56  and name HN   )(resid   85  and name O    )   2.3 0.5 0.2
assign (resid   56  and name N    )(resid   85  and name O    )   3.3 0.8 0.2

assign (resid   87  and name HN   )(resid   54  and name O    )   2.3 0.5 0.2
assign (resid   87  and name N    )(resid   54  and name O    )   3.3 0.8 0.2

assign (resid   54  and name HN   )(resid   87  and name O    )   2.3 0.5 0.2
assign (resid   54  and name N    )(resid   87  and name O    )   3.3 0.8 0.2

assign (resid   91  and name HN   )(resid   50  and name O    )   2.3 0.5 0.2
assign (resid   91  and name N    )(resid   50  and name O    )   3.3 0.8 0.2

assign (resid   50  and name HN   )(resid   91  and name O    )   2.3 0.5 0.2
assign (resid   50  and name N    )(resid   91  and name O    )   3.3 0.8 0.2

assign (resid   93  and name HN   )(resid   48  and name O    )   2.3 0.5 0.2
assign (resid   93  and name N    )(resid   48  and name O    )   3.3 0.8 0.2

assign (resid   48  and name HN   )(resid   93  and name O    )   2.3 0.5 0.2
assign (resid   48  and name N    )(resid   93  and name O    )   3.3 0.8 0.2

assign (resid   69  and name HN   )(resid   72  and name O    )   2.3 0.5 0.2
assign (resid   69  and name N    )(resid   72  and name O    )   3.3 0.8 0.2

assign (resid   74  and name HN   )(resid   67  and name O    )   2.3 0.5 0.2
assign (resid   74  and name N    )(resid   67  and name O    )   3.3 0.8 0.2

assign (resid   67  and name HN   )(resid   74  and name O    )   2.3 0.5 0.2
assign (resid   67  and name N    )(resid   74  and name O    )   3.3 0.8 0.2

assign (resid   76  and name HN   )(resid   65  and name O    )   2.3 0.5 0.2
assign (resid   76  and name N    )(resid   65  and name O    )   3.3 0.8 0.2

assign (resid   65  and name HN   )(resid   76  and name O    )   2.3 0.5 0.2
assign (resid   65  and name N    )(resid   76  and name O    )   3.3 0.8 0.2

assign (resid   78  and name HN   )(resid   63  and name O    )   2.3 0.5 0.2
assign (resid   78  and name N    )(resid   63  and name O    )   3.3 0.8 0.2

assign (resid   63  and name HN   )(resid   78  and name O    )   2.3 0.5 0.2
assign (resid   63  and name N    )(resid   78  and name O    )   3.3 0.8 0.2

assign (resid   66  and name HN   )(resid  103  and name O    )   2.3 0.5 0.2
assign (resid   66  and name N    )(resid  103  and name O    )   3.3 0.8 0.2

assign (resid  103  and name HN   )(resid   66  and name O    )   2.3 0.5 0.2
assign (resid  103  and name N    )(resid   66  and name O    )   3.3 0.8 0.2

assign (resid   68  and name HN   )(resid  101  and name O    )   2.3 0.5 0.2
assign (resid   68  and name N    )(resid  101  and name O    )   3.3 0.8 0.2

assign (resid  101  and name HN   )(resid   68  and name O    )   2.3 0.5 0.2
assign (resid  101  and name N    )(resid   68  and name O    )   3.3 0.8 0.2

assign (resid   38  and name HN   )(resid  102  and name O    )   2.3 0.5 0.2
assign (resid   38  and name N    )(resid  102  and name O    )   3.3 0.8 0.2

assign (resid  102  and name HN   )(resid   38  and name O    )   2.3 0.5 0.2
assign (resid  102  and name N    )(resid   38  and name O    )   3.3 0.8 0.2

assign (resid   40  and name HN   )(resid  100  and name O    )   2.3 0.5 0.2
assign (resid   40  and name N    )(resid  100  and name O    )   3.3 0.8 0.2

assign (resid  100  and name HN   )(resid   40  and name O    )   2.3 0.5 0.2
assign (resid  100  and name N    )(resid   40  and name O    )   3.3 0.8 0.2

assign (resid   17  and name HN   )(resid   39  and name O    )   2.3 0.5 0.2
assign (resid   17  and name N    )(resid   39  and name O    )   3.3 0.8 0.2

assign (resid   39  and name HN   )(resid   17  and name O    )   2.3 0.5 0.2
assign (resid   39  and name N    )(resid   17  and name O    )   3.3 0.8 0.2

assign (resid   19  and name HN   )(resid   37  and name O    )   2.3 0.5 0.2
assign (resid   19  and name N    )(resid   37  and name O    )   3.3 0.8 0.2

assign (resid   23  and name HN   )(resid   30  and name O    )   2.3 0.5 0.2
assign (resid   23  and name N    )(resid   30  and name O    )   3.3 0.8 0.2

assign (resid   30  and name HN   )(resid   23  and name O    )   2.3 0.5 0.2
assign (resid   30  and name N    )(resid   23  and name O    )   3.3 0.8 0.2

assign (resid   25  and name HN   )(resid   28  and name O    )   2.3 0.5 0.2
assign (resid   25  and name N    )(resid   28  and name O    )   3.3 0.8 0.2

assign (resid   28  and name HN   )(resid   25  and name O    )   2.3 0.5 0.2
assign (resid   28  and name N    )(resid   25  and name O    )   3.3 0.8 0.2

assign (resid   29  and name HN   )(resid  114  and name O    )   2.3 0.5 0.2
assign (resid   29  and name N    )(resid  114  and name O    )   3.3 0.8 0.2

assign (resid  114  and name HN   )(resid   29  and name O    )   2.3 0.5 0.2
assign (resid  114  and name N    )(resid   29  and name O    )   3.3 0.8 0.2

assign (resid   31  and name HN   )(resid  112  and name O    )   2.3 0.5 0.2
assign (resid   31  and name N    )(resid  112  and name O    )   3.3 0.8 0.2

assign (resid  112  and name HN   )(resid   31  and name O    )   2.3 0.5 0.2
assign (resid  112  and name N    )(resid   31  and name O    )   3.3 0.8 0.2
!
!More hydrogen bonds introduced 08sep04
!
assign (resid   46  and name HN   )(resid   50  and name OH   )   2.3 0.5 0.2
assign (resid   46  and name N    )(resid   50  and name OH   )   3.3 0.8 0.2

assign (resid   32  and name HN   )(resid   36  and name OG   )   2.3 0.5 0.2
assign (resid   32  and name N    )(resid   36  and name OG   )   3.3 0.8 0.2

  Entry H atom name         Submitted Coord H atom name
    1    H    SER   8           HN       SER   8   8.330  -8.600   3.460
    2    HA   SER   8           HA       SER   8   6.174  -6.901   2.481
    3   1HB   SER   8           HB2      SER   8   8.140  -5.203   3.396
    4   2HB   SER   8           HB1      SER   8   6.784  -5.802   4.351
    5    HG   SER   8           HG       SER   8   9.446  -6.722   4.276
    6    H    TRP   9           HN       TRP   9   6.207  -5.953   0.546
    7    HA   TRP   9           HA       TRP   9   8.808  -5.542  -0.771
    8   1HB   TRP   9           HB2      TRP   9   7.387  -5.953  -2.954
    9   2HB   TRP   9           HB1      TRP   9   8.101  -7.299  -2.075
   10    HD1  TRP   9           HD1      TRP   9   4.686  -5.621  -2.690
   11    HE1  TRP   9           HE1      TRP   9   2.847  -7.345  -2.150
   12    HE3  TRP   9           HE3      TRP   9   7.600  -9.320  -0.777
   13    HZ2  TRP   9           HZ2      TRP   9   2.674  -9.950  -1.043
   14    HZ3  TRP   9           HZ3      TRP   9   6.550 -11.397  -0.005
   15    HH2  TRP   9           HH2      TRP   9   4.139 -11.705  -0.127
   16    H    THR  10           HN       THR  10   8.994  -3.744  -2.097
   17    HA   THR  10           HA       THR  10   6.991  -1.673  -1.598
   18    HB   THR  10           HB       THR  10   9.498  -1.054  -3.068
   19    HG1  THR  10           HG1      THR  10  10.651  -1.025  -1.081
   20   1HG2  THR  10          1HG2      THR  10   7.652   0.312  -1.250
   21   2HG2  THR  10          3HG2      THR  10   9.360   0.672  -0.998
   22   3HG2  THR  10          2HG2      THR  10   8.626   0.943  -2.579
   23    H    TYR  11           HN       TYR  11   5.369  -2.015  -3.059
   24    HA   TYR  11           HA       TYR  11   5.880  -2.660  -5.802
   25   1HB   TYR  11           HB2      TYR  11   3.450  -1.970  -4.195
   26   2HB   TYR  11           HB1      TYR  11   3.356  -1.937  -5.947
   27    HD1  TYR  11           HD1      TYR  11   2.076  -3.773  -3.654
   28    HD2  TYR  11           HD2      TYR  11   5.121  -4.279  -6.582
   29    HE1  TYR  11           HE1      TYR  11   1.642  -6.192  -3.677
   30    HE2  TYR  11           HE2      TYR  11   4.697  -6.702  -6.611
   31    HH   TYR  11           HH       TYR  11   2.652  -8.242  -4.284
   32    H    THR  12           HN       THR  12   7.106  -1.092  -6.800
   33    HA   THR  12           HA       THR  12   6.982   1.643  -6.473
   34    HB   THR  12           HB       THR  12   7.848   1.763  -8.852
   35    HG1  THR  12           HG1      THR  12   7.736  -1.061  -8.684
   36   1HG2  THR  12          3HG2      THR  12   9.151  -0.104  -6.897
   37   2HG2  THR  12          2HG2      THR  12   9.910   0.401  -8.407
   38   3HG2  THR  12          1HG2      THR  12   9.501   1.601  -7.180
   39    H    ALA  13           HN       ALA  13   5.617   3.235  -7.073
   40    HA   ALA  13           HA       ALA  13   3.044   2.555  -8.069
   41   1HB   ALA  13           HB3      ALA  13   4.338   4.913  -6.966
   42   2HB   ALA  13           HB2      ALA  13   3.170   5.293  -8.232
   43   3HB   ALA  13           HB1      ALA  13   2.669   4.360  -6.820
   44    H    ALA  14           HN       ALA  14   5.963   3.339  -9.668
   45    HA   ALA  14           HA       ALA  14   4.821   4.569 -11.966
   46   1HB   ALA  14           HB2      ALA  14   6.922   4.885 -12.573
   47   2HB   ALA  14           HB3      ALA  14   7.277   3.158 -12.532
   48   3HB   ALA  14           HB1      ALA  14   7.397   4.119 -11.057
   49    H    SER  15           HN       SER  15   5.240   1.294 -10.917
   50    HA   SER  15           HA       SER  15   4.740   0.143 -13.516
   51   1HB   SER  15           HB2      SER  15   4.364  -1.450 -11.021
   52   2HB   SER  15           HB1      SER  15   5.151  -1.900 -12.533
   53    HG   SER  15           HG       SER  15   6.816  -0.311 -11.851
   54    H    ALA  16           HN       ALA  16   2.893   1.654 -11.191
   55    HA   ALA  16           HA       ALA  16   0.474   0.096 -11.591
   56   1HB   ALA  16           HB3      ALA  16   0.435   0.797  -9.427
   57   2HB   ALA  16           HB1      ALA  16  -0.367   2.189 -10.154
   58   3HB   ALA  16           HB2      ALA  16   1.352   2.265  -9.771
   59    H    SER  17           HN       SER  17  -1.499   1.945 -11.660
   60    HA   SER  17           HA       SER  17  -1.055   3.262 -14.250
   61   1HB   SER  17           HB2      SER  17  -3.755   2.673 -13.047
   62   2HB   SER  17           HB1      SER  17  -3.348   2.973 -14.737
   63    HG   SER  17           HG       SER  17  -2.056   0.957 -14.519
   64    H    ILE  18           HN       ILE  18  -0.450   5.309 -13.857
   65    HA   ILE  18           HA       ILE  18  -1.545   6.828 -11.662
   66    HB   ILE  18           HB       ILE  18   0.556   7.288 -13.730
   67   1HG1  ILE  18          2HG1      ILE  18   1.793   8.101 -11.712
   68   2HG1  ILE  18          1HG1      ILE  18   0.368   7.693 -10.739
   69   1HG2  ILE  18          3HG2      ILE  18  -1.079   9.430 -12.514
   70   2HG2  ILE  18          2HG2      ILE  18   0.658   9.672 -12.665
   71   3HG2  ILE  18          1HG2      ILE  18  -0.313   9.349 -14.100
   72   1HD1  ILE  18          2HD1      ILE  18   0.658   5.380 -11.809
   73   2HD1  ILE  18          1HD1      ILE  18   2.282   5.958 -12.176
   74   3HD1  ILE  18          3HD1      ILE  18   1.734   5.881 -10.504
   75    H    THR  19           HN       THR  19  -3.721   7.114 -12.017
   76    HA   THR  19           HA       THR  19  -4.618   8.226 -14.558
   77    HB   THR  19           HB       THR  19  -6.199   7.427 -12.105
   78    HG1  THR  19           HG1      THR  19  -6.157   5.492 -12.884
   79   1HG2  THR  19          1HG2      THR  19  -7.002   8.546 -14.715
   80   2HG2  THR  19          3HG2      THR  19  -7.954   7.199 -14.091
   81   3HG2  THR  19          2HG2      THR  19  -7.774   8.669 -13.133
   82    H    ALA  20           HN       ALA  20  -5.028  10.319 -14.882
   83    HA   ALA  20           HA       ALA  20  -4.232  12.356 -13.244
   84   1HB   ALA  20           HB1      ALA  20  -4.659  13.184 -15.303
   85   2HB   ALA  20           HB2      ALA  20  -6.196  13.624 -14.560
   86   3HB   ALA  20           HB3      ALA  20  -6.077  12.163 -15.540
   87    HA   PRO  21           HA       PRO  21  -4.742  14.522 -12.641
   88   1HB   PRO  21           HB2      PRO  21  -4.448  15.648 -10.220
   89   2HB   PRO  21           HB1      PRO  21  -5.851  15.990 -11.243
   90   1HG   PRO  21           HG2      PRO  21  -5.609  14.057  -8.952
   91   2HG   PRO  21           HG1      PRO  21  -6.888  15.248  -9.279
   92   1HD   PRO  21           HD2      PRO  21  -7.155  12.644  -9.914
   93   2HD   PRO  21           HD1      PRO  21  -7.885  13.931 -10.888
   94    H    ALA  22           HN       ALA  22  -4.412  11.647 -11.108
   95    HA   ALA  22           HA       ALA  22  -2.112  11.912  -9.535
   96   1HB   ALA  22           HB2      ALA  22  -3.687   9.861  -9.922
   97   2HB   ALA  22           HB3      ALA  22  -1.986   9.610  -9.520
   98   3HB   ALA  22           HB1      ALA  22  -2.531   9.462 -11.191
   99    H    GLN  23           HN       GLN  23   0.065  11.772  -9.985
  100    HA   GLN  23           HA       GLN  23   0.898  11.582 -12.776
  101   1HB   GLN  23           HB2      GLN  23   2.241  13.622 -12.639
  102   2HB   GLN  23           HB1      GLN  23   0.533  13.969 -12.408
  103   1HG   GLN  23           HG2      GLN  23   1.468  13.549  -9.845
  104   2HG   GLN  23           HG1      GLN  23   2.780  14.420 -10.637
  105   1HE2  GLN  23          1HE2      GLN  23  -0.772  14.528 -10.614
  106   2HE2  GLN  23          2HE2      GLN  23  -0.888  16.238 -10.399
  107    H    LEU  24           HN       LEU  24   2.503  10.187 -12.890
  108    HA   LEU  24           HA       LEU  24   3.971   9.385 -10.561
  109   1HB   LEU  24           HB2      LEU  24   3.220   8.182 -12.901
  110   2HB   LEU  24           HB1      LEU  24   4.911   8.508 -13.204
  111    HG   LEU  24           HG       LEU  24   4.206   6.237 -12.219
  112   1HD1  LEU  24          2HD1      LEU  24   6.457   7.895 -11.106
  113   2HD1  LEU  24          1HD1      LEU  24   6.321   6.150 -10.901
  114   3HD1  LEU  24          3HD1      LEU  24   6.503   6.837 -12.515
  115   1HD2  LEU  24          3HD2      LEU  24   3.008   7.629 -10.300
  116   2HD2  LEU  24          2HD2      LEU  24   3.674   6.019 -10.036
  117   3HD2  LEU  24          1HD2      LEU  24   4.597   7.445  -9.559
  118    H    VAL  25           HN       VAL  25   5.650  10.499  -9.818
  119    HA   VAL  25           HA       VAL  25   7.592  11.577 -11.741
  120    HB   VAL  25           HB       VAL  25   7.921  13.514 -10.112
  121   1HG1  VAL  25          2HG1      VAL  25   5.757  13.116 -12.074
  122   2HG1  VAL  25          1HG1      VAL  25   5.600  14.526 -11.027
  123   3HG1  VAL  25          3HG1      VAL  25   7.040  14.325 -12.025
  124   1HG2  VAL  25          1HG2      VAL  25   6.642  12.577  -8.250
  125   2HG2  VAL  25          3HG2      VAL  25   5.985  14.134  -8.754
  126   3HG2  VAL  25          2HG2      VAL  25   5.172  12.640  -9.222
  127    H    GLY  26           HN       GLY  26   9.494  10.654 -11.371
  128   1HA   GLY  26           HA1      GLY  26  10.748  10.660  -8.831
  129   2HA   GLY  26           HA2      GLY  26  11.327   9.821 -10.263
  130    H    ASN  27           HN       ASN  27   9.024   8.173 -10.637
  131    HA   ASN  27           HA       ASN  27   8.301   6.092 -10.076
  132   1HB   ASN  27           HB2      ASN  27  10.933   6.106  -9.318
  133   2HB   ASN  27           HB1      ASN  27  10.132   5.670  -7.812
  134   1HD2  ASN  27          1HD2      ASN  27  10.487   4.806 -11.198
  135   2HD2  ASN  27          2HD2      ASN  27  10.102   3.133 -11.003
  136    H    VAL  28           HN       VAL  28   7.327   8.527  -8.716
  137    HA   VAL  28           HA       VAL  28   6.087   7.194  -6.410
  138    HB   VAL  28           HB       VAL  28   6.958  10.083  -6.394
  139   1HG1  VAL  28          2HG1      VAL  28   5.333   8.400  -4.625
  140   2HG1  VAL  28          1HG1      VAL  28   6.580   9.341  -3.806
  141   3HG1  VAL  28          3HG1      VAL  28   5.374  10.154  -4.804
  142   1HG2  VAL  28          1HG2      VAL  28   8.409   7.632  -5.715
  143   2HG2  VAL  28          3HG2      VAL  28   9.013   9.255  -6.046
  144   3HG2  VAL  28          2HG2      VAL  28   8.411   8.849  -4.439
  145    H    GLY  29           HN       GLY  29   4.038   6.942  -7.121
  146   1HA   GLY  29           HA1      GLY  29   2.002   7.444  -8.110
  147   2HA   GLY  29           HA2      GLY  29   2.756   8.860  -8.837
  148    H    GLU  30           HN       GLU  30   2.280  10.801  -8.030
  149    HA   GLU  30           HA       GLU  30   1.120  10.923  -5.334
  150   1HB   GLU  30           HB2      GLU  30   1.562  13.509  -5.861
  151   2HB   GLU  30           HB1      GLU  30   2.785  12.454  -5.169
  152   1HG   GLU  30           HG2      GLU  30   3.808  12.141  -7.320
  153   2HG   GLU  30           HG1      GLU  30   2.517  13.047  -8.107
  154    H    LEU  31           HN       LEU  31  -0.980  11.117  -5.171
  155    HA   LEU  31           HA       LEU  31  -2.570  11.862  -7.452
  156   1HB   LEU  31           HB2      LEU  31  -3.451  11.282  -4.621
  157   2HB   LEU  31           HB1      LEU  31  -4.484  11.374  -6.044
  158    HG   LEU  31           HG       LEU  31  -2.296   9.337  -5.623
  159   1HD1  LEU  31          1HD1      LEU  31  -4.870   9.409  -4.505
  160   2HD1  LEU  31          3HD1      LEU  31  -4.940   8.246  -5.829
  161   3HD1  LEU  31          2HD1      LEU  31  -3.746   8.048  -4.543
  162   1HD2  LEU  31          3HD2      LEU  31  -3.516  10.277  -7.955
  163   2HD2  LEU  31          2HD2      LEU  31  -2.496   8.849  -7.776
  164   3HD2  LEU  31          1HD2      LEU  31  -4.252   8.709  -7.624
  165    H    GLN  32           HN       GLN  32  -4.115  13.633  -7.444
  166    HA   GLN  32           HA       GLN  32  -3.619  15.723  -5.450
  167   1HB   GLN  32           HB2      GLN  32  -2.988  15.857  -8.351
  168   2HB   GLN  32           HB1      GLN  32  -3.637  17.303  -7.588
  169   1HG   GLN  32           HG2      GLN  32  -1.818  17.358  -6.022
  170   2HG   GLN  32           HG1      GLN  32  -1.214  15.811  -6.612
  171   1HE2  GLN  32          1HE2      GLN  32  -2.397  18.634  -8.382
  172   2HE2  GLN  32          2HE2      GLN  32  -0.936  18.917  -9.259
  173    H    GLY  33           HN       GLY  33  -5.742  15.310  -4.718
  174   1HA   GLY  33           HA1      GLY  33  -7.759  16.752  -6.231
  175   2HA   GLY  33           HA2      GLY  33  -7.922  16.149  -4.588
  176    H    ALA  34           HN       ALA  34 -10.025  15.341  -5.162
  177    HA   ALA  34           HA       ALA  34 -10.182  12.651  -5.646
  178   1HB   ALA  34           HB2      ALA  34 -12.179  14.853  -6.056
  179   2HB   ALA  34           HB3      ALA  34 -12.124  13.617  -4.800
  180   3HB   ALA  34           HB1      ALA  34 -12.583  13.181  -6.445
  181    H    GLY  35           HN       GLY  35 -10.967  11.433  -7.519
  182   1HA   GLY  35           HA1      GLY  35 -10.490  12.717 -10.114
  183   2HA   GLY  35           HA2      GLY  35 -11.368  11.217  -9.860
  184    H    SER  36           HN       SER  36  -8.390  11.622  -8.155
  185    HA   SER  36           HA       SER  36  -6.764  10.397 -10.200
  186   1HB   SER  36           HB2      SER  36  -5.627  10.433  -7.503
  187   2HB   SER  36           HB1      SER  36  -5.014  11.147  -8.995
  188    HG   SER  36           HG       SER  36  -6.403  12.297  -6.947
  189    H    ALA  37           HN       ALA  37  -5.713   8.352 -10.008
  190    HA   ALA  37           HA       ALA  37  -6.558   6.541  -7.929
  191   1HB   ALA  37           HB3      ALA  37  -7.278   5.748 -10.728
  192   2HB   ALA  37           HB1      ALA  37  -8.415   6.590  -9.675
  193   3HB   ALA  37           HB2      ALA  37  -7.781   5.012  -9.205
  194    H    VAL  38           HN       VAL  38  -4.524   5.995  -7.417
  195    HA   VAL  38           HA       VAL  38  -2.636   5.167  -9.486
  196    HB   VAL  38           HB       VAL  38  -1.726   4.648  -6.774
  197   1HG1  VAL  38          3HG1      VAL  38  -0.564   5.263  -9.110
  198   2HG1  VAL  38          2HG1      VAL  38  -0.555   6.855  -8.337
  199   3HG1  VAL  38          1HG1      VAL  38   0.217   5.475  -7.540
  200   1HG2  VAL  38          1HG2      VAL  38  -3.122   7.195  -7.230
  201   2HG2  VAL  38          3HG2      VAL  38  -2.798   6.331  -5.728
  202   3HG2  VAL  38          2HG2      VAL  38  -1.537   7.315  -6.479
  203    H    ILE  39           HN       ILE  39  -3.678   3.287 -10.229
  204    HA   ILE  39           HA       ILE  39  -4.304   1.211  -8.306
  205    HB   ILE  39           HB       ILE  39  -4.570   1.077 -11.307
  206   1HG1  ILE  39          2HG1      ILE  39  -5.833   2.987 -10.395
  207   2HG1  ILE  39          1HG1      ILE  39  -6.909   1.722 -10.981
  208   1HG2  ILE  39          1HG2      ILE  39  -4.596  -1.064 -10.016
  209   2HG2  ILE  39          3HG2      ILE  39  -6.028  -0.470  -9.175
  210   3HG2  ILE  39          2HG2      ILE  39  -6.074  -0.733 -10.919
  211   1HD1  ILE  39          1HD1      ILE  39  -6.142   1.961  -8.092
  212   2HD1  ILE  39          3HD1      ILE  39  -7.515   2.820  -8.788
  213   3HD1  ILE  39          2HD1      ILE  39  -7.478   1.057  -8.804
  214    H    TRP  40           HN       TRP  40  -3.083  -0.440  -7.815
  215    HA   TRP  40           HA       TRP  40  -0.612  -0.909  -9.319
  216   1HB   TRP  40           HB2      TRP  40  -1.421  -1.110  -6.508
  217   2HB   TRP  40           HB1      TRP  40  -0.495  -2.496  -7.070
  218    HD1  TRP  40           HD1      TRP  40   1.994  -1.875  -8.150
  219    HE1  TRP  40           HE1      TRP  40   3.655  -0.070  -7.382
  220    HE3  TRP  40           HE3      TRP  40  -1.212   1.134  -5.555
  221    HZ2  TRP  40           HZ2      TRP  40   3.611   2.321  -5.869
  222    HZ3  TRP  40           HZ3      TRP  40  -0.329   3.151  -4.474
  223    HH2  TRP  40           HH2      TRP  40   2.031   3.736  -4.626
  224    H    ASN  41           HN       ASN  41  -0.369  -2.700 -10.524
  225    HA   ASN  41           HA       ASN  41  -2.425  -4.794 -10.304
  226   1HB   ASN  41           HB2      ASN  41  -0.532  -4.428 -12.624
  227   2HB   ASN  41           HB1      ASN  41  -2.052  -5.317 -12.588
  228   1HD2  ASN  41          1HD2      ASN  41  -0.578  -2.482 -13.476
  229   2HD2  ASN  41          2HD2      ASN  41  -1.983  -1.499 -13.689
  230    H    VAL  42           HN       VAL  42  -1.778  -6.473  -9.117
  231    HA   VAL  42           HA       VAL  42   0.804  -7.692  -9.693
  232    HB   VAL  42           HB       VAL  42   1.507  -7.825  -7.392
  233   1HG1  VAL  42          2HG1      VAL  42   0.756  -5.014  -8.182
  234   2HG1  VAL  42          1HG1      VAL  42   1.906  -5.428  -6.915
  235   3HG1  VAL  42          3HG1      VAL  42   2.245  -5.866  -8.588
  236   1HG2  VAL  42          3HG2      VAL  42  -1.213  -6.794  -6.871
  237   2HG2  VAL  42          2HG2      VAL  42  -0.230  -7.925  -5.941
  238   3HG2  VAL  42          1HG2      VAL  42   0.069  -6.191  -5.822
  239    H    ASP  43           HN       ASP  43   1.029  -9.847  -8.712
  240    HA   ASP  43           HA       ASP  43  -1.598 -11.138  -8.395
  241   1HB   ASP  43           HB2      ASP  43  -0.625 -13.143  -9.347
  242   2HB   ASP  43           HB1      ASP  43  -0.320 -11.786 -10.426
  243    H    VAL  44           HN       VAL  44  -2.035 -12.024  -6.486
  244    HA   VAL  44           HA       VAL  44  -0.348 -11.888  -4.278
  245    HB   VAL  44           HB       VAL  44  -1.922 -13.706  -3.315
  246   1HG1  VAL  44          2HG1      VAL  44  -2.026 -11.012  -3.375
  247   2HG1  VAL  44          1HG1      VAL  44  -3.570 -11.408  -4.130
  248   3HG1  VAL  44          3HG1      VAL  44  -3.191 -12.024  -2.522
  249   1HG2  VAL  44          2HG2      VAL  44  -2.681 -13.827  -6.023
  250   2HG2  VAL  44          1HG2      VAL  44  -3.410 -14.664  -4.654
  251   3HG2  VAL  44          3HG2      VAL  44  -4.027 -13.090  -5.155
  252    HA   PRO  45           HA       PRO  45   2.498 -15.217  -5.165
  253   1HB   PRO  45           HB2      PRO  45   3.593 -15.330  -2.642
  254   2HB   PRO  45           HB1      PRO  45   4.086 -14.192  -3.898
  255   1HG   PRO  45           HG2      PRO  45   2.245 -13.778  -1.581
  256   2HG   PRO  45           HG1      PRO  45   3.470 -12.686  -2.251
  257   1HD   PRO  45           HD2      PRO  45   0.849 -12.362  -2.760
  258   2HD   PRO  45           HD1      PRO  45   2.092 -11.988  -3.970
  259    H    VAL  46           HN       VAL  46   1.335 -15.455  -1.793
  260    HA   VAL  46           HA       VAL  46   0.390 -18.175  -2.415
  261    HB   VAL  46           HB       VAL  46   1.037 -18.261   0.283
  262   1HG1  VAL  46          1HG1      VAL  46   1.274 -20.034  -1.405
  263   2HG1  VAL  46          3HG1      VAL  46   2.709 -19.221  -2.031
  264   3HG1  VAL  46          2HG1      VAL  46   2.706 -19.866  -0.389
  265   1HG2  VAL  46          2HG2      VAL  46   3.177 -16.766  -1.222
  266   2HG2  VAL  46          1HG2      VAL  46   2.348 -16.271   0.257
  267   3HG2  VAL  46          3HG2      VAL  46   3.463 -17.639   0.283
  268    H    THR  47           HN       THR  47  -0.729 -18.924  -0.111
  269    HA   THR  47           HA       THR  47  -3.003 -17.099   0.132
  270    HB   THR  47           HB       THR  47  -3.299 -19.634   1.509
  271    HG1  THR  47           HG1      THR  47  -2.378 -20.885   0.125
  272   1HG2  THR  47          2HG2      THR  47  -4.941 -17.912   0.176
  273   2HG2  THR  47          1HG2      THR  47  -4.806 -19.262  -0.950
  274   3HG2  THR  47          3HG2      THR  47  -5.366 -19.542   0.698
  275    H    GLY  48           HN       GLY  48  -2.313 -15.591   1.631
  276   1HA   GLY  48           HA1      GLY  48  -0.788 -15.820   3.852
  277   2HA   GLY  48           HA2      GLY  48  -2.326 -16.482   4.384
  278    H    GLU  49           HN       GLU  49  -2.145 -14.641   5.926
  279    HA   GLU  49           HA       GLU  49  -3.760 -12.468   4.979
  280   1HB   GLU  49           HB2      GLU  49  -4.079 -13.418   7.230
  281   2HB   GLU  49           HB1      GLU  49  -2.469 -12.872   7.682
  282   1HG   GLU  49           HG2      GLU  49  -3.102 -10.589   7.555
  283   2HG   GLU  49           HG1      GLU  49  -4.627 -10.999   6.759
  284    H    TYR  50           HN       TYR  50  -2.870 -10.902   3.803
  285    HA   TYR  50           HA       TYR  50  -0.191  -9.951   4.540
  286   1HB   TYR  50           HB2      TYR  50  -1.702  -9.332   1.997
  287   2HB   TYR  50           HB1      TYR  50  -0.002  -9.030   2.329
  288    HD1  TYR  50           HD1      TYR  50  -0.701 -10.378  -0.107
  289    HD2  TYR  50           HD2      TYR  50  -0.152 -12.031   3.769
  290    HE1  TYR  50           HE1      TYR  50  -0.148 -12.546  -1.115
  291    HE2  TYR  50           HE2      TYR  50   0.405 -14.203   2.773
  292    HH   TYR  50           HH       TYR  50  -0.022 -14.827  -0.611
  293    H    ARG  51           HN       ARG  51  -0.075  -8.155   5.673
  294    HA   ARG  51           HA       ARG  51  -2.407  -6.477   5.966
  295   1HB   ARG  51           HB2      ARG  51  -0.905  -5.253   7.605
  296   2HB   ARG  51           HB1      ARG  51  -1.275  -6.935   7.979
  297   1HG   ARG  51           HG2      ARG  51   0.860  -7.608   7.721
  298   2HG   ARG  51           HG1      ARG  51   1.181  -6.466   6.414
  299   1HD   ARG  51           HD2      ARG  51   1.705  -4.750   7.860
  300   2HD   ARG  51           HD1      ARG  51   0.758  -5.434   9.181
  301    HE   ARG  51           HE       ARG  51   2.924  -7.135   8.564
  302   1HH1  ARG  51          1HH1      ARG  51   2.223  -4.063  10.066
  303   2HH1  ARG  51          2HH1      ARG  51   3.599  -4.122  11.116
  304   1HH2  ARG  51          1HH2      ARG  51   4.733  -7.213   9.944
  305   2HH2  ARG  51          2HH2      ARG  51   5.024  -5.910  11.047
  306    H    ILE  52           HN       ILE  52  -2.790  -4.665   4.928
  307    HA   ILE  52           HA       ILE  52  -1.001  -3.740   2.894
  308    HB   ILE  52           HB       ILE  52  -3.654  -2.614   3.804
  309   1HG1  ILE  52          2HG1      ILE  52  -4.197  -4.719   2.983
  310   2HG1  ILE  52          1HG1      ILE  52  -4.307  -3.738   1.525
  311   1HG2  ILE  52          1HG2      ILE  52  -1.840  -1.278   2.311
  312   2HG2  ILE  52          3HG2      ILE  52  -2.715  -2.149   1.055
  313   3HG2  ILE  52          2HG2      ILE  52  -3.585  -1.073   2.148
  314   1HD1  ILE  52          3HD1      ILE  52  -2.068  -4.457   0.876
  315   2HD1  ILE  52          2HD1      ILE  52  -1.973  -5.445   2.340
  316   3HD1  ILE  52          1HD1      ILE  52  -3.164  -5.827   1.094
  317    H    ASN  53           HN       ASN  53   0.560  -2.365   3.145
  318    HA   ASN  53           HA       ASN  53   0.325  -0.251   5.178
  319   1HB   ASN  53           HB2      ASN  53   2.934  -1.409   4.203
  320   2HB   ASN  53           HB1      ASN  53   2.670  -0.361   5.592
  321   1HD2  ASN  53          1HD2      ASN  53   2.457  -3.584   4.346
  322   2HD2  ASN  53          2HD2      ASN  53   2.176  -4.372   5.857
  323    H    LEU  54           HN       LEU  54  -0.122   1.598   4.107
  324    HA   LEU  54           HA       LEU  54   1.027   1.949   1.445
  325   1HB   LEU  54           HB2      LEU  54  -1.409   2.900   2.778
  326   2HB   LEU  54           HB1      LEU  54  -0.601   4.127   1.826
  327    HG   LEU  54           HG       LEU  54  -2.111   1.743   0.953
  328   1HD1  LEU  54          2HD1      LEU  54  -1.509   4.412  -0.308
  329   2HD1  LEU  54          1HD1      LEU  54  -2.630   3.201  -0.936
  330   3HD1  LEU  54          3HD1      LEU  54  -2.957   3.991   0.610
  331   1HD2  LEU  54          1HD2      LEU  54   0.491   2.547  -0.305
  332   2HD2  LEU  54          3HD2      LEU  54  -0.119   0.929   0.049
  333   3HD2  LEU  54          2HD2      LEU  54  -0.816   1.868  -1.271
  334    H    THR  55           HN       THR  55   2.699   3.139   1.106
  335    HA   THR  55           HA       THR  55   3.669   4.911   3.220
  336    HB   THR  55           HB       THR  55   5.210   4.584   0.706
  337    HG1  THR  55           HG1      THR  55   5.362   2.510   0.821
  338   1HG2  THR  55          1HG2      THR  55   5.741   5.098   3.510
  339   2HG2  THR  55          3HG2      THR  55   6.797   3.863   2.825
  340   3HG2  THR  55          2HG2      THR  55   6.712   5.462   2.084
  341    H    TRP  56           HN       TRP  56   3.104   6.979   3.179
  342    HA   TRP  56           HA       TRP  56   3.099   8.412   0.636
  343   1HB   TRP  56           HB2      TRP  56   0.912   9.425   1.076
  344   2HB   TRP  56           HB1      TRP  56   0.778   7.673   0.953
  345    HD1  TRP  56           HD1      TRP  56   0.834   6.403   3.528
  346    HE1  TRP  56           HE1      TRP  56  -0.465   7.146   5.633
  347    HE3  TRP  56           HE3      TRP  56  -0.107  11.255   2.236
  348    HZ2  TRP  56           HZ2      TRP  56  -1.716   9.475   6.605
  349    HZ3  TRP  56           HZ3      TRP  56  -1.366  12.671   3.804
  350    HH2  TRP  56           HH2      TRP  56  -2.156  11.801   5.936
  351    H    SER  57           HN       SER  57   2.834  10.809   0.992
  352    HA   SER  57           HA       SER  57   3.634  11.770   3.626
  353   1HB   SER  57           HB2      SER  57   5.348  12.069   1.152
  354   2HB   SER  57           HB1      SER  57   5.551  13.055   2.599
  355    HG   SER  57           HG       SER  57   6.884  11.086   2.413
  356    H    SER  58           HN       SER  58   1.722  12.930   3.709
  357    HA   SER  58           HA       SER  58   1.564  15.198   1.838
  358   1HB   SER  58           HB2      SER  58  -0.285  13.166   1.944
  359   2HB   SER  58           HB1      SER  58  -0.999  14.381   3.004
  360    HG   SER  58           HG       SER  58  -0.862  15.869   1.318
  361    HA   PRO  59           HA       PRO  59   1.994  16.824   6.138
  362   1HB   PRO  59           HB2      PRO  59   3.212  19.067   4.658
  363   2HB   PRO  59           HB1      PRO  59   3.850  18.141   6.019
  364   1HG   PRO  59           HG2      PRO  59   4.845  17.860   3.544
  365   2HG   PRO  59           HG1      PRO  59   4.720  16.487   4.660
  366   1HD   PRO  59           HD2      PRO  59   2.955  17.222   2.353
  367   2HD   PRO  59           HD1      PRO  59   3.535  15.622   2.864
  368    H    TYR  60           HN       TYR  60  -0.302  17.135   6.205
  369    HA   TYR  60           HA       TYR  60  -1.055  19.901   5.655
  370   1HB   TYR  60           HB2      TYR  60  -1.899  17.800   4.002
  371   2HB   TYR  60           HB1      TYR  60  -3.285  18.169   5.023
  372    HD1  TYR  60           HD1      TYR  60  -3.064  21.061   5.385
  373    HD2  TYR  60           HD2      TYR  60  -2.380  18.695   1.916
  374    HE1  TYR  60           HE1      TYR  60  -3.594  22.999   3.966
  375    HE2  TYR  60           HE2      TYR  60  -2.907  20.626   0.488
  376    HH   TYR  60           HH       TYR  60  -4.518  23.020   1.150
  377    H    SER  61           HN       SER  61  -3.003  17.067   6.576
  378    HA   SER  61           HA       SER  61  -2.992  17.450   9.333
  379   1HB   SER  61           HB2      SER  61  -4.840  19.228   7.846
  380   2HB   SER  61           HB1      SER  61  -5.508  18.421   9.264
  381    HG   SER  61           HG       SER  61  -4.605  20.107  10.197
  382    H    SER  62           HN       SER  62  -5.598  17.007   6.928
  383    HA   SER  62           HA       SER  62  -5.723  14.210   7.253
  384   1HB   SER  62           HB2      SER  62  -6.626  15.044   9.491
  385   2HB   SER  62           HB1      SER  62  -8.024  15.628   8.590
  386    HG   SER  62           HG       SER  62  -7.094  12.947   8.693
  387    H    LYS  63           HN       LYS  63  -6.467  13.513   5.392
  388    HA   LYS  63           HA       LYS  63  -8.415  15.152   3.909
  389   1HB   LYS  63           HB2      LYS  63  -6.111  13.458   3.057
  390   2HB   LYS  63           HB1      LYS  63  -7.498  13.570   1.985
  391   1HG   LYS  63           HG2      LYS  63  -6.113  15.250   1.217
  392   2HG   LYS  63           HG1      LYS  63  -7.233  16.117   2.270
  393   1HD   LYS  63           HD2      LYS  63  -5.323  15.482   4.053
  394   2HD   LYS  63           HD1      LYS  63  -4.343  15.590   2.588
  395   1HE   LYS  63           HE2      LYS  63  -4.265  17.772   3.228
  396   2HE   LYS  63           HE1      LYS  63  -5.748  17.820   2.277
  397   1HZ   LYS  63           HZ1      LYS  63  -6.790  17.204   4.592
  398   2HZ   LYS  63           HZ3      LYS  63  -5.394  17.963   5.176
  399   3HZ   LYS  63           HZ2      LYS  63  -6.463  18.810   4.175
  400    H    VAL  64           HN       VAL  64  -9.770  13.715   2.325
  401    HA   VAL  64           HA       VAL  64 -10.657  11.333   3.845
  402    HB   VAL  64           HB       VAL  64 -12.337  13.166   2.122
  403   1HG1  VAL  64          1HG1      VAL  64 -13.009  10.688   3.688
  404   2HG1  VAL  64          3HG1      VAL  64 -14.225  11.854   3.165
  405   3HG1  VAL  64          2HG1      VAL  64 -13.256  10.993   1.969
  406   1HG2  VAL  64          3HG2      VAL  64 -11.868  12.992   5.063
  407   2HG2  VAL  64          2HG2      VAL  64 -12.029  14.413   4.029
  408   3HG2  VAL  64          1HG2      VAL  64 -13.457  13.475   4.467
  409    H    ASN  65           HN       ASN  65  -9.267   9.950   2.651
  410    HA   ASN  65           HA       ASN  65  -9.890   9.724  -0.219
  411   1HB   ASN  65           HB2      ASN  65  -7.455   8.899   1.362
  412   2HB   ASN  65           HB1      ASN  65  -7.719   8.439  -0.316
  413   1HD2  ASN  65          1HD2      ASN  65  -8.103  11.444   1.549
  414   2HD2  ASN  65          2HD2      ASN  65  -7.174  12.417   0.478
  415    H    THR  66           HN       THR  66  -9.618   7.512  -1.126
  416    HA   THR  66           HA       THR  66 -10.655   5.444   0.696
  417    HB   THR  66           HB       THR  66 -11.494   6.072  -2.140
  418    HG1  THR  66           HG1      THR  66 -13.038   5.663   0.197
  419   1HG2  THR  66          1HG2      THR  66 -12.055   3.574  -0.566
  420   2HG2  THR  66          3HG2      THR  66 -12.983   4.088  -1.975
  421   3HG2  THR  66          2HG2      THR  66 -11.270   3.703  -2.141
  422    H    LEU  67           HN       LEU  67  -9.048   4.048   0.971
  423    HA   LEU  67           HA       LEU  67  -6.983   3.703  -0.997
  424   1HB   LEU  67           HB2      LEU  67  -6.245   3.655   1.220
  425   2HB   LEU  67           HB1      LEU  67  -7.531   2.584   1.723
  426    HG   LEU  67           HG       LEU  67  -6.458   0.718   0.581
  427   1HD1  LEU  67          1HD1      LEU  67  -5.170   2.709  -0.883
  428   2HD1  LEU  67          3HD1      LEU  67  -3.910   1.953   0.092
  429   3HD1  LEU  67          2HD1      LEU  67  -4.901   0.969  -0.979
  430   1HD2  LEU  67          2HD2      LEU  67  -5.581   1.987   2.883
  431   2HD2  LEU  67          1HD2      LEU  67  -5.214   0.334   2.388
  432   3HD2  LEU  67          3HD2      LEU  67  -4.104   1.643   1.986
  433    H    VAL  68           HN       VAL  68  -6.890   2.234  -2.553
  434    HA   VAL  68           HA       VAL  68  -8.980   0.185  -2.671
  435    HB   VAL  68           HB       VAL  68  -7.080   0.971  -4.877
  436   1HG1  VAL  68          1HG1      VAL  68  -9.712  -0.488  -4.826
  437   2HG1  VAL  68          3HG1      VAL  68  -8.945   0.102  -6.301
  438   3HG1  VAL  68          2HG1      VAL  68  -8.138  -1.116  -5.312
  439   1HG2  VAL  68          1HG2      VAL  68  -9.230   2.501  -3.737
  440   2HG2  VAL  68          3HG2      VAL  68  -8.110   2.931  -5.030
  441   3HG2  VAL  68          2HG2      VAL  68  -9.601   2.068  -5.406
  442    H    MET  69           HN       MET  69  -8.324  -1.630  -1.642
  443    HA   MET  69           HA       MET  69  -5.860  -2.880  -2.616
  444   1HB   MET  69           HB2      MET  69  -6.616  -2.845   0.308
  445   2HB   MET  69           HB1      MET  69  -5.162  -3.532  -0.402
  446   1HG   MET  69           HG2      MET  69  -5.824  -0.612  -0.580
  447   2HG   MET  69           HG1      MET  69  -4.917  -1.303   0.765
  448   1HE   MET  69           HE1      MET  69  -3.225   0.165   0.594
  449   2HE   MET  69           HE3      MET  69  -1.734  -0.539  -0.032
  450   3HE   MET  69           HE2      MET  69  -2.512   0.778  -0.901
  451    H    ASP  70           HN       ASP  70  -5.939  -5.064  -2.844
  452    HA   ASP  70           HA       ASP  70  -6.947  -7.038  -3.356
  453   1HB   ASP  70           HB2      ASP  70  -7.848  -8.233  -1.444
  454   2HB   ASP  70           HB1      ASP  70  -6.430  -7.309  -0.958
  455    H    GLY  71           HN       GLY  71  -8.404  -4.897  -4.389
  456   1HA   GLY  71           HA1      GLY  71 -10.860  -6.160  -4.962
  457   2HA   GLY  71           HA2      GLY  71 -10.429  -4.514  -5.402
  458    H    THR  72           HN       THR  72  -9.972  -3.863  -2.506
  459    HA   THR  72           HA       THR  72 -12.806  -3.694  -1.711
  460    HB   THR  72           HB       THR  72 -10.446  -3.633   0.170
  461    HG1  THR  72           HG1      THR  72 -10.537  -5.672  -0.771
  462   1HG2  THR  72          2HG2      THR  72 -13.375  -3.554   0.517
  463   2HG2  THR  72          1HG2      THR  72 -12.457  -4.550   1.647
  464   3HG2  THR  72          3HG2      THR  72 -12.090  -2.832   1.487
  465    H    ALA  73           HN       ALA  73 -13.603  -1.766  -1.038
  466    HA   ALA  73           HA       ALA  73 -11.914   0.568  -1.575
  467   1HB   ALA  73           HB1      ALA  73 -14.762   1.032  -1.085
  468   2HB   ALA  73           HB2      ALA  73 -14.429  -0.037  -2.447
  469   3HB   ALA  73           HB3      ALA  73 -13.732   1.583  -2.406
  470    H    LEU  74           HN       LEU  74 -10.857   0.144   0.542
  471    HA   LEU  74           HA       LEU  74 -12.395   0.571   2.917
  472   1HB   LEU  74           HB2      LEU  74 -10.360   0.306   4.117
  473   2HB   LEU  74           HB1      LEU  74 -10.387  -0.888   2.834
  474    HG   LEU  74           HG       LEU  74  -9.046   1.284   1.713
  475   1HD1  LEU  74          2HD1      LEU  74  -8.638   1.169   4.626
  476   2HD1  LEU  74          1HD1      LEU  74  -7.174   1.243   3.647
  477   3HD1  LEU  74          3HD1      LEU  74  -8.401   2.500   3.494
  478   1HD2  LEU  74          2HD2      LEU  74  -8.195  -1.353   2.851
  479   2HD2  LEU  74          1HD2      LEU  74  -8.328  -0.856   1.164
  480   3HD2  LEU  74          3HD2      LEU  74  -7.013  -0.239   2.164
  481    H    SER  75           HN       SER  75 -13.216   2.514   3.260
  482    HA   SER  75           HA       SER  75 -11.861   4.917   2.415
  483   1HB   SER  75           HB2      SER  75 -14.180   5.055   2.142
  484   2HB   SER  75           HB1      SER  75 -14.504   4.315   3.710
  485    HG   SER  75           HG       SER  75 -14.442   6.866   3.166
  486    H    TYR  76           HN       TYR  76 -10.677   6.250   3.627
  487    HA   TYR  76           HA       TYR  76 -10.901   6.360   6.484
  488   1HB   TYR  76           HB2      TYR  76  -8.728   5.560   7.072
  489   2HB   TYR  76           HB1      TYR  76  -9.479   4.318   6.078
  490    HD1  TYR  76           HD1      TYR  76  -6.446   5.421   6.741
  491    HD2  TYR  76           HD2      TYR  76  -9.021   5.248   3.359
  492    HE1  TYR  76           HE1      TYR  76  -4.487   5.442   5.253
  493    HE2  TYR  76           HE2      TYR  76  -7.073   5.273   1.865
  494    HH   TYR  76           HH       TYR  76  -4.717   4.752   1.910
  495    H    ALA  77           HN       ALA  77  -9.759   8.125   7.397
  496    HA   ALA  77           HA       ALA  77  -9.186  10.199   5.448
  497   1HB   ALA  77           HB2      ALA  77 -10.116  10.119   8.187
  498   2HB   ALA  77           HB1      ALA  77  -8.824  11.299   7.968
  499   3HB   ALA  77           HB3      ALA  77 -10.280  11.391   6.976
  500    H    PHE  78           HN       PHE  78  -7.201  10.576   4.748
  501    HA   PHE  78           HA       PHE  78  -4.901   9.317   5.703
  502   1HB   PHE  78           HB2      PHE  78  -5.509  11.469   3.774
  503   2HB   PHE  78           HB1      PHE  78  -3.875  11.486   4.424
  504    HD1  PHE  78           HD1      PHE  78  -5.289  10.732   1.592
  505    HD2  PHE  78           HD2      PHE  78  -3.312   8.622   4.714
  506    HE1  PHE  78           HE1      PHE  78  -4.646   8.976  -0.007
  507    HE2  PHE  78           HE2      PHE  78  -2.664   6.864   3.121
  508    HZ   PHE  78           HZ       PHE  78  -3.330   7.038   0.758
  509    H    ALA  79           HN       ALA  79  -4.590   9.572   7.888
  510    HA   ALA  79           HA       ALA  79  -4.792  11.877   9.399
  511   1HB   ALA  79           HB2      ALA  79  -3.186  10.776  10.955
  512   2HB   ALA  79           HB3      ALA  79  -2.957   9.515   9.740
  513   3HB   ALA  79           HB1      ALA  79  -4.545   9.761  10.471
  514    H    GLU  80           HN       GLU  80  -3.480  13.559   9.918
  515    HA   GLU  80           HA       GLU  80  -1.815  14.778   8.202
  516   1HB   GLU  80           HB2      GLU  80  -2.597  15.556  10.520
  517   2HB   GLU  80           HB1      GLU  80  -1.145  14.781  11.137
  518   1HG   GLU  80           HG2      GLU  80   0.266  16.263   9.987
  519   2HG   GLU  80           HG1      GLU  80  -1.046  16.844   8.963
  520    H    ALA  81           HN       ALA  81  -0.301  13.709   7.036
  521    HA   ALA  81           HA       ALA  81   1.927  12.516   8.546
  522   1HB   ALA  81           HB1      ALA  81   2.172  10.790   6.886
  523   2HB   ALA  81           HB2      ALA  81   0.855  11.472   5.930
  524   3HB   ALA  81           HB3      ALA  81   0.523  10.766   7.513
  525    H    THR  82           HN       THR  82   3.926  12.334   7.245
  526    HA   THR  82           HA       THR  82   4.288  14.070   4.988
  527    HB   THR  82           HB       THR  82   4.385  15.833   6.533
  528    HG1  THR  82           HG1      THR  82   7.079  14.981   6.394
  529   1HG2  THR  82          1HG2      THR  82   4.875  13.955   8.470
  530   2HG2  THR  82          3HG2      THR  82   6.394  14.848   8.386
  531   3HG2  THR  82          2HG2      THR  82   4.884  15.705   8.696
  532    H    VAL  83           HN       VAL  83   5.880  12.454   7.690
  533    HA   VAL  83           HA       VAL  83   8.195  11.706   6.134
  534    HB   VAL  83           HB       VAL  83   7.391  10.573   8.813
  535   1HG1  VAL  83          3HG1      VAL  83  10.047  10.995   7.460
  536   2HG1  VAL  83          2HG1      VAL  83   9.851  10.461   9.130
  537   3HG1  VAL  83          1HG1      VAL  83   9.252   9.459   7.808
  538   1HG2  VAL  83          3HG2      VAL  83   8.667  13.231   8.220
  539   2HG2  VAL  83          2HG2      VAL  83   7.211  12.903   9.161
  540   3HG2  VAL  83          1HG2      VAL  83   8.792  12.433   9.788
  541    HA   PRO  84           HA       PRO  84   6.778   8.027   4.079
  542   1HB   PRO  84           HB2      PRO  84   9.037   6.807   5.637
  543   2HB   PRO  84           HB1      PRO  84   8.571   6.542   3.952
  544   1HG   PRO  84           HG2      PRO  84  10.579   8.194   4.591
  545   2HG   PRO  84           HG1      PRO  84   9.486   8.540   3.240
  546   1HD   PRO  84           HD2      PRO  84   9.720   9.886   5.845
  547   2HD   PRO  84           HD1      PRO  84   8.990  10.471   4.339
  548    H    VAL  85           HN       VAL  85   4.846   8.079   5.437
  549    HA   VAL  85           HA       VAL  85   4.873   6.314   7.770
  550    HB   VAL  85           HB       VAL  85   2.728   8.153   6.691
  551   1HG1  VAL  85          3HG1      VAL  85   2.427   5.899   8.376
  552   2HG1  VAL  85          2HG1      VAL  85   2.221   7.338   9.373
  553   3HG1  VAL  85          1HG1      VAL  85   1.220   7.109   7.939
  554   1HG2  VAL  85          3HG2      VAL  85   4.961   8.548   8.468
  555   2HG2  VAL  85          2HG2      VAL  85   3.828   9.730   7.810
  556   3HG2  VAL  85          1HG2      VAL  85   3.438   8.869   9.299
  557    H    THR  86           HN       THR  86   4.176   4.279   7.657
  558    HA   THR  86           HA       THR  86   2.854   3.404   5.195
  559    HB   THR  86           HB       THR  86   3.532   1.216   6.917
  560    HG1  THR  86           HG1      THR  86   5.803   1.588   6.965
  561   1HG2  THR  86          2HG2      THR  86   3.455   1.438   4.332
  562   2HG2  THR  86          1HG2      THR  86   5.134   1.947   4.516
  563   3HG2  THR  86          3HG2      THR  86   4.625   0.360   5.094
  564    H    TYR  87           HN       TYR  87   0.709   3.735   5.443
  565    HA   TYR  87           HA       TYR  87  -0.735   3.411   7.841
  566   1HB   TYR  87           HB2      TYR  87  -1.907   4.701   6.336
  567   2HB   TYR  87           HB1      TYR  87  -1.407   3.734   4.954
  568    HD1  TYR  87           HD1      TYR  87  -3.892   4.144   7.600
  569    HD2  TYR  87           HD2      TYR  87  -2.637   1.719   4.337
  570    HE1  TYR  87           HE1      TYR  87  -6.084   3.029   7.592
  571    HE2  TYR  87           HE2      TYR  87  -4.818   0.596   4.318
  572    HH   TYR  87           HH       TYR  87  -7.498   1.755   6.159
  573    H    VAL  88           HN       VAL  88  -0.619   1.499   8.888
  574    HA   VAL  88           HA       VAL  88  -0.555  -1.003   7.479
  575    HB   VAL  88           HB       VAL  88  -0.888  -0.574  10.445
  576   1HG1  VAL  88          3HG1      VAL  88   0.029  -2.932   8.805
  577   2HG1  VAL  88          2HG1      VAL  88   0.177  -2.826  10.559
  578   3HG1  VAL  88          1HG1      VAL  88  -1.419  -2.826   9.807
  579   1HG2  VAL  88          3HG2      VAL  88   1.462  -0.316   8.674
  580   2HG2  VAL  88          2HG2      VAL  88   1.120   0.447  10.227
  581   3HG2  VAL  88          1HG2      VAL  88   1.703  -1.216  10.171
  582    H    GLN  89           HN       GLN  89  -2.215  -2.121   6.796
  583    HA   GLN  89           HA       GLN  89  -4.722  -2.097   8.316
  584   1HB   GLN  89           HB2      GLN  89  -5.150  -0.550   6.519
  585   2HB   GLN  89           HB1      GLN  89  -4.449  -1.644   5.337
  586   1HG   GLN  89           HG2      GLN  89  -6.528  -3.042   6.637
  587   2HG   GLN  89           HG1      GLN  89  -7.146  -1.443   6.227
  588   1HE2  GLN  89          1HE2      GLN  89  -7.877  -4.023   5.125
  589   2HE2  GLN  89          2HE2      GLN  89  -7.565  -3.936   3.428
  590    H    THR  90           HN       THR  90  -4.944  -4.162   8.933
  591    HA   THR  90           HA       THR  90  -3.646  -6.263   7.474
  592    HB   THR  90           HB       THR  90  -4.819  -7.715   9.244
  593    HG1  THR  90           HG1      THR  90  -5.208  -5.236  10.535
  594   1HG2  THR  90          1HG2      THR  90  -2.894  -5.550  10.049
  595   2HG2  THR  90          3HG2      THR  90  -3.327  -6.927  11.065
  596   3HG2  THR  90          2HG2      THR  90  -2.515  -7.191   9.521
  597    H    LYS  91           HN       LYS  91  -4.404  -7.257   5.813
  598    HA   LYS  91           HA       LYS  91  -7.276  -7.827   5.622
  599   1HB   LYS  91           HB2      LYS  91  -6.898  -5.908   4.187
  600   2HB   LYS  91           HB1      LYS  91  -5.527  -6.702   3.427
  601   1HG   LYS  91           HG2      LYS  91  -7.033  -7.186   1.838
  602   2HG   LYS  91           HG1      LYS  91  -7.454  -8.512   2.923
  603   1HD   LYS  91           HD2      LYS  91  -8.955  -6.465   3.928
  604   2HD   LYS  91           HD1      LYS  91  -8.973  -6.113   2.199
  605   1HE   LYS  91           HE2      LYS  91 -10.857  -7.518   2.774
  606   2HE   LYS  91           HE1      LYS  91  -9.726  -8.415   1.761
  607   1HZ   LYS  91           HZ1      LYS  91  -9.482  -8.622   4.678
  608   2HZ   LYS  91           HZ3      LYS  91 -10.719  -9.480   3.905
  609   3HZ   LYS  91           HZ2      LYS  91  -9.104  -9.759   3.484
  610    H    THR  92           HN       THR  92  -7.569  -9.945   5.400
  611    HA   THR  92           HA       THR  92  -5.416 -11.723   5.008
  612    HB   THR  92           HB       THR  92  -8.214 -12.617   4.563
  613    HG1  THR  92           HG1      THR  92  -8.577 -12.486   6.824
  614   1HG2  THR  92          3HG2      THR  92  -5.870 -13.639   6.128
  615   2HG2  THR  92          2HG2      THR  92  -7.492 -14.320   6.273
  616   3HG2  THR  92          1HG2      THR  92  -6.649 -14.371   4.724
  617    H    LEU  93           HN       LEU  93  -4.387 -11.952   3.139
  618    HA   LEU  93           HA       LEU  93  -5.837 -11.625   0.632
  619   1HB   LEU  93           HB2      LEU  93  -3.011 -11.464   1.481
  620   2HB   LEU  93           HB1      LEU  93  -3.273 -12.133  -0.114
  621    HG   LEU  93           HG       LEU  93  -3.487  -9.352   0.825
  622   1HD1  LEU  93          3HD1      LEU  93  -2.260 -10.832  -1.242
  623   2HD1  LEU  93          2HD1      LEU  93  -3.339  -9.659  -1.995
  624   3HD1  LEU  93          1HD1      LEU  93  -2.098  -9.116  -0.867
  625   1HD2  LEU  93          1HD2      LEU  93  -5.576 -10.539  -0.993
  626   2HD2  LEU  93          3HD2      LEU  93  -5.819  -9.574   0.464
  627   3HD2  LEU  93          2HD2      LEU  93  -5.166  -8.823  -0.991
  628    H    SER  94           HN       SER  94  -6.012 -13.193  -0.929
  629    HA   SER  94           HA       SER  94  -5.327 -15.896  -0.073
  630   1HB   SER  94           HB2      SER  94  -7.638 -14.926  -1.749
  631   2HB   SER  94           HB1      SER  94  -7.208 -16.629  -1.587
  632    HG   SER  94           HG       SER  94  -7.958 -16.644   0.400
  633    H    ALA  95           HN       ALA  95  -4.955 -17.453  -1.861
  634    HA   ALA  95           HA       ALA  95  -2.981 -16.422  -3.644
  635   1HB   ALA  95           HB3      ALA  95  -4.035 -19.070  -2.902
  636   2HB   ALA  95           HB1      ALA  95  -2.370 -18.530  -3.125
  637   3HB   ALA  95           HB2      ALA  95  -3.360 -18.940  -4.527
  638    H    GLY  96           HN       GLY  96  -3.009 -16.377  -5.913
  639   1HA   GLY  96           HA1      GLY  96  -5.726 -16.308  -7.073
  640   2HA   GLY  96           HA2      GLY  96  -4.369 -17.016  -7.935
  641    H    ASN  97           HN       ASN  97  -6.206 -14.267  -7.540
  642    HA   ASN  97           HA       ASN  97  -4.077 -12.441  -8.369
  643   1HB   ASN  97           HB2      ASN  97  -5.015 -13.386 -10.445
  644   2HB   ASN  97           HB1      ASN  97  -6.621 -12.855  -9.955
  645   1HD2  ASN  97          1HD2      ASN  97  -3.435 -11.800 -10.937
  646   2HD2  ASN  97          2HD2      ASN  97  -3.906 -10.217 -11.444
  647    H    HIS  98           HN       HIS  98  -4.278 -10.489  -7.475
  648    HA   HIS  98           HA       HIS  98  -6.924  -9.627  -6.531
  649   1HB   HIS  98           HB2      HIS  98  -4.375  -9.810  -4.950
  650   2HB   HIS  98           HB1      HIS  98  -5.612  -8.634  -4.522
  651    HD1  HIS  98           HD1      HIS  98  -6.887  -9.506  -2.603
  652    HD2  HIS  98           HD2      HIS  98  -5.940 -12.514  -5.308
  653    HE1  HIS  98           HE1      HIS  98  -7.951 -11.592  -1.687
  654    HE2  HIS  98           HE2      HIS  98  -7.300 -13.414  -3.301
  655    H    SER  99           HN       SER  99  -7.228  -7.370  -6.412
  656    HA   SER  99           HA       SER  99  -5.314  -5.849  -8.045
  657   1HB   SER  99           HB2      SER  99  -7.103  -4.471  -8.747
  658   2HB   SER  99           HB1      SER  99  -7.767  -6.105  -8.756
  659    HG   SER  99           HG       SER  99  -9.149  -5.504  -7.302
  660    H    PHE 100           HN       PHE 100  -4.255  -4.159  -7.231
  661    HA   PHE 100           HA       PHE 100  -5.064  -3.131  -4.589
  662   1HB   PHE 100           HB2      PHE 100  -2.330  -3.839  -5.636
  663   2HB   PHE 100           HB1      PHE 100  -2.536  -2.711  -4.301
  664    HD1  PHE 100           HD1      PHE 100  -2.158  -6.103  -5.197
  665    HD2  PHE 100           HD2      PHE 100  -3.979  -3.555  -2.322
  666    HE1  PHE 100           HE1      PHE 100  -2.306  -7.991  -3.619
  667    HE2  PHE 100           HE2      PHE 100  -4.125  -5.425  -0.739
  668    HZ   PHE 100           HZ       PHE 100  -3.291  -7.642  -1.386
  669    H    GLY 101           HN       GLY 101  -4.062  -0.885  -4.157
  670   1HA   GLY 101           HA1      GLY 101  -4.602   0.718  -6.522
  671   2HA   GLY 101           HA2      GLY 101  -2.986   0.858  -5.861
  672    H    VAL 102           HN       VAL 102  -4.590   3.029  -6.105
  673    HA   VAL 102           HA       VAL 102  -5.831   3.585  -3.532
  674    HB   VAL 102           HB       VAL 102  -3.982   5.756  -4.257
  675   1HG1  VAL 102          2HG1      VAL 102  -5.458   5.093  -2.102
  676   2HG1  VAL 102          1HG1      VAL 102  -3.884   4.450  -1.619
  677   3HG1  VAL 102          3HG1      VAL 102  -4.050   6.158  -2.044
  678   1HG2  VAL 102          3HG2      VAL 102  -2.550   3.819  -4.816
  679   2HG2  VAL 102          2HG2      VAL 102  -1.968   4.735  -3.422
  680   3HG2  VAL 102          1HG2      VAL 102  -2.800   3.195  -3.182
  681    H    ARG 103           HN       ARG 103  -7.657   4.692  -3.929
  682    HA   ARG 103           HA       ARG 103  -7.746   6.324  -6.384
  683   1HB   ARG 103           HB2      ARG 103  -9.113   4.511  -6.889
  684   2HB   ARG 103           HB1      ARG 103  -9.731   4.390  -5.250
  685   1HG   ARG 103           HG2      ARG 103 -11.453   5.175  -6.758
  686   2HG   ARG 103           HG1      ARG 103 -11.038   6.432  -5.593
  687   1HD   ARG 103           HD2      ARG 103 -10.744   7.811  -7.313
  688   2HD   ARG 103           HD1      ARG 103  -9.327   6.857  -7.750
  689    HE   ARG 103           HE       ARG 103 -11.342   5.482  -8.894
  690   1HH1  ARG 103          1HH1      ARG 103 -10.439   8.853  -8.976
  691   2HH1  ARG 103          2HH1      ARG 103 -11.066   9.110 -10.569
  692   1HH2  ARG 103          1HH2      ARG 103 -12.167   5.819 -10.989
  693   2HH2  ARG 103          2HH2      ARG 103 -12.047   7.389 -11.713
  694    H    VAL 104           HN       VAL 104  -8.772   8.244  -6.376
  695    HA   VAL 104           HA       VAL 104  -9.874   9.210  -3.828
  696    HB   VAL 104           HB       VAL 104  -8.829  11.457  -5.254
  697   1HG1  VAL 104          1HG1      VAL 104  -8.115  10.135  -2.660
  698   2HG1  VAL 104          3HG1      VAL 104  -7.490  11.701  -3.183
  699   3HG1  VAL 104          2HG1      VAL 104  -9.222  11.479  -2.942
  700   1HG2  VAL 104          3HG2      VAL 104  -6.852   9.199  -4.916
  701   2HG2  VAL 104          2HG2      VAL 104  -7.220  10.102  -6.385
  702   3HG2  VAL 104          1HG2      VAL 104  -6.377  10.892  -5.053
  703    H    GLY 105           HN       GLY 105 -11.832  10.176  -4.007
  704   1HA   GLY 105           HA1      GLY 105 -13.604   9.867  -5.943
  705   2HA   GLY 105           HA2      GLY 105 -12.687  11.210  -6.604
  706    H    SER 106           HN       SER 106 -15.269  11.681  -6.260
  707    HA   SER 106           HA       SER 106 -15.356  13.909  -4.586
  708   1HB   SER 106           HB2      SER 106 -17.256  12.421  -6.251
  709   2HB   SER 106           HB1      SER 106 -18.010  13.195  -4.857
  710    HG   SER 106           HG       SER 106 -18.002  14.756  -6.361
  711    H    SER 107           HN       SER 107 -16.426  10.587  -4.056
  712    HA   SER 107           HA       SER 107 -17.593  11.070  -1.502
  713   1HB   SER 107           HB2      SER 107 -17.994   9.077  -3.093
  714   2HB   SER 107           HB1      SER 107 -16.512   8.407  -2.411
  715    HG   SER 107           HG       SER 107 -18.978   8.395  -1.382
  716    H    ASP 108           HN       ASP 108 -14.389  10.371  -2.644
  717    HA   ASP 108           HA       ASP 108 -13.338  10.843   0.003
  718   1HB   ASP 108           HB2      ASP 108 -13.281   8.227  -1.326
  719   2HB   ASP 108           HB1      ASP 108 -11.705   8.780  -0.767
  720    H    TRP 109           HN       TRP 109 -12.630  12.778  -0.883
  721    HA   TRP 109           HA       TRP 109 -10.833  12.767  -3.149
  722   1HB   TRP 109           HB2      TRP 109 -11.045  15.077  -3.142
  723   2HB   TRP 109           HB1      TRP 109 -12.605  14.547  -2.526
  724    HD1  TRP 109           HD1      TRP 109 -13.301  15.408  -0.160
  725    HE1  TRP 109           HE1      TRP 109 -12.174  16.925   1.589
  726    HE3  TRP 109           HE3      TRP 109  -8.642  15.633  -2.213
  727    HZ2  TRP 109           HZ2      TRP 109  -9.625  18.082   2.027
  728    HZ3  TRP 109           HZ3      TRP 109  -6.910  16.973  -1.075
  729    HH2  TRP 109           HH2      TRP 109  -7.392  18.167   1.002
  730    H    GLY 110           HN       GLY 110  -8.688  13.716  -3.080
  731   1HA   GLY 110           HA1      GLY 110  -6.892  12.596  -1.436
  732   2HA   GLY 110           HA2      GLY 110  -7.434  13.961  -0.479
  733    H    TYR 111           HN       TYR 111  -4.874  13.821  -0.992
  734    HA   TYR 111           HA       TYR 111  -3.887  15.002  -3.343
  735   1HB   TYR 111           HB2      TYR 111  -5.066  16.836  -1.405
  736   2HB   TYR 111           HB1      TYR 111  -3.362  17.178  -1.664
  737    HD1  TYR 111           HD1      TYR 111  -2.562  17.637  -4.013
  738    HD2  TYR 111           HD2      TYR 111  -6.690  17.459  -2.999
  739    HE1  TYR 111           HE1      TYR 111  -3.116  18.860  -6.074
  740    HE2  TYR 111           HE2      TYR 111  -7.255  18.677  -5.058
  741    HH   TYR 111           HH       TYR 111  -5.529  20.470  -6.666
  742    H    MET 112           HN       MET 112  -2.510  13.184  -2.712
  743    HA   MET 112           HA       MET 112  -0.359  14.059  -0.928
  744   1HB   MET 112           HB2      MET 112  -0.338  11.884   0.240
  745   2HB   MET 112           HB1      MET 112  -1.828  12.774   0.524
  746   1HG   MET 112           HG2      MET 112  -2.789  10.798   0.074
  747   2HG   MET 112           HG1      MET 112  -2.568  11.298  -1.601
  748   1HE   MET 112           HE3      MET 112  -2.736   8.905  -2.520
  749   2HE   MET 112           HE2      MET 112  -1.746   7.534  -2.011
  750   3HE   MET 112           HE1      MET 112  -2.978   8.187  -0.927
  751    H    ASN 113           HN       ASN 113   1.286  12.057  -0.858
  752    HA   ASN 113           HA       ASN 113   1.825  11.415  -3.674
  753   1HB   ASN 113           HB2      ASN 113   3.816  11.413  -1.402
  754   2HB   ASN 113           HB1      ASN 113   4.158  11.352  -3.129
  755   1HD2  ASN 113          1HD2      ASN 113   4.553  13.270  -0.673
  756   2HD2  ASN 113          2HD2      ASN 113   4.272  14.821  -1.380
  757    H    VAL 114           HN       VAL 114   1.903   9.349  -4.291
  758    HA   VAL 114           HA       VAL 114   1.586   7.286  -2.223
  759    HB   VAL 114           HB       VAL 114   1.106   6.839  -5.161
  760   1HG1  VAL 114          3HG1      VAL 114   1.248   4.990  -3.373
  761   2HG1  VAL 114          2HG1      VAL 114  -0.349   5.564  -2.890
  762   3HG1  VAL 114          1HG1      VAL 114  -0.083   4.973  -4.532
  763   1HG2  VAL 114          2HG2      VAL 114  -0.462   8.499  -3.355
  764   2HG2  VAL 114          1HG2      VAL 114  -0.554   8.338  -5.106
  765   3HG2  VAL 114          3HG2      VAL 114  -1.405   7.187  -4.071
  766    H    HIS 115           HN       HIS 115   3.804   7.164  -1.726
  767    HA   HIS 115           HA       HIS 115   5.912   6.875  -3.491
  768   1HB   HIS 115           HB2      HIS 115   5.465   5.937  -0.677
  769   2HB   HIS 115           HB1      HIS 115   6.943   5.503  -1.530
  770    HD1  HIS 115           HD1      HIS 115   5.169   8.853  -1.628
  771    HD2  HIS 115           HD2      HIS 115   8.731   7.165  -0.316
  772    HE1  HIS 115           HE1      HIS 115   6.588  10.785  -0.869
  773    HE2  HIS 115           HE2      HIS 115   8.705   9.731   0.003
  774    H    SER 116           HN       SER 116   4.454   4.152  -1.696
  775    HA   SER 116           HA       SER 116   4.265   2.541  -4.045
  776   1HB   SER 116           HB2      SER 116   5.900   0.801  -2.807
  777   2HB   SER 116           HB1      SER 116   6.465   1.949  -4.019
  778    HG   SER 116           HG       SER 116   6.473   2.392  -1.215
  779    H    LEU 117           HN       LEU 117   3.155   0.632  -3.735
  780    HA   LEU 117           HA       LEU 117   1.566   0.518  -1.314
  781   1HB   LEU 117           HB2      LEU 117   1.008   0.059  -3.926
  782   2HB   LEU 117           HB1      LEU 117   1.302  -1.579  -3.383
  783    HG   LEU 117           HG       LEU 117  -0.579   0.073  -1.765
  784   1HD1  LEU 117          2HD1      LEU 117  -1.005  -0.707  -4.595
  785   2HD1  LEU 117          1HD1      LEU 117  -2.341  -0.905  -3.465
  786   3HD1  LEU 117          3HD1      LEU 117  -1.612   0.685  -3.695
  787   1HD2  LEU 117          2HD2      LEU 117   0.157  -2.696  -2.122
  788   2HD2  LEU 117          1HD2      LEU 117  -0.828  -1.962  -0.859
  789   3HD2  LEU 117          3HD2      LEU 117  -1.574  -2.483  -2.369
  790    H    LYS 118           HN       LYS 118   2.882  -0.254   0.317
  791    HA   LYS 118           HA       LYS 118   4.566  -2.546  -0.093
  792   1HB   LYS 118           HB2      LYS 118   4.603  -0.452   1.669
  793   2HB   LYS 118           HB1      LYS 118   4.026  -1.768   2.681
  794   1HG   LYS 118           HG2      LYS 118   5.980  -2.956   2.496
  795   2HG   LYS 118           HG1      LYS 118   6.414  -2.207   0.958
  796   1HD   LYS 118           HD2      LYS 118   7.492  -0.514   1.958
  797   2HD   LYS 118           HD1      LYS 118   6.230  -0.310   3.175
  798   1HE   LYS 118           HE2      LYS 118   8.114  -0.960   4.398
  799   2HE   LYS 118           HE1      LYS 118   7.166  -2.437   4.240
  800   1HZ   LYS 118           HZ1      LYS 118   8.647  -2.780   2.153
  801   2HZ   LYS 118           HZ3      LYS 118   9.696  -1.707   2.936
  802   3HZ   LYS 118           HZ2      LYS 118   9.254  -3.158   3.685
  803    H    LEU 119           HN       LEU 119   4.207  -4.613   0.394
  804    HA   LEU 119           HA       LEU 119   1.701  -5.311   1.779
  805   1HB   LEU 119           HB2      LEU 119   2.450  -5.905  -0.887
  806   2HB   LEU 119           HB1      LEU 119   2.549  -7.409   0.009
  807    HG   LEU 119           HG       LEU 119   0.096  -6.076   0.690
  808   1HD1  LEU 119          1HD1      LEU 119   0.539  -5.030  -1.584
  809   2HD1  LEU 119          3HD1      LEU 119   0.302  -6.646  -2.250
  810   3HD1  LEU 119          2HD1      LEU 119  -1.005  -5.855  -1.368
  811   1HD2  LEU 119          3HD2      LEU 119   0.862  -8.581   0.622
  812   2HD2  LEU 119          2HD2      LEU 119  -0.828  -8.154   0.338
  813   3HD2  LEU 119          1HD2      LEU 119   0.236  -8.512  -1.025
  814    H    GLU 120           HN       GLU 120   2.330  -6.038   3.722
  815    HA   GLU 120           HA       GLU 120   4.764  -7.656   3.919
  816   1HB   GLU 120           HB2      GLU 120   3.980  -5.588   5.452
  817   2HB   GLU 120           HB1      GLU 120   3.257  -6.908   6.360
  818   1HG   GLU 120           HG2      GLU 120   5.259  -7.749   7.007
  819   2HG   GLU 120           HG1      GLU 120   6.081  -7.222   5.540
  820    H    LEU 121           HN       LEU 121   4.782  -9.635   5.081
  821    HA   LEU 121           HA       LEU 121   2.340 -11.168   4.724
  822   1HB   LEU 121           HB2      LEU 121   4.996 -11.765   4.374
  823   2HB   LEU 121           HB1      LEU 121   4.661 -12.510   5.926
  824    HG   LEU 121           HG       LEU 121   4.367 -14.165   4.227
  825   1HD1  LEU 121          1HD1      LEU 121   1.767 -13.132   5.332
  826   2HD1  LEU 121          3HD1      LEU 121   1.908 -14.662   4.468
  827   3HD1  LEU 121          2HD1      LEU 121   2.791 -14.416   5.975
  828   1HD2  LEU 121          3HD2      LEU 121   3.974 -12.443   2.407
  829   2HD2  LEU 121          2HD2      LEU 121   3.027 -13.928   2.302
  830   3HD2  LEU 121          1HD2      LEU 121   2.287 -12.445   2.909
  831    H    LEU 122           HN       LEU 122   1.005 -10.433   6.296
  832    HA   LEU 122           HA       LEU 122   1.669 -10.118   8.997
  833   1HB   LEU 122           HB2      LEU 122  -0.445  -9.431   7.577
  834   2HB   LEU 122           HB1      LEU 122  -1.074 -10.955   8.173
  835    HG   LEU 122           HG       LEU 122  -0.617  -8.411   9.598
  836   1HD1  LEU 122          1HD1      LEU 122  -2.838  -9.293   9.022
  837   2HD1  LEU 122          3HD1      LEU 122  -2.519 -10.703  10.031
  838   3HD1  LEU 122          2HD1      LEU 122  -2.616  -9.100  10.761
  839   1HD2  LEU 122          1HD2      LEU 122  -0.155 -11.087  10.908
  840   2HD2  LEU 122          3HD2      LEU 122   1.018  -9.782  10.731
  841   3HD2  LEU 122          2HD2      LEU 122  -0.391  -9.566  11.770
  842    H    GLY 123           HN       GLY 123  -0.323 -12.705   7.571
  843   1HA   GLY 123           HA1      GLY 123  -0.697 -14.458   9.506
  844   2HA   GLY 123           HA2      GLY 123   1.033 -14.661   9.271

  No H/Q in entry =         844
  Start of MODEL    2
    1    H    SER   8           HN       SER   8   8.693  -9.618   2.839
    2    HA   SER   8           HA       SER   8   6.633  -7.599   2.374
    3   1HB   SER   8           HB2      SER   8   7.527  -6.403   4.163
    4   2HB   SER   8           HB1      SER   8   7.845  -8.068   4.648
    5    HG   SER   8           HG       SER   8   9.860  -7.521   4.711
    6    H    TRP   9           HN       TRP   9   6.797  -6.312   0.648
    7    HA   TRP   9           HA       TRP   9   9.347  -5.158  -0.061
    8   1HB   TRP   9           HB2      TRP   9   9.580  -6.035  -2.233
    9   2HB   TRP   9           HB1      TRP   9   9.221  -7.427  -1.218
   10    HD1  TRP   9           HD1      TRP   9   7.743  -5.298  -4.018
   11    HE1  TRP   9           HE1      TRP   9   5.723  -6.538  -5.019
   12    HE3  TRP   9           HE3      TRP   9   7.364  -9.106  -0.630
   13    HZ2  TRP   9           HZ2      TRP   9   4.179  -8.830  -4.452
   14    HZ3  TRP   9           HZ3      TRP   9   5.595 -10.784  -0.933
   15    HH2  TRP   9           HH2      TRP   9   4.037 -10.653  -2.816
   16    H    THR  10           HN       THR  10   9.223  -3.402  -1.489
   17    HA   THR  10           HA       THR  10   6.562  -2.185  -1.600
   18    HB   THR  10           HB       THR  10   8.934  -0.623  -2.435
   19    HG1  THR  10           HG1      THR  10   8.558  -1.305   0.293
   20   1HG2  THR  10          3HG2      THR  10   6.352  -0.080  -1.449
   21   2HG2  THR  10          2HG2      THR  10   7.516   0.527  -0.270
   22   3HG2  THR  10          1HG2      THR  10   7.609   1.052  -1.954
   23    H    TYR  11           HN       TYR  11   5.683  -1.368  -3.469
   24    HA   TYR  11           HA       TYR  11   7.051  -2.068  -5.979
   25   1HB   TYR  11           HB2      TYR  11   4.263  -1.942  -6.490
   26   2HB   TYR  11           HB1      TYR  11   5.314  -3.348  -6.586
   27    HD1  TYR  11           HD1      TYR  11   5.896  -4.217  -4.012
   28    HD2  TYR  11           HD2      TYR  11   2.314  -2.331  -5.328
   29    HE1  TYR  11           HE1      TYR  11   4.663  -5.275  -2.168
   30    HE2  TYR  11           HE2      TYR  11   1.082  -3.392  -3.498
   31    HH   TYR  11           HH       TYR  11   1.617  -4.296  -1.216
   32    H    THR  12           HN       THR  12   7.820  -0.129  -6.586
   33    HA   THR  12           HA       THR  12   6.870   2.354  -5.993
   34    HB   THR  12           HB       THR  12   7.983   3.100  -8.148
   35    HG1  THR  12           HG1      THR  12   7.560   0.991  -9.178
   36   1HG2  THR  12          3HG2      THR  12   9.136   1.983  -5.813
   37   2HG2  THR  12          2HG2      THR  12  10.120   1.511  -7.201
   38   3HG2  THR  12          1HG2      THR  12   9.793   3.216  -6.892
   39    H    ALA  13           HN       ALA  13   5.445   3.830  -6.901
   40    HA   ALA  13           HA       ALA  13   3.106   2.737  -8.052
   41   1HB   ALA  13           HB3      ALA  13   3.966   5.569  -7.545
   42   2HB   ALA  13           HB2      ALA  13   2.389   5.144  -8.213
   43   3HB   ALA  13           HB1      ALA  13   2.846   4.580  -6.607
   44    H    ALA  14           HN       ALA  14   5.994   3.607  -9.550
   45    HA   ALA  14           HA       ALA  14   4.938   4.692 -11.959
   46   1HB   ALA  14           HB2      ALA  14   7.092   5.223 -12.035
   47   2HB   ALA  14           HB1      ALA  14   7.556   3.900 -10.965
   48   3HB   ALA  14           HB3      ALA  14   7.335   3.602 -12.690
   49    H    SER  15           HN       SER  15   5.437   1.479 -10.749
   50    HA   SER  15           HA       SER  15   4.990   0.229 -13.322
   51   1HB   SER  15           HB2      SER  15   6.249  -0.603 -11.032
   52   2HB   SER  15           HB1      SER  15   4.700  -1.439 -10.911
   53    HG   SER  15           HG       SER  15   6.717  -1.683 -12.843
   54    H    ALA  16           HN       ALA  16   3.072   1.803 -11.179
   55    HA   ALA  16           HA       ALA  16   0.752   0.048 -11.437
   56   1HB   ALA  16           HB3      ALA  16   1.674   1.870  -9.462
   57   2HB   ALA  16           HB2      ALA  16   0.126   2.461 -10.065
   58   3HB   ALA  16           HB1      ALA  16   0.253   0.827  -9.413
   59    H    SER  17           HN       SER  17  -1.262   1.974 -11.373
   60    HA   SER  17           HA       SER  17  -0.991   3.181 -14.044
   61   1HB   SER  17           HB2      SER  17  -3.317   2.852 -14.388
   62   2HB   SER  17           HB1      SER  17  -2.737   1.351 -13.667
   63    HG   SER  17           HG       SER  17  -4.203   3.440 -12.452
   64    H    ILE  18           HN       ILE  18  -0.413   5.246 -13.733
   65    HA   ILE  18           HA       ILE  18  -1.537   6.797 -11.551
   66    HB   ILE  18           HB       ILE  18   0.671   7.213 -13.523
   67   1HG1  ILE  18          2HG1      ILE  18   1.792   8.007 -11.381
   68   2HG1  ILE  18          1HG1      ILE  18   0.346   7.432 -10.533
   69   1HG2  ILE  18          2HG2      ILE  18  -0.967   9.368 -12.347
   70   2HG2  ILE  18          1HG2      ILE  18   0.784   9.567 -12.354
   71   3HG2  ILE  18          3HG2      ILE  18  -0.079   9.314 -13.869
   72   1HD1  ILE  18          1HD1      ILE  18   0.901   5.278 -11.956
   73   2HD1  ILE  18          3HD1      ILE  18   2.514   5.971 -11.857
   74   3HD1  ILE  18          2HD1      ILE  18   1.625   5.595 -10.381
   75    H    THR  19           HN       THR  19  -3.697   7.031 -12.078
   76    HA   THR  19           HA       THR  19  -4.416   8.204 -14.644
   77    HB   THR  19           HB       THR  19  -6.202   7.444 -12.326
   78    HG1  THR  19           HG1      THR  19  -5.428   5.545 -12.951
   79   1HG2  THR  19          2HG2      THR  19  -6.727   8.464 -15.033
   80   2HG2  THR  19          1HG2      THR  19  -7.707   7.092 -14.515
   81   3HG2  THR  19          3HG2      THR  19  -7.694   8.577 -13.563
   82    H    ALA  20           HN       ALA  20  -5.011  10.282 -14.952
   83    HA   ALA  20           HA       ALA  20  -4.214  12.318 -13.304
   84   1HB   ALA  20           HB2      ALA  20  -4.709  12.937 -15.488
   85   2HB   ALA  20           HB3      ALA  20  -6.000  13.694 -14.555
   86   3HB   ALA  20           HB1      ALA  20  -6.310  12.200 -15.439
   87    HA   PRO  21           HA       PRO  21  -4.684  14.393 -12.663
   88   1HB   PRO  21           HB2      PRO  21  -4.446  15.610 -10.309
   89   2HB   PRO  21           HB1      PRO  21  -5.882  15.853 -11.309
   90   1HG   PRO  21           HG2      PRO  21  -5.510  13.980  -8.977
   91   2HG   PRO  21           HG1      PRO  21  -6.828  15.137  -9.279
   92   1HD   PRO  21           HD2      PRO  21  -7.045  12.510  -9.887
   93   2HD   PRO  21           HD1      PRO  21  -7.840  13.772 -10.844
   94    H    ALA  22           HN       ALA  22  -4.362  11.551 -11.099
   95    HA   ALA  22           HA       ALA  22  -2.123  11.848  -9.445
   96   1HB   ALA  22           HB2      ALA  22  -3.645   9.781  -9.845
   97   2HB   ALA  22           HB3      ALA  22  -1.944   9.542  -9.443
   98   3HB   ALA  22           HB1      ALA  22  -2.485   9.392 -11.114
   99    H    GLN  23           HN       GLN  23   0.077  11.724  -9.812
  100    HA   GLN  23           HA       GLN  23   1.026  11.490 -12.556
  101   1HB   GLN  23           HB2      GLN  23   1.380  13.961 -10.869
  102   2HB   GLN  23           HB1      GLN  23   2.399  13.598 -12.254
  103   1HG   GLN  23           HG2      GLN  23   0.635  13.843 -13.764
  104   2HG   GLN  23           HG1      GLN  23  -0.583  13.718 -12.496
  105   1HE2  GLN  23          1HE2      GLN  23  -0.772  15.483 -10.998
  106   2HE2  GLN  23          2HE2      GLN  23  -0.355  17.084 -11.497
  107    H    LEU  24           HN       LEU  24   2.664  10.135 -12.532
  108    HA   LEU  24           HA       LEU  24   4.132   9.555 -10.125
  109   1HB   LEU  24           HB2      LEU  24   3.505   8.227 -12.506
  110   2HB   LEU  24           HB1      LEU  24   5.238   8.458 -12.571
  111    HG   LEU  24           HG       LEU  24   4.290   6.291 -11.576
  112   1HD1  LEU  24          3HD1      LEU  24   6.667   7.171 -11.517
  113   2HD1  LEU  24          2HD1      LEU  24   6.309   7.714  -9.877
  114   3HD1  LEU  24          1HD1      LEU  24   6.222   5.998 -10.277
  115   1HD2  LEU  24          1HD2      LEU  24   2.969   7.989  -9.893
  116   2HD2  LEU  24          3HD2      LEU  24   3.245   6.270  -9.615
  117   3HD2  LEU  24          2HD2      LEU  24   4.340   7.461  -8.918
  118    H    VAL  25           HN       VAL  25   5.562  11.090  -9.498
  119    HA   VAL  25           HA       VAL  25   7.412  12.144 -11.539
  120    HB   VAL  25           HB       VAL  25   7.746  14.094 -10.059
  121   1HG1  VAL  25          2HG1      VAL  25   5.756  13.673 -11.832
  122   2HG1  VAL  25          1HG1      VAL  25   4.821  14.090 -10.397
  123   3HG1  VAL  25          3HG1      VAL  25   6.036  15.210 -11.013
  124   1HG2  VAL  25          3HG2      VAL  25   5.586  12.774  -8.426
  125   2HG2  VAL  25          2HG2      VAL  25   7.221  13.189  -7.914
  126   3HG2  VAL  25          1HG2      VAL  25   6.052  14.465  -8.250
  127    H    GLY  26           HN       GLY  26   9.472  11.568 -11.363
  128   1HA   GLY  26           HA1      GLY  26  10.965  11.526  -8.999
  129   2HA   GLY  26           HA2      GLY  26  11.439  10.754 -10.505
  130    H    ASN  27           HN       ASN  27   9.511   8.832 -10.795
  131    HA   ASN  27           HA       ASN  27   8.984   6.711 -10.184
  132   1HB   ASN  27           HB2      ASN  27  11.630   6.982  -9.625
  133   2HB   ASN  27           HB1      ASN  27  11.008   6.529  -8.041
  134   1HD2  ASN  27          1HD2      ASN  27   9.142   4.741  -8.443
  135   2HD2  ASN  27          2HD2      ASN  27   9.726   3.368  -9.313
  136    H    VAL  28           HN       VAL  28   8.022   9.130  -8.616
  137    HA   VAL  28           HA       VAL  28   6.965   7.615  -6.327
  138    HB   VAL  28           HB       VAL  28   7.668  10.553  -6.254
  139   1HG1  VAL  28          2HG1      VAL  28   6.543   8.636  -4.235
  140   2HG1  VAL  28          1HG1      VAL  28   7.348  10.130  -3.758
  141   3HG1  VAL  28          3HG1      VAL  28   5.897  10.191  -4.758
  142   1HG2  VAL  28          3HG2      VAL  28   9.530   8.642  -6.267
  143   2HG2  VAL  28          2HG2      VAL  28   9.668  10.096  -5.278
  144   3HG2  VAL  28          1HG2      VAL  28   9.098   8.590  -4.558
  145    H    GLY  29           HN       GLY  29   4.803   7.656  -6.137
  146   1HA   GLY  29           HA1      GLY  29   2.639   7.949  -6.920
  147   2HA   GLY  29           HA2      GLY  29   3.268   9.027  -8.157
  148    H    GLU  30           HN       GLU  30   1.721  10.588  -7.894
  149    HA   GLU  30           HA       GLU  30   1.361  11.792  -5.268
  150   1HB   GLU  30           HB2      GLU  30   2.220  13.493  -7.606
  151   2HB   GLU  30           HB1      GLU  30   2.006  13.996  -5.935
  152   1HG   GLU  30           HG2      GLU  30   3.876  12.375  -5.368
  153   2HG   GLU  30           HG1      GLU  30   4.182  12.295  -7.102
  154    H    LEU  31           HN       LEU  31  -0.791  11.500  -5.176
  155    HA   LEU  31           HA       LEU  31  -2.469  11.913  -7.478
  156   1HB   LEU  31           HB2      LEU  31  -3.201  11.468  -4.580
  157   2HB   LEU  31           HB1      LEU  31  -4.334  11.488  -5.923
  158    HG   LEU  31           HG       LEU  31  -2.094   9.494  -5.580
  159   1HD1  LEU  31          1HD1      LEU  31  -4.408   9.581  -4.134
  160   2HD1  LEU  31          3HD1      LEU  31  -4.867   8.564  -5.500
  161   3HD1  LEU  31          2HD1      LEU  31  -3.491   8.116  -4.490
  162   1HD2  LEU  31          1HD2      LEU  31  -3.462  10.290  -7.865
  163   2HD2  LEU  31          3HD2      LEU  31  -2.486   8.834  -7.664
  164   3HD2  LEU  31          2HD2      LEU  31  -4.231   8.782  -7.375
  165    H    GLN  32           HN       GLN  32  -4.182  13.479  -7.577
  166    HA   GLN  32           HA       GLN  32  -3.719  15.876  -5.928
  167   1HB   GLN  32           HB2      GLN  32  -3.303  15.662  -8.677
  168   2HB   GLN  32           HB1      GLN  32  -4.867  16.454  -8.538
  169   1HG   GLN  32           HG2      GLN  32  -3.935  18.374  -7.939
  170   2HG   GLN  32           HG1      GLN  32  -2.949  17.587  -6.707
  171   1HE2  GLN  32          1HE2      GLN  32  -1.136  16.197  -7.757
  172   2HE2  GLN  32          2HE2      GLN  32  -0.205  17.016  -8.960
  173    H    GLY  33           HN       GLY  33  -5.975  17.277  -7.164
  174   1HA   GLY  33           HA1      GLY  33  -8.303  17.307  -7.162
  175   2HA   GLY  33           HA2      GLY  33  -8.032  16.830  -5.492
  176    H    ALA  34           HN       ALA  34  -9.995  15.639  -5.479
  177    HA   ALA  34           HA       ALA  34  -9.895  12.955  -5.676
  178   1HB   ALA  34           HB1      ALA  34 -12.509  13.861  -6.595
  179   2HB   ALA  34           HB3      ALA  34 -12.047  13.038  -5.108
  180   3HB   ALA  34           HB2      ALA  34 -11.913  14.790  -5.220
  181    H    GLY  35           HN       GLY  35 -10.771  11.382  -7.209
  182   1HA   GLY  35           HA1      GLY  35 -10.754  12.282 -10.011
  183   2HA   GLY  35           HA2      GLY  35 -11.537  10.823  -9.424
  184    H    SER  36           HN       SER  36  -8.371  11.584  -8.249
  185    HA   SER  36           HA       SER  36  -6.852  10.281 -10.246
  186   1HB   SER  36           HB2      SER  36  -5.756  10.194  -7.514
  187   2HB   SER  36           HB1      SER  36  -5.064  10.873  -8.986
  188    HG   SER  36           HG       SER  36  -5.948  12.249  -7.042
  189    H    ALA  37           HN       ALA  37  -5.699   8.227 -10.039
  190    HA   ALA  37           HA       ALA  37  -6.659   6.321  -8.108
  191   1HB   ALA  37           HB1      ALA  37  -7.226   5.614 -10.962
  192   2HB   ALA  37           HB2      ALA  37  -8.416   6.453  -9.965
  193   3HB   ALA  37           HB3      ALA  37  -7.830   4.858  -9.486
  194    H    VAL  38           HN       VAL  38  -4.604   5.881  -7.530
  195    HA   VAL  38           HA       VAL  38  -2.652   5.026  -9.529
  196    HB   VAL  38           HB       VAL  38  -1.745   4.605  -6.822
  197   1HG1  VAL  38          1HG1      VAL  38  -0.698   5.413  -9.220
  198   2HG1  VAL  38          3HG1      VAL  38  -0.616   6.881  -8.241
  199   3HG1  VAL  38          2HG1      VAL  38   0.149   5.391  -7.672
  200   1HG2  VAL  38          2HG2      VAL  38  -3.200   7.140  -7.312
  201   2HG2  VAL  38          1HG2      VAL  38  -3.027   6.203  -5.830
  202   3HG2  VAL  38          3HG2      VAL  38  -1.696   7.209  -6.400
  203    H    ILE  39           HN       ILE  39  -3.633   3.084 -10.211
  204    HA   ILE  39           HA       ILE  39  -4.192   1.070  -8.192
  205    HB   ILE  39           HB       ILE  39  -4.490   0.800 -11.182
  206   1HG1  ILE  39          2HG1      ILE  39  -5.838   2.678 -10.485
  207   2HG1  ILE  39          1HG1      ILE  39  -6.902   1.303 -10.757
  208   1HG2  ILE  39          3HG2      ILE  39  -5.638  -0.740  -8.860
  209   2HG2  ILE  39          2HG2      ILE  39  -6.125  -0.952 -10.541
  210   3HG2  ILE  39          1HG2      ILE  39  -4.473  -1.319 -10.049
  211   1HD1  ILE  39          2HD1      ILE  39  -5.894   2.090  -8.039
  212   2HD1  ILE  39          1HD1      ILE  39  -7.407   2.679  -8.729
  213   3HD1  ILE  39          3HD1      ILE  39  -7.185   0.955  -8.432
  214    H    TRP  40           HN       TRP  40  -2.972  -0.620  -7.737
  215    HA   TRP  40           HA       TRP  40  -0.469  -0.981  -9.228
  216   1HB   TRP  40           HB2      TRP  40  -1.248  -1.172  -6.407
  217   2HB   TRP  40           HB1      TRP  40  -0.264  -2.523  -6.956
  218    HD1  TRP  40           HD1      TRP  40   2.189  -1.815  -8.053
  219    HE1  TRP  40           HE1      TRP  40   3.777   0.080  -7.341
  220    HE3  TRP  40           HE3      TRP  40  -1.127   1.130  -5.502
  221    HZ2  TRP  40           HZ2      TRP  40   3.645   2.493  -5.883
  222    HZ3  TRP  40           HZ3      TRP  40  -0.313   3.211  -4.471
  223    HH2  TRP  40           HH2      TRP  40   2.029   3.878  -4.662
  224    H    ASN  41           HN       ASN  41  -0.202  -2.745 -10.456
  225    HA   ASN  41           HA       ASN  41  -2.247  -4.825 -10.354
  226   1HB   ASN  41           HB2      ASN  41  -0.018  -4.580 -12.373
  227   2HB   ASN  41           HB1      ASN  41  -1.523  -5.483 -12.528
  228   1HD2  ASN  41          1HD2      ASN  41  -3.285  -3.552 -11.546
  229   2HD2  ASN  41          2HD2      ASN  41  -3.356  -2.249 -12.679
  230    H    VAL  42           HN       VAL  42  -1.916  -6.622  -9.253
  231    HA   VAL  42           HA       VAL  42   0.627  -7.984  -9.351
  232    HB   VAL  42           HB       VAL  42   0.981  -8.134  -6.962
  233   1HG1  VAL  42          1HG1      VAL  42   1.945  -6.228  -8.262
  234   2HG1  VAL  42          3HG1      VAL  42   0.617  -5.229  -7.668
  235   3HG1  VAL  42          2HG1      VAL  42   1.773  -5.926  -6.533
  236   1HG2  VAL  42          1HG2      VAL  42  -1.449  -6.366  -6.733
  237   2HG2  VAL  42          3HG2      VAL  42  -1.272  -8.018  -6.143
  238   3HG2  VAL  42          2HG2      VAL  42  -0.342  -6.713  -5.405
  239    H    ASP  43           HN       ASP  43   0.515 -10.157  -8.518
  240    HA   ASP  43           HA       ASP  43  -2.250 -11.144  -8.289
  241   1HB   ASP  43           HB2      ASP  43  -1.605 -13.138  -9.457
  242   2HB   ASP  43           HB1      ASP  43  -1.047 -11.760 -10.401
  243    H    VAL  44           HN       VAL  44  -2.735 -11.955  -6.373
  244    HA   VAL  44           HA       VAL  44  -1.125 -12.210  -4.190
  245    HB   VAL  44           HB       VAL  44  -2.813 -14.242  -3.634
  246   1HG1  VAL  44          1HG1      VAL  44  -3.128 -11.279  -3.512
  247   2HG1  VAL  44          3HG1      VAL  44  -4.449 -12.321  -2.981
  248   3HG1  VAL  44          2HG1      VAL  44  -2.868 -12.442  -2.211
  249   1HG2  VAL  44          2HG2      VAL  44  -3.622 -13.695  -6.161
  250   2HG2  VAL  44          1HG2      VAL  44  -4.659 -14.383  -4.915
  251   3HG2  VAL  44          3HG2      VAL  44  -4.696 -12.649  -5.231
  252    HA   PRO  45           HA       PRO  45   1.621 -15.559  -5.297
  253   1HB   PRO  45           HB2      PRO  45   2.793 -15.823  -2.842
  254   2HB   PRO  45           HB1      PRO  45   3.243 -14.581  -4.016
  255   1HG   PRO  45           HG2      PRO  45   1.462 -14.371  -1.625
  256   2HG   PRO  45           HG1      PRO  45   2.675 -13.225  -2.223
  257   1HD   PRO  45           HD2      PRO  45   0.033 -12.874  -2.649
  258   2HD   PRO  45           HD1      PRO  45   1.257 -12.366  -3.829
  259    H    VAL  46           HN       VAL  46   0.131 -15.748  -2.050
  260    HA   VAL  46           HA       VAL  46  -0.838 -18.421  -2.699
  261    HB   VAL  46           HB       VAL  46   0.100 -18.695  -0.069
  262   1HG1  VAL  46          2HG1      VAL  46  -0.137 -20.410  -1.841
  263   2HG1  VAL  46          1HG1      VAL  46   1.331 -19.777  -2.592
  264   3HG1  VAL  46          3HG1      VAL  46   1.402 -20.489  -0.978
  265   1HG2  VAL  46          3HG2      VAL  46   2.223 -17.515  -1.858
  266   2HG2  VAL  46          2HG2      VAL  46   1.619 -16.838  -0.345
  267   3HG2  VAL  46          1HG2      VAL  46   2.536 -18.346  -0.334
  268    H    THR  47           HN       THR  47  -1.767 -19.264  -0.339
  269    HA   THR  47           HA       THR  47  -3.893 -17.343   0.225
  270    HB   THR  47           HB       THR  47  -3.938 -20.057   1.421
  271    HG1  THR  47           HG1      THR  47  -4.371 -19.674  -1.353
  272   1HG2  THR  47          2HG2      THR  47  -5.875 -18.139   0.279
  273   2HG2  THR  47          1HG2      THR  47  -6.249 -19.859   0.160
  274   3HG2  THR  47          3HG2      THR  47  -5.972 -19.124   1.739
  275    H    GLY  48           HN       GLY  48  -2.929 -15.918   1.659
  276   1HA   GLY  48           HA1      GLY  48  -1.223 -16.293   3.717
  277   2HA   GLY  48           HA2      GLY  48  -2.743 -16.869   4.385
  278    H    GLU  49           HN       GLU  49  -1.990 -14.975   5.855
  279    HA   GLU  49           HA       GLU  49  -3.621 -12.691   5.097
  280   1HB   GLU  49           HB2      GLU  49  -3.926 -13.640   7.329
  281   2HB   GLU  49           HB1      GLU  49  -2.232 -13.344   7.702
  282   1HG   GLU  49           HG2      GLU  49  -2.606 -10.931   7.502
  283   2HG   GLU  49           HG1      GLU  49  -4.305 -11.237   7.125
  284    H    TYR  50           HN       TYR  50  -2.765 -10.975   4.132
  285    HA   TYR  50           HA       TYR  50   0.056 -10.348   4.691
  286   1HB   TYR  50           HB2      TYR  50  -1.466  -9.566   2.203
  287   2HB   TYR  50           HB1      TYR  50   0.268  -9.445   2.486
  288    HD1  TYR  50           HD1      TYR  50  -1.108 -10.804   0.137
  289    HD2  TYR  50           HD2      TYR  50   0.313 -12.307   3.853
  290    HE1  TYR  50           HE1      TYR  50  -0.801 -13.019  -0.883
  291    HE2  TYR  50           HE2      TYR  50   0.624 -14.527   2.843
  292    HH   TYR  50           HH       TYR  50  -0.603 -15.315  -0.275
  293    H    ARG  51           HN       ARG  51   0.292  -8.627   5.915
  294    HA   ARG  51           HA       ARG  51  -1.885  -6.803   6.321
  295   1HB   ARG  51           HB2      ARG  51  -0.328  -5.715   7.932
  296   2HB   ARG  51           HB1      ARG  51  -0.580  -7.434   8.226
  297   1HG   ARG  51           HG2      ARG  51   1.557  -7.995   7.611
  298   2HG   ARG  51           HG1      ARG  51   1.751  -6.574   6.581
  299   1HD   ARG  51           HD2      ARG  51   3.078  -6.560   8.723
  300   2HD   ARG  51           HD1      ARG  51   2.060  -5.149   8.444
  301    HE   ARG  51           HE       ARG  51   0.677  -7.096   9.970
  302   1HH1  ARG  51          1HH1      ARG  51   3.185  -4.678  10.220
  303   2HH1  ARG  51          2HH1      ARG  51   2.926  -4.406  11.910
  304   1HH2  ARG  51          1HH2      ARG  51   0.337  -6.736  12.194
  305   2HH2  ARG  51          2HH2      ARG  51   1.311  -5.573  13.030
  306    H    ILE  52           HN       ILE  52  -2.260  -5.013   5.270
  307    HA   ILE  52           HA       ILE  52  -0.509  -4.121   3.184
  308    HB   ILE  52           HB       ILE  52  -3.112  -2.965   4.196
  309   1HG1  ILE  52          2HG1      ILE  52  -3.586  -5.098   3.309
  310   2HG1  ILE  52          1HG1      ILE  52  -3.934  -3.982   1.992
  311   1HG2  ILE  52          3HG2      ILE  52  -1.699  -1.307   3.014
  312   2HG2  ILE  52          2HG2      ILE  52  -1.687  -2.372   1.608
  313   3HG2  ILE  52          1HG2      ILE  52  -3.205  -1.668   2.168
  314   1HD1  ILE  52          3HD1      ILE  52  -1.754  -4.490   0.997
  315   2HD1  ILE  52          2HD1      ILE  52  -1.439  -5.630   2.315
  316   3HD1  ILE  52          1HD1      ILE  52  -2.758  -5.936   1.183
  317    H    ASN  53           HN       ASN  53   0.471  -2.133   2.968
  318    HA   ASN  53           HA       ASN  53   0.530  -0.298   5.219
  319   1HB   ASN  53           HB2      ASN  53   3.113  -1.417   4.123
  320   2HB   ASN  53           HB1      ASN  53   2.908  -0.346   5.506
  321   1HD2  ASN  53          1HD2      ASN  53   2.110  -3.569   4.308
  322   2HD2  ASN  53          2HD2      ASN  53   2.120  -4.341   5.853
  323    H    LEU  54           HN       LEU  54  -0.003   1.556   4.199
  324    HA   LEU  54           HA       LEU  54   1.096   2.018   1.529
  325   1HB   LEU  54           HB2      LEU  54  -1.356   2.860   2.914
  326   2HB   LEU  54           HB1      LEU  54  -0.593   4.132   1.984
  327    HG   LEU  54           HG       LEU  54  -2.112   1.786   1.072
  328   1HD1  LEU  54          2HD1      LEU  54  -2.710   4.188   0.731
  329   2HD1  LEU  54          1HD1      LEU  54  -1.346   4.305  -0.381
  330   3HD1  LEU  54          3HD1      LEU  54  -2.678   3.205  -0.741
  331   1HD2  LEU  54          1HD2      LEU  54   0.482   2.545  -0.253
  332   2HD2  LEU  54          3HD2      LEU  54  -0.029   0.946   0.288
  333   3HD2  LEU  54          2HD2      LEU  54  -0.827   1.712  -1.088
  334    H    THR  55           HN       THR  55   2.786   3.213   1.269
  335    HA   THR  55           HA       THR  55   3.625   5.005   3.422
  336    HB   THR  55           HB       THR  55   5.308   4.540   1.008
  337    HG1  THR  55           HG1      THR  55   4.717   2.604   2.977
  338   1HG2  THR  55          2HG2      THR  55   5.731   5.151   3.865
  339   2HG2  THR  55          1HG2      THR  55   6.935   4.138   3.069
  340   3HG2  THR  55          3HG2      THR  55   6.576   5.744   2.434
  341    H    TRP  56           HN       TRP  56   3.125   7.091   3.294
  342    HA   TRP  56           HA       TRP  56   3.272   8.417   0.698
  343   1HB   TRP  56           HB2      TRP  56   1.122   9.589   1.104
  344   2HB   TRP  56           HB1      TRP  56   0.932   7.856   0.870
  345    HD1  TRP  56           HD1      TRP  56   0.940   6.498   3.471
  346    HE1  TRP  56           HE1      TRP  56  -0.552   7.150   5.474
  347    HE3  TRP  56           HE3      TRP  56  -0.123  11.326   2.163
  348    HZ2  TRP  56           HZ2      TRP  56  -1.987   9.407   6.369
  349    HZ3  TRP  56           HZ3      TRP  56  -1.566  12.660   3.646
  350    HH2  TRP  56           HH2      TRP  56  -2.479  11.720   5.698
  351    H    SER  57           HN       SER  57   3.139  10.806   0.903
  352    HA   SER  57           HA       SER  57   3.940  11.871   3.505
  353   1HB   SER  57           HB2      SER  57   5.778  13.158   2.088
  354   2HB   SER  57           HB1      SER  57   6.110  11.566   2.771
  355    HG   SER  57           HG       SER  57   5.093  11.938   0.153
  356    H    SER  58           HN       SER  58   1.683  12.655   3.092
  357    HA   SER  58           HA       SER  58   1.700  15.046   1.371
  358   1HB   SER  58           HB2      SER  58   0.078  13.472   0.553
  359   2HB   SER  58           HB1      SER  58  -0.588  13.242   2.168
  360    HG   SER  58           HG       SER  58  -0.571  15.763   0.888
  361    HA   PRO  59           HA       PRO  59   1.476  16.756   5.620
  362   1HB   PRO  59           HB2      PRO  59   2.549  19.149   4.302
  363   2HB   PRO  59           HB1      PRO  59   3.214  18.219   5.648
  364   1HG   PRO  59           HG2      PRO  59   4.338  18.202   3.197
  365   2HG   PRO  59           HG1      PRO  59   4.364  16.783   4.261
  366   1HD   PRO  59           HD2      PRO  59   2.591  17.361   1.914
  367   2HD   PRO  59           HD1      PRO  59   3.378  15.839   2.385
  368    H    TYR  60           HN       TYR  60  -0.682  17.102   5.920
  369    HA   TYR  60           HA       TYR  60  -1.748  19.612   4.888
  370   1HB   TYR  60           HB2      TYR  60  -2.521  17.989   3.258
  371   2HB   TYR  60           HB1      TYR  60  -3.136  16.947   4.535
  372    HD1  TYR  60           HD1      TYR  60  -5.296  17.293   5.458
  373    HD2  TYR  60           HD2      TYR  60  -3.627  20.196   2.833
  374    HE1  TYR  60           HE1      TYR  60  -7.480  18.412   5.316
  375    HE2  TYR  60           HE2      TYR  60  -5.807  21.323   2.685
  376    HH   TYR  60           HH       TYR  60  -8.405  20.585   4.778
  377    H    SER  61           HN       SER  61  -3.589  16.995   6.372
  378    HA   SER  61           HA       SER  61  -3.457  17.281   9.006
  379   1HB   SER  61           HB2      SER  61  -4.637  19.766   7.878
  380   2HB   SER  61           HB1      SER  61  -5.429  19.094   9.302
  381    HG   SER  61           HG       SER  61  -3.246  19.051  10.240
  382    H    SER  62           HN       SER  62  -4.283  15.226   7.869
  383    HA   SER  62           HA       SER  62  -5.909  13.632   7.823
  384   1HB   SER  62           HB2      SER  62  -7.697  13.791   9.272
  385   2HB   SER  62           HB1      SER  62  -6.656  15.048   9.938
  386    HG   SER  62           HG       SER  62  -7.931  16.582   9.087
  387    H    LYS  63           HN       LYS  63  -6.489  13.138   5.828
  388    HA   LYS  63           HA       LYS  63  -8.336  14.944   4.408
  389   1HB   LYS  63           HB2      LYS  63  -7.253  13.983   2.295
  390   2HB   LYS  63           HB1      LYS  63  -6.331  15.164   3.213
  391   1HG   LYS  63           HG2      LYS  63  -5.620  12.669   4.261
  392   2HG   LYS  63           HG1      LYS  63  -5.655  12.467   2.510
  393   1HD   LYS  63           HD2      LYS  63  -4.143  14.598   4.021
  394   2HD   LYS  63           HD1      LYS  63  -3.441  13.160   3.279
  395   1HE   LYS  63           HE2      LYS  63  -3.279  14.212   1.331
  396   2HE   LYS  63           HE1      LYS  63  -5.013  14.533   1.332
  397   1HZ   LYS  63           HZ3      LYS  63  -4.408  16.453   2.885
  398   2HZ   LYS  63           HZ2      LYS  63  -2.822  16.239   2.335
  399   3HZ   LYS  63           HZ1      LYS  63  -4.052  16.626   1.240
  400    H    VAL  64           HN       VAL  64  -9.538  13.722   2.583
  401    HA   VAL  64           HA       VAL  64 -10.373  11.117   3.693
  402    HB   VAL  64           HB       VAL  64 -11.989  12.938   1.908
  403   1HG1  VAL  64          1HG1      VAL  64 -12.322  10.282   2.324
  404   2HG1  VAL  64          3HG1      VAL  64 -13.305  10.952   3.626
  405   3HG1  VAL  64          2HG1      VAL  64 -13.632  11.403   1.953
  406   1HG2  VAL  64          3HG2      VAL  64 -11.814  12.725   4.891
  407   2HG2  VAL  64          2HG2      VAL  64 -11.821  14.167   3.875
  408   3HG2  VAL  64          1HG2      VAL  64 -13.306  13.245   4.106
  409    H    ASN  65           HN       ASN  65  -9.259   9.591   2.597
  410    HA   ASN  65           HA       ASN  65  -9.488   9.634  -0.340
  411   1HB   ASN  65           HB2      ASN  65  -7.088   9.223   1.373
  412   2HB   ASN  65           HB1      ASN  65  -7.218   8.258  -0.094
  413   1HD2  ASN  65          1HD2      ASN  65  -7.725  11.621   0.931
  414   2HD2  ASN  65          2HD2      ASN  65  -6.933  12.331  -0.429
  415    H    THR  66           HN       THR  66  -9.683   7.615  -1.372
  416    HA   THR  66           HA       THR  66 -10.672   5.491   0.398
  417    HB   THR  66           HB       THR  66 -11.050   5.184  -2.508
  418    HG1  THR  66           HG1      THR  66 -12.206   6.913  -2.839
  419   1HG2  THR  66          3HG2      THR  66 -12.173   3.741  -0.879
  420   2HG2  THR  66          2HG2      THR  66 -13.013   5.150  -0.230
  421   3HG2  THR  66          1HG2      THR  66 -13.312   4.631  -1.889
  422    H    LEU  67           HN       LEU  67  -9.191   4.018   0.890
  423    HA   LEU  67           HA       LEU  67  -6.917   3.510  -0.786
  424   1HB   LEU  67           HB2      LEU  67  -7.582   3.112   1.908
  425   2HB   LEU  67           HB1      LEU  67  -7.354   1.508   1.242
  426    HG   LEU  67           HG       LEU  67  -5.313   2.468   2.274
  427   1HD1  LEU  67          1HD1      LEU  67  -5.607   1.164  -0.232
  428   2HD1  LEU  67          3HD1      LEU  67  -4.233   2.266  -0.341
  429   3HD1  LEU  67          2HD1      LEU  67  -4.290   1.040   0.933
  430   1HD2  LEU  67          2HD2      LEU  67  -6.053   4.738   0.797
  431   2HD2  LEU  67          1HD2      LEU  67  -4.622   4.521   1.805
  432   3HD2  LEU  67          3HD2      LEU  67  -4.556   4.147   0.086
  433    H    VAL  68           HN       VAL  68  -6.806   2.109  -2.415
  434    HA   VAL  68           HA       VAL  68  -8.952   0.129  -2.718
  435    HB   VAL  68           HB       VAL  68  -6.887   0.987  -4.751
  436   1HG1  VAL  68          2HG1      VAL  68  -9.399  -0.656  -4.951
  437   2HG1  VAL  68          1HG1      VAL  68  -8.577   0.036  -6.350
  438   3HG1  VAL  68          3HG1      VAL  68  -7.749  -1.145  -5.334
  439   1HG2  VAL  68          3HG2      VAL  68  -9.521   2.133  -3.997
  440   2HG2  VAL  68          2HG2      VAL  68  -8.056   2.934  -4.563
  441   3HG2  VAL  68          1HG2      VAL  68  -9.095   2.086  -5.708
  442    H    MET  69           HN       MET  69  -8.298  -1.583  -1.447
  443    HA   MET  69           HA       MET  69  -5.882  -2.969  -2.360
  444   1HB   MET  69           HB2      MET  69  -6.605  -2.547   0.546
  445   2HB   MET  69           HB1      MET  69  -5.263  -3.516  -0.043
  446   1HG   MET  69           HG2      MET  69  -5.292  -0.743  -0.998
  447   2HG   MET  69           HG1      MET  69  -5.080  -0.933   0.740
  448   1HE   MET  69           HE3      MET  69  -2.706  -0.095   1.071
  449   2HE   MET  69           HE2      MET  69  -1.365  -0.428  -0.017
  450   3HE   MET  69           HE1      MET  69  -2.747   0.504  -0.585
  451    H    ASP  70           HN       ASP  70  -6.063  -5.143  -2.510
  452    HA   ASP  70           HA       ASP  70  -7.057  -7.182  -2.670
  453   1HB   ASP  70           HB2      ASP  70  -6.782  -7.046  -0.197
  454   2HB   ASP  70           HB1      ASP  70  -8.407  -6.380  -0.085
  455    H    GLY  71           HN       GLY  71  -8.337  -5.007  -4.017
  456   1HA   GLY  71           HA1      GLY  71 -10.776  -6.247  -4.724
  457   2HA   GLY  71           HA2      GLY  71 -10.255  -4.646  -5.229
  458    H    THR  72           HN       THR  72 -10.005  -4.135  -2.160
  459    HA   THR  72           HA       THR  72 -12.869  -3.761  -1.620
  460    HB   THR  72           HB       THR  72 -10.587  -3.564   0.348
  461    HG1  THR  72           HG1      THR  72 -12.309  -5.774  -0.074
  462   1HG2  THR  72          1HG2      THR  72 -13.475  -3.253   0.561
  463   2HG2  THR  72          3HG2      THR  72 -12.790  -4.394   1.717
  464   3HG2  THR  72          2HG2      THR  72 -12.187  -2.738   1.652
  465    H    ALA  73           HN       ALA  73 -13.647  -1.778  -0.916
  466    HA   ALA  73           HA       ALA  73 -11.935   0.506  -1.617
  467   1HB   ALA  73           HB1      ALA  73 -14.646  -0.171  -2.252
  468   2HB   ALA  73           HB3      ALA  73 -14.605   1.359  -1.375
  469   3HB   ALA  73           HB2      ALA  73 -13.661   1.163  -2.852
  470    H    LEU  74           HN       LEU  74 -10.982   0.231   0.572
  471    HA   LEU  74           HA       LEU  74 -12.641   0.825   2.827
  472   1HB   LEU  74           HB2      LEU  74 -10.766   0.501   4.167
  473   2HB   LEU  74           HB1      LEU  74 -10.546  -0.623   2.841
  474    HG   LEU  74           HG       LEU  74  -9.166   1.507   1.895
  475   1HD1  LEU  74          2HD1      LEU  74  -8.818   1.549   4.889
  476   2HD1  LEU  74          1HD1      LEU  74  -7.819   2.419   3.725
  477   3HD1  LEU  74          3HD1      LEU  74  -9.525   2.830   3.905
  478   1HD2  LEU  74          1HD2      LEU  74  -8.198  -0.720   3.682
  479   2HD2  LEU  74          3HD2      LEU  74  -8.264  -0.704   1.919
  480   3HD2  LEU  74          2HD2      LEU  74  -7.122   0.342   2.767
  481    H    SER  75           HN       SER  75 -13.398   2.769   3.179
  482    HA   SER  75           HA       SER  75 -11.920   5.107   2.241
  483   1HB   SER  75           HB2      SER  75 -14.198   5.123   1.563
  484   2HB   SER  75           HB1      SER  75 -14.756   4.695   3.180
  485    HG   SER  75           HG       SER  75 -14.717   6.728   3.701
  486    H    TYR  76           HN       TYR  76 -10.441   5.786   3.659
  487    HA   TYR  76           HA       TYR  76 -11.339   6.296   6.406
  488   1HB   TYR  76           HB2      TYR  76  -9.496   5.306   7.394
  489   2HB   TYR  76           HB1      TYR  76  -9.793   4.213   6.048
  490    HD1  TYR  76           HD1      TYR  76  -8.374   4.459   3.963
  491    HD2  TYR  76           HD2      TYR  76  -7.432   6.408   7.624
  492    HE1  TYR  76           HE1      TYR  76  -6.060   4.766   3.197
  493    HE2  TYR  76           HE2      TYR  76  -5.113   6.723   6.868
  494    HH   TYR  76           HH       TYR  76  -3.638   5.148   4.760
  495    H    ALA  77           HN       ALA  77 -10.327   8.061   7.455
  496    HA   ALA  77           HA       ALA  77  -9.581  10.154   5.632
  497   1HB   ALA  77           HB2      ALA  77 -10.491   9.968   8.385
  498   2HB   ALA  77           HB1      ALA  77  -9.213  11.166   8.172
  499   3HB   ALA  77           HB3      ALA  77 -10.690  11.270   7.212
  500    H    PHE  78           HN       PHE  78  -7.585   9.944   4.795
  501    HA   PHE  78           HA       PHE  78  -5.339   8.796   5.861
  502   1HB   PHE  78           HB2      PHE  78  -5.881  10.799   3.775
  503   2HB   PHE  78           HB1      PHE  78  -4.248  10.858   4.430
  504    HD1  PHE  78           HD1      PHE  78  -6.671   8.204   3.403
  505    HD2  PHE  78           HD2      PHE  78  -2.700   9.712   3.206
  506    HE1  PHE  78           HE1      PHE  78  -6.035   6.331   1.942
  507    HE2  PHE  78           HE2      PHE  78  -2.054   7.842   1.746
  508    HZ   PHE  78           HZ       PHE  78  -3.724   6.149   1.109
  509    H    ALA  79           HN       ALA  79  -4.754   9.160   7.938
  510    HA   ALA  79           HA       ALA  79  -4.915  11.555   9.349
  511   1HB   ALA  79           HB2      ALA  79  -3.260  10.537  10.889
  512   2HB   ALA  79           HB3      ALA  79  -3.039   9.227   9.727
  513   3HB   ALA  79           HB1      ALA  79  -4.609   9.470  10.497
  514    H    GLU  80           HN       GLU  80  -3.545  13.250   9.706
  515    HA   GLU  80           HA       GLU  80  -1.994  14.344   7.803
  516   1HB   GLU  80           HB2      GLU  80  -2.591  15.113  10.274
  517   2HB   GLU  80           HB1      GLU  80  -0.937  14.604  10.577
  518   1HG   GLU  80           HG2      GLU  80  -1.324  16.331   8.229
  519   2HG   GLU  80           HG1      GLU  80  -1.640  17.079   9.794
  520    H    ALA  81           HN       ALA  81  -0.457  13.411   6.620
  521    HA   ALA  81           HA       ALA  81   1.787  12.140   8.030
  522   1HB   ALA  81           HB3      ALA  81   1.882  10.349   6.463
  523   2HB   ALA  81           HB1      ALA  81   0.626  11.082   5.463
  524   3HB   ALA  81           HB2      ALA  81   0.226  10.446   7.061
  525    H    THR  82           HN       THR  82   3.672  12.988   7.513
  526    HA   THR  82           HA       THR  82   3.985  14.263   4.877
  527    HB   THR  82           HB       THR  82   4.105  16.142   6.178
  528    HG1  THR  82           HG1      THR  82   6.739  15.211   6.619
  529   1HG2  THR  82          1HG2      THR  82   4.820  14.319   8.375
  530   2HG2  THR  82          3HG2      THR  82   5.494  15.946   8.455
  531   3HG2  THR  82          2HG2      THR  82   3.748  15.719   8.354
  532    H    VAL  83           HN       VAL  83   5.767  12.836   7.614
  533    HA   VAL  83           HA       VAL  83   8.012  12.178   6.035
  534    HB   VAL  83           HB       VAL  83   8.967  12.022   7.996
  535   1HG1  VAL  83          1HG1      VAL  83   7.254  13.800   8.477
  536   2HG1  VAL  83          3HG1      VAL  83   6.437  12.568   9.445
  537   3HG1  VAL  83          2HG1      VAL  83   8.076  13.072   9.856
  538   1HG2  VAL  83          3HG2      VAL  83   6.785  10.189   8.849
  539   2HG2  VAL  83          2HG2      VAL  83   8.351   9.720   8.189
  540   3HG2  VAL  83          1HG2      VAL  83   8.257  10.481   9.778
  541    HA   PRO  84           HA       PRO  84   7.109   8.130   4.523
  542   1HB   PRO  84           HB2      PRO  84   9.057   7.048   6.521
  543   2HB   PRO  84           HB1      PRO  84   8.915   6.706   4.792
  544   1HG   PRO  84           HG2      PRO  84  10.803   8.351   5.701
  545   2HG   PRO  84           HG1      PRO  84   9.958   8.683   4.179
  546   1HD   PRO  84           HD2      PRO  84   9.687  10.010   6.822
  547   2HD   PRO  84           HD1      PRO  84   9.446  10.671   5.194
  548    H    VAL  85           HN       VAL  85   4.973   8.212   5.503
  549    HA   VAL  85           HA       VAL  85   4.700   6.704   8.013
  550    HB   VAL  85           HB       VAL  85   2.592   8.307   6.554
  551   1HG1  VAL  85          2HG1      VAL  85   2.212   6.328   8.388
  552   2HG1  VAL  85          1HG1      VAL  85   2.286   7.759   9.417
  553   3HG1  VAL  85          3HG1      VAL  85   1.105   7.673   8.110
  554   1HG2  VAL  85          3HG2      VAL  85   4.723   9.116   8.369
  555   2HG2  VAL  85          2HG2      VAL  85   3.684  10.094   7.334
  556   3HG2  VAL  85          1HG2      VAL  85   3.121   9.597   8.928
  557    H    THR  86           HN       THR  86   4.117   4.637   7.924
  558    HA   THR  86           HA       THR  86   2.947   3.623   5.431
  559    HB   THR  86           HB       THR  86   3.702   1.522   7.231
  560    HG1  THR  86           HG1      THR  86   5.442   2.286   8.077
  561   1HG2  THR  86          3HG2      THR  86   3.695   1.771   4.599
  562   2HG2  THR  86          2HG2      THR  86   5.383   2.187   4.892
  563   3HG2  THR  86          1HG2      THR  86   4.751   0.633   5.435
  564    H    TYR  87           HN       TYR  87   0.782   3.831   5.609
  565    HA   TYR  87           HA       TYR  87  -0.689   3.409   8.003
  566   1HB   TYR  87           HB2      TYR  87  -1.848   4.743   6.506
  567   2HB   TYR  87           HB1      TYR  87  -1.347   3.796   5.111
  568    HD1  TYR  87           HD1      TYR  87  -2.773   2.174   4.198
  569    HD2  TYR  87           HD2      TYR  87  -3.618   3.762   8.052
  570    HE1  TYR  87           HE1      TYR  87  -4.958   1.048   4.173
  571    HE2  TYR  87           HE2      TYR  87  -5.806   2.640   8.041
  572    HH   TYR  87           HH       TYR  87  -6.848   0.646   6.908
  573    H    VAL  88           HN       VAL  88  -0.410   1.440   8.939
  574    HA   VAL  88           HA       VAL  88  -0.319  -0.973   7.391
  575    HB   VAL  88           HB       VAL  88  -0.577  -0.753  10.384
  576   1HG1  VAL  88          2HG1      VAL  88   0.438  -2.934   8.564
  577   2HG1  VAL  88          1HG1      VAL  88   0.594  -2.947  10.320
  578   3HG1  VAL  88          3HG1      VAL  88  -1.007  -2.979   9.577
  579   1HG2  VAL  88          1HG2      VAL  88   1.319   0.583   9.613
  580   2HG2  VAL  88          3HG2      VAL  88   1.862  -0.860  10.468
  581   3HG2  VAL  88          2HG2      VAL  88   1.932  -0.801   8.708
  582    H    GLN  89           HN       GLN  89  -1.999  -2.051   6.658
  583    HA   GLN  89           HA       GLN  89  -4.451  -2.149   8.278
  584   1HB   GLN  89           HB2      GLN  89  -4.910  -0.607   6.458
  585   2HB   GLN  89           HB1      GLN  89  -4.271  -1.745   5.282
  586   1HG   GLN  89           HG2      GLN  89  -6.587  -1.915   5.085
  587   2HG   GLN  89           HG1      GLN  89  -6.116  -3.321   6.039
  588   1HE2  GLN  89          1HE2      GLN  89  -8.688  -1.963   5.868
  589   2HE2  GLN  89          2HE2      GLN  89  -9.082  -1.476   7.479
  590    H    THR  90           HN       THR  90  -4.600  -4.208   8.918
  591    HA   THR  90           HA       THR  90  -3.337  -6.314   7.430
  592    HB   THR  90           HB       THR  90  -4.529  -7.723   9.286
  593    HG1  THR  90           HG1      THR  90  -5.562  -6.631  10.737
  594   1HG2  THR  90          2HG2      THR  90  -2.261  -5.817   9.678
  595   2HG2  THR  90          1HG2      THR  90  -2.836  -6.825  11.008
  596   3HG2  THR  90          3HG2      THR  90  -2.237  -7.577   9.528
  597    H    LYS  91           HN       LYS  91  -4.187  -7.348   5.801
  598    HA   LYS  91           HA       LYS  91  -7.067  -7.913   5.798
  599   1HB   LYS  91           HB2      LYS  91  -5.603  -7.064   3.301
  600   2HB   LYS  91           HB1      LYS  91  -7.337  -7.260   3.526
  601   1HG   LYS  91           HG2      LYS  91  -6.876  -5.373   5.363
  602   2HG   LYS  91           HG1      LYS  91  -5.572  -5.004   4.232
  603   1HD   LYS  91           HD2      LYS  91  -7.439  -3.701   3.563
  604   2HD   LYS  91           HD1      LYS  91  -7.307  -5.024   2.404
  605   1HE   LYS  91           HE2      LYS  91  -9.629  -4.653   3.072
  606   2HE   LYS  91           HE1      LYS  91  -9.059  -6.244   3.574
  607   1HZ   LYS  91           HZ3      LYS  91  -8.580  -4.335   5.612
  608   2HZ   LYS  91           HZ2      LYS  91 -10.210  -4.301   5.165
  609   3HZ   LYS  91           HZ1      LYS  91  -9.505  -5.750   5.674
  610    H    THR  92           HN       THR  92  -7.334 -10.041   5.672
  611    HA   THR  92           HA       THR  92  -5.225 -11.809   5.039
  612    HB   THR  92           HB       THR  92  -8.067 -12.700   4.938
  613    HG1  THR  92           HG1      THR  92  -8.455 -11.733   6.747
  614   1HG2  THR  92          3HG2      THR  92  -5.598 -13.775   6.272
  615   2HG2  THR  92          2HG2      THR  92  -7.206 -14.494   6.397
  616   3HG2  THR  92          1HG2      THR  92  -6.394 -14.417   4.833
  617    H    LEU  93           HN       LEU  93  -4.424 -12.033   3.055
  618    HA   LEU  93           HA       LEU  93  -6.131 -11.641   0.743
  619   1HB   LEU  93           HB2      LEU  93  -3.195 -11.808   1.207
  620   2HB   LEU  93           HB1      LEU  93  -3.791 -12.226  -0.385
  621    HG   LEU  93           HG       LEU  93  -3.661  -9.575   0.955
  622   1HD1  LEU  93          2HD1      LEU  93  -2.493 -10.808  -1.252
  623   2HD1  LEU  93          1HD1      LEU  93  -3.626  -9.638  -1.926
  624   3HD1  LEU  93          3HD1      LEU  93  -2.381  -9.111  -0.794
  625   1HD2  LEU  93          2HD2      LEU  93  -5.932 -10.496  -0.757
  626   2HD2  LEU  93          1HD2      LEU  93  -5.950  -9.450   0.664
  627   3HD2  LEU  93          3HD2      LEU  93  -5.357  -8.831  -0.879
  628    H    SER  94           HN       SER  94  -6.461 -13.148  -0.894
  629    HA   SER  94           HA       SER  94  -5.994 -15.911  -0.094
  630   1HB   SER  94           HB2      SER  94  -7.999 -16.243  -1.807
  631   2HB   SER  94           HB1      SER  94  -8.290 -15.846  -0.113
  632    HG   SER  94           HG       SER  94  -8.867 -13.859  -0.656
  633    H    ALA  95           HN       ALA  95  -5.840 -17.474  -1.917
  634    HA   ALA  95           HA       ALA  95  -3.837 -16.625  -3.751
  635   1HB   ALA  95           HB2      ALA  95  -5.267 -19.173  -3.191
  636   2HB   ALA  95           HB3      ALA  95  -3.540 -18.819  -3.170
  637   3HB   ALA  95           HB1      ALA  95  -4.381 -19.015  -4.708
  638    H    GLY  96           HN       GLY  96  -3.919 -16.555  -6.030
  639   1HA   GLY  96           HA1      GLY  96  -6.635 -16.100  -7.105
  640   2HA   GLY  96           HA2      GLY  96  -5.408 -16.966  -8.017
  641    H    ASN  97           HN       ASN  97  -6.945 -14.139  -7.896
  642    HA   ASN  97           HA       ASN  97  -4.597 -12.515  -8.594
  643   1HB   ASN  97           HB2      ASN  97  -6.232 -13.553 -10.517
  644   2HB   ASN  97           HB1      ASN  97  -7.009 -12.002 -10.212
  645   1HD2  ASN  97          1HD2      ASN  97  -5.237 -10.190  -9.935
  646   2HD2  ASN  97          2HD2      ASN  97  -4.092 -10.129 -11.227
  647    H    HIS  98           HN       HIS  98  -4.692 -10.399  -7.975
  648    HA   HIS  98           HA       HIS  98  -7.213  -9.409  -6.845
  649   1HB   HIS  98           HB2      HIS  98  -4.562  -9.642  -5.469
  650   2HB   HIS  98           HB1      HIS  98  -5.668  -8.345  -5.028
  651    HD1  HIS  98           HD1      HIS  98  -7.764 -11.084  -5.859
  652    HD2  HIS  98           HD2      HIS  98  -5.400 -10.119  -2.590
  653    HE1  HIS  98           HE1      HIS  98  -8.643 -12.479  -3.958
  654    HE2  HIS  98           HE2      HIS  98  -7.305 -11.750  -1.957
  655    H    SER  99           HN       SER  99  -7.035  -7.020  -6.311
  656    HA   SER  99           HA       SER  99  -5.244  -5.628  -8.174
  657   1HB   SER  99           HB2      SER  99  -7.537  -4.096  -8.260
  658   2HB   SER  99           HB1      SER  99  -7.024  -5.236  -9.503
  659    HG   SER  99           HG       SER  99  -8.446  -6.691  -8.787
  660    H    PHE 100           HN       PHE 100  -3.962  -4.564  -6.800
  661    HA   PHE 100           HA       PHE 100  -5.115  -3.231  -4.460
  662   1HB   PHE 100           HB2      PHE 100  -2.326  -4.001  -5.275
  663   2HB   PHE 100           HB1      PHE 100  -2.584  -2.788  -4.026
  664    HD1  PHE 100           HD1      PHE 100  -2.356  -6.265  -4.739
  665    HD2  PHE 100           HD2      PHE 100  -4.043  -3.452  -2.047
  666    HE1  PHE 100           HE1      PHE 100  -2.627  -8.048  -3.059
  667    HE2  PHE 100           HE2      PHE 100  -4.312  -5.212  -0.352
  668    HZ   PHE 100           HZ       PHE 100  -3.608  -7.517  -0.859
  669    H    GLY 101           HN       GLY 101  -4.014  -0.981  -3.971
  670   1HA   GLY 101           HA1      GLY 101  -4.467   0.600  -6.372
  671   2HA   GLY 101           HA2      GLY 101  -2.872   0.723  -5.661
  672    H    VAL 102           HN       VAL 102  -4.534   2.880  -6.007
  673    HA   VAL 102           HA       VAL 102  -5.802   3.513  -3.472
  674    HB   VAL 102           HB       VAL 102  -3.875   5.616  -4.213
  675   1HG1  VAL 102          3HG1      VAL 102  -5.388   4.864  -2.004
  676   2HG1  VAL 102          2HG1      VAL 102  -3.707   4.578  -1.536
  677   3HG1  VAL 102          1HG1      VAL 102  -4.209   6.178  -2.096
  678   1HG2  VAL 102          2HG2      VAL 102  -2.528   3.546  -4.628
  679   2HG2  VAL 102          1HG2      VAL 102  -1.908   4.596  -3.348
  680   3HG2  VAL 102          3HG2      VAL 102  -2.785   3.118  -2.930
  681    H    ARG 103           HN       ARG 103  -7.572   4.741  -3.911
  682    HA   ARG 103           HA       ARG 103  -7.492   6.368  -6.362
  683   1HB   ARG 103           HB2      ARG 103  -9.289   5.378  -7.260
  684   2HB   ARG 103           HB1      ARG 103  -8.945   4.071  -6.142
  685   1HG   ARG 103           HG2      ARG 103 -11.160   4.377  -5.730
  686   2HG   ARG 103           HG1      ARG 103 -10.484   5.486  -4.535
  687   1HD   ARG 103           HD2      ARG 103 -11.668   7.126  -5.462
  688   2HD   ARG 103           HD1      ARG 103 -10.699   6.948  -6.923
  689    HE   ARG 103           HE       ARG 103 -12.858   5.069  -6.776
  690   1HH1  ARG 103          1HH1      ARG 103 -11.995   8.332  -7.664
  691   2HH1  ARG 103          2HH1      ARG 103 -13.288   8.498  -8.803
  692   1HH2  ARG 103          1HH2      ARG 103 -14.561   5.285  -8.278
  693   2HH2  ARG 103          2HH2      ARG 103 -14.745   6.769  -9.152
  694    H    VAL 104           HN       VAL 104  -9.151   8.053  -6.477
  695    HA   VAL 104           HA       VAL 104 -10.059   9.049  -3.883
  696    HB   VAL 104           HB       VAL 104  -9.279  11.382  -5.147
  697   1HG1  VAL 104          2HG1      VAL 104  -8.504   9.801  -2.839
  698   2HG1  VAL 104          1HG1      VAL 104  -7.258  10.910  -3.412
  699   3HG1  VAL 104          3HG1      VAL 104  -8.859  11.518  -3.009
  700   1HG2  VAL 104          1HG2      VAL 104  -7.942  10.138  -6.788
  701   2HG2  VAL 104          3HG2      VAL 104  -6.913  11.088  -5.719
  702   3HG2  VAL 104          2HG2      VAL 104  -7.063   9.348  -5.481
  703    H    GLY 105           HN       GLY 105 -11.953  10.273  -3.963
  704   1HA   GLY 105           HA1      GLY 105 -13.923   9.762  -5.681
  705   2HA   GLY 105           HA2      GLY 105 -13.035  10.985  -6.577
  706    H    SER 106           HN       SER 106 -15.410  11.813  -6.236
  707    HA   SER 106           HA       SER 106 -15.311  14.143  -4.789
  708   1HB   SER 106           HB2      SER 106 -17.053  13.323  -6.537
  709   2HB   SER 106           HB1      SER 106 -17.928  12.700  -5.138
  710    HG   SER 106           HG       SER 106 -17.341  15.357  -5.837
  711    H    SER 107           HN       SER 107 -16.344  10.957  -3.717
  712    HA   SER 107           HA       SER 107 -17.288  11.867  -1.159
  713   1HB   SER 107           HB2      SER 107 -17.700   9.595  -2.619
  714   2HB   SER 107           HB1      SER 107 -16.539   9.026  -1.420
  715    HG   SER 107           HG       SER 107 -17.933   9.609   0.197
  716    H    ASP 108           HN       ASP 108 -14.285  10.746  -2.493
  717    HA   ASP 108           HA       ASP 108 -12.987  11.230   0.067
  718   1HB   ASP 108           HB2      ASP 108 -12.859   8.784  -1.619
  719   2HB   ASP 108           HB1      ASP 108 -11.376   9.305  -0.826
  720    H    TRP 109           HN       TRP 109 -12.717  13.301  -1.081
  721    HA   TRP 109           HA       TRP 109 -11.403  13.743  -3.424
  722   1HB   TRP 109           HB2      TRP 109 -10.932  15.931  -2.647
  723   2HB   TRP 109           HB1      TRP 109 -12.448  15.435  -1.912
  724    HD1  TRP 109           HD1      TRP 109 -12.629  15.827   0.612
  725    HE1  TRP 109           HE1      TRP 109 -10.969  16.351   2.509
  726    HE3  TRP 109           HE3      TRP 109  -8.268  15.348  -1.988
  727    HZ2  TRP 109           HZ2      TRP 109  -8.170  16.540   2.850
  728    HZ3  TRP 109           HZ3      TRP 109  -6.137  15.711  -0.804
  729    HH2  TRP 109           HH2      TRP 109  -6.093  16.296   1.558
  730    H    GLY 110           HN       GLY 110  -9.237  14.281  -4.013
  731   1HA   GLY 110           HA1      GLY 110  -7.232  12.798  -4.028
  732   2HA   GLY 110           HA2      GLY 110  -7.223  12.980  -2.284
  733    H    TYR 111           HN       TYR 111  -5.052  13.601  -2.536
  734    HA   TYR 111           HA       TYR 111  -3.865  15.559  -3.951
  735   1HB   TYR 111           HB2      TYR 111  -5.825  16.772  -2.222
  736   2HB   TYR 111           HB1      TYR 111  -4.218  17.276  -1.717
  737    HD1  TYR 111           HD1      TYR 111  -6.891  17.938  -3.907
  738    HD2  TYR 111           HD2      TYR 111  -2.646  18.091  -3.663
  739    HE1  TYR 111           HE1      TYR 111  -6.853  19.583  -5.731
  740    HE2  TYR 111           HE2      TYR 111  -2.596  19.741  -5.487
  741    HH   TYR 111           HH       TYR 111  -4.863  21.561  -6.387
  742    H    MET 112           HN       MET 112  -2.865  13.397  -3.041
  743    HA   MET 112           HA       MET 112  -1.032  14.192  -0.886
  744   1HB   MET 112           HB2      MET 112  -1.203  11.995   0.148
  745   2HB   MET 112           HB1      MET 112  -2.794  12.741   0.080
  746   1HG   MET 112           HG2      MET 112  -3.494  10.811  -0.776
  747   2HG   MET 112           HG1      MET 112  -2.702  11.321  -2.265
  748   1HE   MET 112           HE1      MET 112  -3.015   8.735  -2.662
  749   2HE   MET 112           HE3      MET 112  -1.857   7.517  -2.119
  750   3HE   MET 112           HE2      MET 112  -3.178   8.019  -1.060
  751    H    ASN 113           HN       ASN 113   0.547  12.031  -0.731
  752    HA   ASN 113           HA       ASN 113   1.514  11.643  -3.481
  753   1HB   ASN 113           HB2      ASN 113   3.103  11.982  -0.933
  754   2HB   ASN 113           HB1      ASN 113   3.804  11.475  -2.467
  755   1HD2  ASN 113          1HD2      ASN 113   4.724  13.701  -1.198
  756   2HD2  ASN 113          2HD2      ASN 113   4.279  15.113  -2.088
  757    H    VAL 114           HN       VAL 114   1.787   9.602  -4.141
  758    HA   VAL 114           HA       VAL 114   1.390   7.476  -2.155
  759    HB   VAL 114           HB       VAL 114   1.232   7.119  -5.142
  760   1HG1  VAL 114          1HG1      VAL 114   1.433   5.212  -3.382
  761   2HG1  VAL 114          3HG1      VAL 114  -0.269   5.560  -3.088
  762   3HG1  VAL 114          2HG1      VAL 114   0.265   5.075  -4.697
  763   1HG2  VAL 114          1HG2      VAL 114  -0.603   8.554  -3.428
  764   2HG2  VAL 114          3HG2      VAL 114  -0.615   8.362  -5.181
  765   3HG2  VAL 114          2HG2      VAL 114  -1.378   7.144  -4.158
  766    H    HIS 115           HN       HIS 115   3.532   7.429  -1.419
  767    HA   HIS 115           HA       HIS 115   5.843   7.321  -2.922
  768   1HB   HIS 115           HB2      HIS 115   5.259   7.134  -0.253
  769   2HB   HIS 115           HB1      HIS 115   5.851   5.512  -0.602
  770    HD1  HIS 115           HD1      HIS 115   8.207   5.823  -2.286
  771    HD2  HIS 115           HD2      HIS 115   7.313   8.614   0.660
  772    HE1  HIS 115           HE1      HIS 115  10.379   6.983  -1.776
  773    HE2  HIS 115           HE2      HIS 115   9.800   8.715  -0.041
  774    H    SER 116           HN       SER 116   4.002   4.534  -1.668
  775    HA   SER 116           HA       SER 116   4.051   3.038  -3.991
  776   1HB   SER 116           HB2      SER 116   5.888   1.349  -2.892
  777   2HB   SER 116           HB1      SER 116   6.246   2.525  -4.154
  778    HG   SER 116           HG       SER 116   7.654   3.159  -2.700
  779    H    LEU 117           HN       LEU 117   3.202   0.953  -3.759
  780    HA   LEU 117           HA       LEU 117   1.758   0.534  -1.263
  781   1HB   LEU 117           HB2      LEU 117   1.060   0.276  -3.885
  782   2HB   LEU 117           HB1      LEU 117   1.444  -1.376  -3.485
  783    HG   LEU 117           HG       LEU 117  -0.412   0.110  -1.695
  784   1HD1  LEU 117          3HD1      LEU 117  -0.998  -0.757  -4.486
  785   2HD1  LEU 117          2HD1      LEU 117  -2.251  -0.824  -3.248
  786   3HD1  LEU 117          1HD1      LEU 117  -1.481   0.715  -3.642
  787   1HD2  LEU 117          2HD2      LEU 117   0.509  -2.554  -1.999
  788   2HD2  LEU 117          1HD2      LEU 117  -0.654  -1.943  -0.832
  789   3HD2  LEU 117          3HD2      LEU 117  -1.208  -2.541  -2.395
  790    H    LYS 118           HN       LYS 118   2.495  -0.853   0.247
  791    HA   LYS 118           HA       LYS 118   4.371  -2.955  -0.621
  792   1HB   LYS 118           HB2      LYS 118   5.495  -1.138   0.616
  793   2HB   LYS 118           HB1      LYS 118   4.427  -1.423   1.982
  794   1HG   LYS 118           HG2      LYS 118   5.340  -3.804   1.981
  795   2HG   LYS 118           HG1      LYS 118   6.599  -3.187   0.910
  796   1HD   LYS 118           HD2      LYS 118   7.557  -2.986   3.020
  797   2HD   LYS 118           HD1      LYS 118   6.926  -1.368   2.714
  798   1HE   LYS 118           HE2      LYS 118   6.476  -2.319   5.011
  799   2HE   LYS 118           HE1      LYS 118   5.070  -1.719   4.132
  800   1HZ   LYS 118           HZ3      LYS 118   5.810  -4.566   3.976
  801   2HZ   LYS 118           HZ2      LYS 118   4.937  -3.989   5.303
  802   3HZ   LYS 118           HZ1      LYS 118   4.298  -3.843   3.745
  803    H    LEU 119           HN       LEU 119   4.108  -4.981   0.145
  804    HA   LEU 119           HA       LEU 119   1.936  -5.423   2.092
  805   1HB   LEU 119           HB2      LEU 119   2.307  -6.560  -0.587
  806   2HB   LEU 119           HB1      LEU 119   2.042  -7.765   0.651
  807    HG   LEU 119           HG       LEU 119   0.141  -5.581   0.887
  808   1HD1  LEU 119          2HD1      LEU 119   0.652  -6.666  -1.786
  809   2HD1  LEU 119          1HD1      LEU 119  -1.031  -6.746  -1.266
  810   3HD1  LEU 119          3HD1      LEU 119  -0.191  -5.196  -1.294
  811   1HD2  LEU 119          2HD2      LEU 119   0.074  -8.566   0.672
  812   2HD2  LEU 119          1HD2      LEU 119  -0.379  -7.534   2.028
  813   3HD2  LEU 119          3HD2      LEU 119  -1.415  -7.624   0.603
  814    H    GLU 120           HN       GLU 120   2.478  -6.576   3.820
  815    HA   GLU 120           HA       GLU 120   5.048  -8.013   3.771
  816   1HB   GLU 120           HB2      GLU 120   4.728  -5.977   5.319
  817   2HB   GLU 120           HB1      GLU 120   3.681  -7.027   6.265
  818   1HG   GLU 120           HG2      GLU 120   6.187  -8.322   5.680
  819   2HG   GLU 120           HG1      GLU 120   6.442  -6.766   6.468
  820    H    LEU 121           HN       LEU 121   4.646 -10.113   3.481
  821    HA   LEU 121           HA       LEU 121   2.291 -11.473   3.980
  822   1HB   LEU 121           HB2      LEU 121   5.145 -12.412   3.858
  823   2HB   LEU 121           HB1      LEU 121   3.824 -13.532   4.106
  824    HG   LEU 121           HG       LEU 121   4.874 -12.730   1.668
  825   1HD1  LEU 121          1HD1      LEU 121   2.618 -14.325   2.644
  826   2HD1  LEU 121          3HD1      LEU 121   2.480 -13.782   0.971
  827   3HD1  LEU 121          2HD1      LEU 121   3.880 -14.726   1.479
  828   1HD2  LEU 121          3HD2      LEU 121   3.719 -10.582   1.810
  829   2HD2  LEU 121          2HD2      LEU 121   3.059 -11.579   0.515
  830   3HD2  LEU 121          1HD2      LEU 121   2.183 -11.418   2.036
  831    H    LEU 122           HN       LEU 122   1.422 -10.917   5.965
  832    HA   LEU 122           HA       LEU 122   2.566 -10.828   8.434
  833   1HB   LEU 122           HB2      LEU 122   0.060 -10.571   7.548
  834   2HB   LEU 122           HB1      LEU 122  -0.083 -12.169   8.245
  835    HG   LEU 122           HG       LEU 122  -0.701 -10.049   9.645
  836   1HD1  LEU 122          3HD1      LEU 122   0.298 -12.659  10.304
  837   2HD1  LEU 122          2HD1      LEU 122   0.737 -11.498  11.557
  838   3HD1  LEU 122          1HD1      LEU 122  -0.953 -11.702  11.097
  839   1HD2  LEU 122          2HD2      LEU 122   1.715  -9.168   9.166
  840   2HD2  LEU 122          1HD2      LEU 122   0.965  -8.911  10.741
  841   3HD2  LEU 122          3HD2      LEU 122   2.144 -10.204  10.525
  842    H    GLY 123           HN       GLY 123   2.397 -12.348  10.269
  843   1HA   GLY 123           HA1      GLY 123   2.767 -14.387  11.278
  844   2HA   GLY 123           HA2      GLY 123   3.920 -14.596   9.971

  No H/Q in entry =         844
  Start of MODEL    3
    1    H    SER   8           HN       SER   8   8.752  -8.472   1.963
    2    HA   SER   8           HA       SER   8   6.161  -7.296   2.541
    3   1HB   SER   8           HB2      SER   8   6.938  -5.075   2.906
    4   2HB   SER   8           HB1      SER   8   7.904  -6.102   3.965
    5    HG   SER   8           HG       SER   8   9.523  -5.167   3.008
    6    H    TRP   9           HN       TRP   9   5.273  -7.516   0.593
    7    HA   TRP   9           HA       TRP   9   6.748  -7.351  -1.849
    8   1HB   TRP   9           HB2      TRP   9   3.942  -7.849  -1.035
    9   2HB   TRP   9           HB1      TRP   9   4.153  -7.142  -2.633
   10    HD1  TRP   9           HD1      TRP   9   3.560  -9.217  -4.083
   11    HE1  TRP   9           HE1      TRP   9   4.616 -11.536  -4.414
   12    HE3  TRP   9           HE3      TRP   9   6.877  -9.158  -0.201
   13    HZ2  TRP   9           HZ2      TRP   9   6.599 -13.129  -3.196
   14    HZ3  TRP   9           HZ3      TRP   9   8.321 -11.120   0.145
   15    HH2  TRP   9           HH2      TRP   9   8.182 -13.062  -1.328
   16    H    THR  10           HN       THR  10   7.604  -5.369  -2.356
   17    HA   THR  10           HA       THR  10   5.843  -3.034  -2.077
   18    HB   THR  10           HB       THR  10   8.619  -2.544  -2.912
   19    HG1  THR  10           HG1      THR  10   8.078  -3.457  -0.278
   20   1HG2  THR  10          1HG2      THR  10   6.535  -1.179  -1.555
   21   2HG2  THR  10          3HG2      THR  10   7.958  -1.232  -0.512
   22   3HG2  THR  10          2HG2      THR  10   8.081  -0.561  -2.141
   23    H    TYR  11           HN       TYR  11   4.607  -3.088  -3.876
   24    HA   TYR  11           HA       TYR  11   5.839  -3.430  -6.476
   25   1HB   TYR  11           HB2      TYR  11   3.025  -2.479  -6.069
   26   2HB   TYR  11           HB1      TYR  11   3.681  -3.492  -7.352
   27    HD1  TYR  11           HD1      TYR  11   1.767  -3.470  -4.407
   28    HD2  TYR  11           HD2      TYR  11   4.566  -5.845  -6.559
   29    HE1  TYR  11           HE1      TYR  11   0.966  -5.473  -3.227
   30    HE2  TYR  11           HE2      TYR  11   3.771  -7.853  -5.388
   31    HH   TYR  11           HH       TYR  11   0.912  -7.903  -3.551
   32    H    THR  12           HN       THR  12   6.991  -1.742  -7.234
   33    HA   THR  12           HA       THR  12   6.835   0.856  -6.286
   34    HB   THR  12           HB       THR  12   7.931   1.440  -8.557
   35    HG1  THR  12           HG1      THR  12   7.445  -0.174  -9.886
   36   1HG2  THR  12          3HG2      THR  12   8.951   0.102  -6.266
   37   2HG2  THR  12          2HG2      THR  12   9.759  -0.527  -7.703
   38   3HG2  THR  12          1HG2      THR  12   9.776   1.205  -7.371
   39    H    ALA  13           HN       ALA  13   5.539   2.568  -6.701
   40    HA   ALA  13           HA       ALA  13   3.041   2.241  -7.869
   41   1HB   ALA  13           HB2      ALA  13   4.569   4.480  -6.770
   42   2HB   ALA  13           HB1      ALA  13   3.340   4.935  -7.948
   43   3HB   ALA  13           HB3      ALA  13   2.886   4.012  -6.515
   44    H    ALA  14           HN       ALA  14   6.036   2.963  -9.428
   45    HA   ALA  14           HA       ALA  14   4.870   4.204 -11.720
   46   1HB   ALA  14           HB3      ALA  14   6.965   4.739 -12.108
   47   2HB   ALA  14           HB1      ALA  14   7.351   3.048 -12.428
   48   3HB   ALA  14           HB2      ALA  14   7.496   3.691 -10.791
   49    H    SER  15           HN       SER  15   5.277   0.959 -10.668
   50    HA   SER  15           HA       SER  15   4.928  -0.184 -13.307
   51   1HB   SER  15           HB2      SER  15   5.185  -2.294 -12.282
   52   2HB   SER  15           HB1      SER  15   6.252  -1.239 -11.356
   53    HG   SER  15           HG       SER  15   4.741  -1.160  -9.728
   54    H    ALA  16           HN       ALA  16   2.954   1.355 -11.186
   55    HA   ALA  16           HA       ALA  16   0.612  -0.338 -11.600
   56   1HB   ALA  16           HB3      ALA  16   1.113   0.609  -9.353
   57   2HB   ALA  16           HB1      ALA  16  -0.476   1.058  -9.969
   58   3HB   ALA  16           HB2      ALA  16   0.849   2.220 -10.018
   59    H    SER  17           HN       SER  17  -1.356   1.654 -11.574
   60    HA   SER  17           HA       SER  17  -0.939   2.912 -14.203
   61   1HB   SER  17           HB2      SER  17  -3.236   1.460 -13.013
   62   2HB   SER  17           HB1      SER  17  -3.626   2.873 -13.992
   63    HG   SER  17           HG       SER  17  -2.326   1.917 -15.662
   64    H    ILE  18           HN       ILE  18  -0.391   4.966 -13.800
   65    HA   ILE  18           HA       ILE  18  -1.562   6.461 -11.621
   66    HB   ILE  18           HB       ILE  18   0.636   6.890 -13.569
   67   1HG1  ILE  18          2HG1      ILE  18   1.775   7.753 -11.569
   68   2HG1  ILE  18          1HG1      ILE  18   0.268   7.590 -10.648
   69   1HG2  ILE  18          2HG2      ILE  18  -1.032   9.109 -12.503
   70   2HG2  ILE  18          1HG2      ILE  18   0.696   9.320 -12.770
   71   3HG2  ILE  18          3HG2      ILE  18  -0.356   8.891 -14.117
   72   1HD1  ILE  18          1HD1      ILE  18   0.472   5.130 -11.531
   73   2HD1  ILE  18          3HD1      ILE  18   2.173   5.573 -11.608
   74   3HD1  ILE  18          2HD1      ILE  18   1.304   5.683 -10.078
   75    H    THR  19           HN       THR  19  -3.676   6.971 -11.929
   76    HA   THR  19           HA       THR  19  -4.533   7.965 -14.543
   77    HB   THR  19           HB       THR  19  -6.201   7.354 -12.097
   78    HG1  THR  19           HG1      THR  19  -6.214   5.351 -12.711
   79   1HG2  THR  19          1HG2      THR  19  -6.981   7.724 -14.978
   80   2HG2  THR  19          3HG2      THR  19  -8.049   7.143 -13.699
   81   3HG2  THR  19          2HG2      THR  19  -7.394   8.779 -13.625
   82    H    ALA  20           HN       ALA  20  -4.784  10.068 -14.940
   83    HA   ALA  20           HA       ALA  20  -4.000  12.129 -13.339
   84   1HB   ALA  20           HB3      ALA  20  -4.323  12.878 -15.450
   85   2HB   ALA  20           HB1      ALA  20  -5.852  13.429 -14.764
   86   3HB   ALA  20           HB2      ALA  20  -5.788  11.925 -15.684
   87    HA   PRO  21           HA       PRO  21  -4.474  14.366 -12.809
   88   1HB   PRO  21           HB2      PRO  21  -4.197  15.500 -10.395
   89   2HB   PRO  21           HB1      PRO  21  -5.586  15.863 -11.431
   90   1HG   PRO  21           HG2      PRO  21  -5.393  13.872  -9.173
   91   2HG   PRO  21           HG1      PRO  21  -6.617  15.142  -9.435
   92   1HD   PRO  21           HD2      PRO  21  -7.085  12.615 -10.165
   93   2HD   PRO  21           HD1      PRO  21  -7.649  13.969 -11.160
   94    H    ALA  22           HN       ALA  22  -4.293  11.506 -11.196
   95    HA   ALA  22           HA       ALA  22  -2.022  11.722  -9.585
   96   1HB   ALA  22           HB2      ALA  22  -3.690   9.734 -10.010
   97   2HB   ALA  22           HB3      ALA  22  -2.033   9.433  -9.474
   98   3HB   ALA  22           HB1      ALA  22  -2.461   9.244 -11.175
   99    H    GLN  23           HN       GLN  23   0.151  11.486  -9.976
  100    HA   GLN  23           HA       GLN  23   1.072  11.145 -12.717
  101   1HB   GLN  23           HB2      GLN  23   2.412  13.188 -12.685
  102   2HB   GLN  23           HB1      GLN  23   0.698  13.552 -12.530
  103   1HG   GLN  23           HG2      GLN  23   1.626  13.287  -9.916
  104   2HG   GLN  23           HG1      GLN  23   2.879  14.190 -10.767
  105   1HE2  GLN  23          1HE2      GLN  23  -0.505  14.129  -9.882
  106   2HE2  GLN  23          2HE2      GLN  23  -0.788  15.821 -10.083
  107    H    LEU  24           HN       LEU  24   2.658   9.723 -12.658
  108    HA   LEU  24           HA       LEU  24   4.044   9.113 -10.223
  109   1HB   LEU  24           HB2      LEU  24   3.411   7.777 -12.577
  110   2HB   LEU  24           HB1      LEU  24   5.150   7.958 -12.651
  111    HG   LEU  24           HG       LEU  24   4.145   5.834 -11.612
  112   1HD1  LEU  24          1HD1      LEU  24   6.543   6.625 -11.582
  113   2HD1  LEU  24          3HD1      LEU  24   6.213   7.272  -9.976
  114   3HD1  LEU  24          2HD1      LEU  24   6.070   5.540 -10.273
  115   1HD2  LEU  24          2HD2      LEU  24   2.832   7.552  -9.994
  116   2HD2  LEU  24          1HD2      LEU  24   3.174   5.870  -9.597
  117   3HD2  LEU  24          3HD2      LEU  24   4.229   7.148  -8.996
  118    H    VAL  25           HN       VAL  25   5.687  10.279  -9.513
  119    HA   VAL  25           HA       VAL  25   7.638  11.309 -11.466
  120    HB   VAL  25           HB       VAL  25   8.098  13.126  -9.746
  121   1HG1  VAL  25          3HG1      VAL  25   6.486  13.093 -11.908
  122   2HG1  VAL  25          2HG1      VAL  25   5.339  13.590 -10.663
  123   3HG1  VAL  25          1HG1      VAL  25   6.804  14.533 -10.939
  124   1HG2  VAL  25          1HG2      VAL  25   6.456  11.689  -8.138
  125   2HG2  VAL  25          3HG2      VAL  25   6.824  13.399  -7.913
  126   3HG2  VAL  25          2HG2      VAL  25   5.344  12.917  -8.743
  127    H    GLY  26           HN       GLY  26   9.464  10.181 -11.272
  128   1HA   GLY  26           HA1      GLY  26  11.002  10.104  -8.939
  129   2HA   GLY  26           HA2      GLY  26  11.249   9.077 -10.344
  130    H    ASN  27           HN       ASN  27   8.758   7.725 -10.269
  131    HA   ASN  27           HA       ASN  27   7.919   5.778  -9.446
  132   1HB   ASN  27           HB2      ASN  27  10.177   5.768  -7.441
  133   2HB   ASN  27           HB1      ASN  27   9.237   4.391  -8.009
  134   1HD2  ASN  27          1HD2      ASN  27   9.626   3.560 -10.067
  135   2HD2  ASN  27          2HD2      ASN  27  11.078   3.913 -10.934
  136    H    VAL  28           HN       VAL  28   7.030   8.310  -8.481
  137    HA   VAL  28           HA       VAL  28   6.045   7.492  -5.830
  138    HB   VAL  28           HB       VAL  28   6.692  10.343  -6.579
  139   1HG1  VAL  28          2HG1      VAL  28   5.487   9.010  -4.225
  140   2HG1  VAL  28          1HG1      VAL  28   6.602  10.342  -3.915
  141   3HG1  VAL  28          3HG1      VAL  28   5.171  10.603  -4.913
  142   1HG2  VAL  28          2HG2      VAL  28   8.364   8.211  -5.409
  143   2HG2  VAL  28          1HG2      VAL  28   8.826   9.641  -6.332
  144   3HG2  VAL  28          3HG2      VAL  28   8.440   9.785  -4.618
  145    H    GLY  29           HN       GLY  29   3.978   6.958  -6.263
  146   1HA   GLY  29           HA1      GLY  29   1.813   7.109  -7.046
  147   2HA   GLY  29           HA2      GLY  29   2.390   8.247  -8.254
  148    H    GLU  30           HN       GLU  30   2.575  10.472  -7.686
  149    HA   GLU  30           HA       GLU  30   1.365  11.321  -5.192
  150   1HB   GLU  30           HB2      GLU  30   2.537  12.927  -7.466
  151   2HB   GLU  30           HB1      GLU  30   1.974  13.597  -5.941
  152   1HG   GLU  30           HG2      GLU  30   3.659  12.127  -4.796
  153   2HG   GLU  30           HG1      GLU  30   4.305  11.756  -6.394
  154    H    LEU  31           HN       LEU  31  -0.812  11.033  -5.216
  155    HA   LEU  31           HA       LEU  31  -2.369  11.697  -7.546
  156   1HB   LEU  31           HB2      LEU  31  -3.307  11.047  -4.750
  157   2HB   LEU  31           HB1      LEU  31  -4.317  11.159  -6.187
  158    HG   LEU  31           HG       LEU  31  -2.052   9.192  -6.078
  159   1HD1  LEU  31          3HD1      LEU  31  -4.173   9.176  -4.245
  160   2HD1  LEU  31          2HD1      LEU  31  -4.580   7.970  -5.464
  161   3HD1  LEU  31          1HD1      LEU  31  -3.048   7.863  -4.597
  162   1HD2  LEU  31          2HD2      LEU  31  -3.758   9.959  -8.050
  163   2HD2  LEU  31          1HD2      LEU  31  -2.935   8.402  -7.984
  164   3HD2  LEU  31          3HD2      LEU  31  -4.592   8.553  -7.388
  165    H    GLN  32           HN       GLN  32  -3.934  13.394  -7.653
  166    HA   GLN  32           HA       GLN  32  -3.509  15.577  -5.716
  167   1HB   GLN  32           HB2      GLN  32  -3.153  15.532  -8.608
  168   2HB   GLN  32           HB1      GLN  32  -4.251  16.806  -8.096
  169   1HG   GLN  32           HG2      GLN  32  -1.891  17.522  -8.268
  170   2HG   GLN  32           HG1      GLN  32  -2.590  17.756  -6.669
  171   1HE2  GLN  32          1HE2      GLN  32  -1.371  14.789  -8.135
  172   2HE2  GLN  32          2HE2      GLN  32  -0.116  14.520  -6.980
  173    H    GLY  33           HN       GLY  33  -5.311  16.615  -4.973
  174   1HA   GLY  33           HA1      GLY  33  -7.746  17.020  -6.095
  175   2HA   GLY  33           HA2      GLY  33  -7.559  16.696  -4.378
  176    H    ALA  34           HN       ALA  34  -9.804  15.947  -6.041
  177    HA   ALA  34           HA       ALA  34  -9.759  13.089  -5.482
  178   1HB   ALA  34           HB1      ALA  34 -12.192  14.343  -6.611
  179   2HB   ALA  34           HB3      ALA  34 -12.017  13.162  -5.312
  180   3HB   ALA  34           HB2      ALA  34 -11.690  14.869  -5.004
  181    H    GLY  35           HN       GLY  35 -11.073  11.742  -7.203
  182   1HA   GLY  35           HA1      GLY  35 -10.625  12.621  -9.938
  183   2HA   GLY  35           HA2      GLY  35 -11.469  11.167  -9.437
  184    H    SER  36           HN       SER  36  -8.276  11.929  -8.220
  185    HA   SER  36           HA       SER  36  -6.795  10.525 -10.171
  186   1HB   SER  36           HB2      SER  36  -5.589  10.551  -7.516
  187   2HB   SER  36           HB1      SER  36  -5.029  11.303  -9.010
  188    HG   SER  36           HG       SER  36  -6.263  12.419  -6.895
  189    H    ALA  37           HN       ALA  37  -5.504   8.528  -9.701
  190    HA   ALA  37           HA       ALA  37  -6.386   6.745  -7.688
  191   1HB   ALA  37           HB1      ALA  37  -7.294   6.015 -10.451
  192   2HB   ALA  37           HB2      ALA  37  -8.342   6.752  -9.240
  193   3HB   ALA  37           HB3      ALA  37  -7.630   5.164  -8.941
  194    H    VAL  38           HN       VAL  38  -4.385   6.059  -7.237
  195    HA   VAL  38           HA       VAL  38  -2.594   5.199  -9.376
  196    HB   VAL  38           HB       VAL  38  -1.653   4.463  -6.726
  197   1HG1  VAL  38          1HG1      VAL  38  -0.503   5.069  -9.042
  198   2HG1  VAL  38          3HG1      VAL  38  -0.391   6.654  -8.265
  199   3HG1  VAL  38          2HG1      VAL  38   0.329   5.231  -7.493
  200   1HG2  VAL  38          3HG2      VAL  38  -3.101   6.406  -6.052
  201   2HG2  VAL  38          2HG2      VAL  38  -1.388   6.574  -5.685
  202   3HG2  VAL  38          1HG2      VAL  38  -2.073   7.416  -7.068
  203    H    ILE  39           HN       ILE  39  -3.772   3.442 -10.187
  204    HA   ILE  39           HA       ILE  39  -4.531   1.326  -8.356
  205    HB   ILE  39           HB       ILE  39  -4.852   1.345 -11.353
  206   1HG1  ILE  39          2HG1      ILE  39  -5.943   3.319 -10.408
  207   2HG1  ILE  39          1HG1      ILE  39  -7.146   2.148 -10.936
  208   1HG2  ILE  39          2HG2      ILE  39  -5.063  -0.842 -10.271
  209   2HG2  ILE  39          1HG2      ILE  39  -6.298  -0.187  -9.195
  210   3HG2  ILE  39          3HG2      ILE  39  -6.603  -0.290 -10.929
  211   1HD1  ILE  39          3HD1      ILE  39  -7.044   1.373  -8.443
  212   2HD1  ILE  39          2HD1      ILE  39  -6.402   2.995  -8.186
  213   3HD1  ILE  39          1HD1      ILE  39  -7.995   2.782  -8.912
  214    H    TRP  40           HN       TRP  40  -3.116  -0.125  -7.774
  215    HA   TRP  40           HA       TRP  40  -0.805  -0.768  -9.385
  216   1HB   TRP  40           HB2      TRP  40  -1.667  -1.132  -6.613
  217   2HB   TRP  40           HB1      TRP  40  -0.838  -2.539  -7.266
  218    HD1  TRP  40           HD1      TRP  40   1.703  -2.040  -8.270
  219    HE1  TRP  40           HE1      TRP  40   3.484  -0.415  -7.381
  220    HE3  TRP  40           HE3      TRP  40  -1.291   1.041  -5.504
  221    HZ2  TRP  40           HZ2      TRP  40   3.608   1.859  -5.714
  222    HZ3  TRP  40           HZ3      TRP  40  -0.263   2.917  -4.294
  223    HH2  TRP  40           HH2      TRP  40   2.134   3.316  -4.391
  224    H    ASN  41           HN       ASN  41  -0.327  -2.819 -10.231
  225    HA   ASN  41           HA       ASN  41  -2.610  -4.671 -10.427
  226   1HB   ASN  41           HB2      ASN  41  -1.404  -3.215 -12.526
  227   2HB   ASN  41           HB1      ASN  41  -0.882  -4.886 -12.720
  228   1HD2  ASN  41          1HD2      ASN  41  -3.501  -2.673 -12.891
  229   2HD2  ASN  41          2HD2      ASN  41  -4.678  -3.773 -13.514
  230    H    VAL  42           HN       VAL  42  -2.102  -6.457  -9.338
  231    HA   VAL  42           HA       VAL  42   0.417  -7.794  -9.913
  232    HB   VAL  42           HB       VAL  42   1.056  -8.097  -7.608
  233   1HG1  VAL  42          2HG1      VAL  42   0.499  -5.196  -8.215
  234   2HG1  VAL  42          1HG1      VAL  42   1.640  -5.787  -7.011
  235   3HG1  VAL  42          3HG1      VAL  42   1.915  -6.118  -8.721
  236   1HG2  VAL  42          1HG2      VAL  42  -1.596  -6.884  -7.081
  237   2HG2  VAL  42          3HG2      VAL  42  -0.744  -8.165  -6.221
  238   3HG2  VAL  42          2HG2      VAL  42  -0.292  -6.480  -5.964
  239    H    ASP  43           HN       ASP  43   0.419  -9.852  -8.259
  240    HA   ASP  43           HA       ASP  43  -2.259 -11.035  -8.233
  241   1HB   ASP  43           HB2      ASP  43   0.167 -12.378  -9.449
  242   2HB   ASP  43           HB1      ASP  43  -1.424 -13.109  -9.252
  243    H    VAL  44           HN       VAL  44  -2.652 -12.077  -6.381
  244    HA   VAL  44           HA       VAL  44  -0.881 -12.065  -4.237
  245    HB   VAL  44           HB       VAL  44  -3.271 -13.863  -4.649
  246   1HG1  VAL  44          2HG1      VAL  44  -1.677 -13.192  -2.184
  247   2HG1  VAL  44          1HG1      VAL  44  -3.301 -13.875  -2.129
  248   3HG1  VAL  44          3HG1      VAL  44  -1.987 -14.785  -2.874
  249   1HG2  VAL  44          1HG2      VAL  44  -3.577 -11.333  -4.770
  250   2HG2  VAL  44          3HG2      VAL  44  -4.581 -12.214  -3.619
  251   3HG2  VAL  44          2HG2      VAL  44  -3.170 -11.320  -3.054
  252    HA   PRO  45           HA       PRO  45   1.800 -15.454  -5.393
  253   1HB   PRO  45           HB2      PRO  45   3.238 -15.521  -3.089
  254   2HB   PRO  45           HB1      PRO  45   3.485 -14.306  -4.349
  255   1HG   PRO  45           HG2      PRO  45   1.914 -14.100  -1.803
  256   2HG   PRO  45           HG1      PRO  45   3.052 -12.937  -2.512
  257   1HD   PRO  45           HD2      PRO  45   0.387 -12.644  -2.764
  258   2HD   PRO  45           HD1      PRO  45   1.507 -12.175  -4.059
  259    H    VAL  46           HN       VAL  46   0.499 -15.428  -2.050
  260    HA   VAL  46           HA       VAL  46  -0.341 -18.198  -2.435
  261    HB   VAL  46           HB       VAL  46   0.613 -18.236   0.181
  262   1HG1  VAL  46          3HG1      VAL  46   1.831 -19.366  -2.332
  263   2HG1  VAL  46          2HG1      VAL  46   2.194 -19.898  -0.691
  264   3HG1  VAL  46          1HG1      VAL  46   0.570 -20.110  -1.348
  265   1HG2  VAL  46          2HG2      VAL  46   2.559 -16.821  -1.626
  266   2HG2  VAL  46          1HG2      VAL  46   2.044 -16.377   0.002
  267   3HG2  VAL  46          3HG2      VAL  46   3.089 -17.776  -0.243
  268    H    THR  47           HN       THR  47  -1.446 -18.972  -0.301
  269    HA   THR  47           HA       THR  47  -3.531 -17.029   0.263
  270    HB   THR  47           HB       THR  47  -3.814 -19.543   1.670
  271    HG1  THR  47           HG1      THR  47  -3.054 -20.851   0.241
  272   1HG2  THR  47          2HG2      THR  47  -5.392 -17.817   0.002
  273   2HG2  THR  47          1HG2      THR  47  -5.601 -19.508  -0.451
  274   3HG2  THR  47          3HG2      THR  47  -5.903 -18.996   1.208
  275    H    GLY  48           HN       GLY  48  -2.747 -15.557   1.719
  276   1HA   GLY  48           HA1      GLY  48  -0.971 -15.769   3.730
  277   2HA   GLY  48           HA2      GLY  48  -2.399 -16.510   4.436
  278    H    GLU  49           HN       GLU  49  -1.697 -14.535   5.868
  279    HA   GLU  49           HA       GLU  49  -3.549 -12.382   5.164
  280   1HB   GLU  49           HB2      GLU  49  -3.894 -13.488   7.332
  281   2HB   GLU  49           HB1      GLU  49  -2.265 -13.037   7.819
  282   1HG   GLU  49           HG2      GLU  49  -2.860 -10.678   7.684
  283   2HG   GLU  49           HG1      GLU  49  -4.487 -11.120   7.154
  284    H    TYR  50           HN       TYR  50  -2.435 -10.964   3.894
  285    HA   TYR  50           HA       TYR  50   0.147 -10.004   4.890
  286   1HB   TYR  50           HB2      TYR  50  -1.087  -9.256   2.248
  287   2HB   TYR  50           HB1      TYR  50   0.604  -9.178   2.720
  288    HD1  TYR  50           HD1      TYR  50   0.195 -12.145   4.022
  289    HD2  TYR  50           HD2      TYR  50  -0.286 -10.376   0.183
  290    HE1  TYR  50           HE1      TYR  50   0.567 -14.337   2.971
  291    HE2  TYR  50           HE2      TYR  50   0.084 -12.562  -0.873
  292    HH   TYR  50           HH       TYR  50  -0.132 -14.957  -0.265
  293    H    ARG  51           HN       ARG  51   0.137  -8.210   6.061
  294    HA   ARG  51           HA       ARG  51  -2.217  -6.570   6.164
  295   1HB   ARG  51           HB2      ARG  51  -1.153  -5.423   7.975
  296   2HB   ARG  51           HB1      ARG  51  -0.849  -7.146   8.168
  297   1HG   ARG  51           HG2      ARG  51   1.399  -6.881   7.323
  298   2HG   ARG  51           HG1      ARG  51   1.104  -5.170   6.998
  299   1HD   ARG  51           HD2      ARG  51   0.405  -5.455   9.654
  300   2HD   ARG  51           HD1      ARG  51   1.809  -6.507   9.486
  301    HE   ARG  51           HE       ARG  51   2.358  -4.036   8.268
  302   1HH1  ARG  51          1HH1      ARG  51   1.882  -5.417  11.436
  303   2HH1  ARG  51          2HH1      ARG  51   2.886  -4.253  12.233
  304   1HH2  ARG  51          1HH2      ARG  51   3.680  -2.502   9.313
  305   2HH2  ARG  51          2HH2      ARG  51   3.907  -2.597  11.028
  306    H    ILE  52           HN       ILE  52  -2.573  -4.678   5.227
  307    HA   ILE  52           HA       ILE  52  -0.820  -3.820   3.137
  308    HB   ILE  52           HB       ILE  52  -3.362  -2.533   4.140
  309   1HG1  ILE  52          2HG1      ILE  52  -3.978  -4.691   3.427
  310   2HG1  ILE  52          1HG1      ILE  52  -4.283  -3.669   2.027
  311   1HG2  ILE  52          2HG2      ILE  52  -1.565  -1.322   2.575
  312   2HG2  ILE  52          1HG2      ILE  52  -2.444  -2.228   1.348
  313   3HG2  ILE  52          3HG2      ILE  52  -3.304  -1.085   2.382
  314   1HD1  ILE  52          2HD1      ILE  52  -1.852  -5.390   2.447
  315   2HD1  ILE  52          1HD1      ILE  52  -3.225  -5.776   1.408
  316   3HD1  ILE  52          3HD1      ILE  52  -2.190  -4.394   1.022
  317    H    ASN  53           HN       ASN  53   0.578  -2.251   3.109
  318    HA   ASN  53           HA       ASN  53   0.590  -0.258   5.260
  319   1HB   ASN  53           HB2      ASN  53   2.679  -2.195   4.565
  320   2HB   ASN  53           HB1      ASN  53   3.256  -0.531   4.594
  321   1HD2  ASN  53          1HD2      ASN  53   0.982  -2.462   6.517
  322   2HD2  ASN  53          2HD2      ASN  53   1.662  -2.048   8.049
  323    H    LEU  54           HN       LEU  54  -0.033   1.522   4.168
  324    HA   LEU  54           HA       LEU  54   1.059   1.947   1.492
  325   1HB   LEU  54           HB2      LEU  54  -1.409   2.738   2.862
  326   2HB   LEU  54           HB1      LEU  54  -0.678   4.040   1.949
  327    HG   LEU  54           HG       LEU  54  -2.099   1.636   1.008
  328   1HD1  LEU  54          2HD1      LEU  54  -2.980   3.884   0.712
  329   2HD1  LEU  54          1HD1      LEU  54  -1.547   4.335  -0.212
  330   3HD1  LEU  54          3HD1      LEU  54  -2.655   3.119  -0.847
  331   1HD2  LEU  54          1HD2      LEU  54   0.483   2.520  -0.246
  332   2HD2  LEU  54          3HD2      LEU  54  -0.084   0.883   0.094
  333   3HD2  LEU  54          2HD2      LEU  54  -0.814   1.820  -1.211
  334    H    THR  55           HN       THR  55   2.580   3.318   1.086
  335    HA   THR  55           HA       THR  55   3.554   5.023   3.254
  336    HB   THR  55           HB       THR  55   5.264   5.347   1.080
  337    HG1  THR  55           HG1      THR  55   4.205   3.598   0.047
  338   1HG2  THR  55          1HG2      THR  55   5.473   4.495   3.688
  339   2HG2  THR  55          3HG2      THR  55   6.036   3.115   2.748
  340   3HG2  THR  55          2HG2      THR  55   6.795   4.693   2.538
  341    H    TRP  56           HN       TRP  56   3.354   7.186   3.273
  342    HA   TRP  56           HA       TRP  56   2.911   8.662   0.836
  343   1HB   TRP  56           HB2      TRP  56   0.753   9.640   1.622
  344   2HB   TRP  56           HB1      TRP  56   0.652   7.925   1.234
  345    HD1  TRP  56           HD1      TRP  56   0.902   6.259   3.533
  346    HE1  TRP  56           HE1      TRP  56  -0.215   6.606   5.830
  347    HE3  TRP  56           HE3      TRP  56  -0.142  11.253   3.193
  348    HZ2  TRP  56           HZ2      TRP  56  -1.372   8.699   7.293
  349    HZ3  TRP  56           HZ3      TRP  56  -1.258  12.349   5.092
  350    HH2  TRP  56           HH2      TRP  56  -1.856  11.089   7.098
  351    H    SER  57           HN       SER  57   2.593  11.026   1.294
  352    HA   SER  57           HA       SER  57   3.532  11.991   3.869
  353   1HB   SER  57           HB2      SER  57   5.142  12.293   1.326
  354   2HB   SER  57           HB1      SER  57   5.372  13.324   2.737
  355    HG   SER  57           HG       SER  57   6.621  11.177   2.384
  356    H    SER  58           HN       SER  58   1.441  12.944   3.860
  357    HA   SER  58           HA       SER  58   1.167  15.226   2.012
  358   1HB   SER  58           HB2      SER  58  -0.622  13.782   1.502
  359   2HB   SER  58           HB1      SER  58  -0.892  13.378   3.198
  360    HG   SER  58           HG       SER  58  -1.749  15.409   3.525
  361    HA   PRO  59           HA       PRO  59   1.706  16.968   6.287
  362   1HB   PRO  59           HB2      PRO  59   2.893  19.178   4.733
  363   2HB   PRO  59           HB1      PRO  59   3.554  18.293   6.109
  364   1HG   PRO  59           HG2      PRO  59   4.515  17.964   3.623
  365   2HG   PRO  59           HG1      PRO  59   4.437  16.625   4.782
  366   1HD   PRO  59           HD2      PRO  59   2.634  17.246   2.477
  367   2HD   PRO  59           HD1      PRO  59   3.238  15.677   3.047
  368    H    TYR  60           HN       TYR  60  -0.591  17.291   6.379
  369    HA   TYR  60           HA       TYR  60  -1.369  20.014   5.638
  370   1HB   TYR  60           HB2      TYR  60  -2.306  17.687   4.300
  371   2HB   TYR  60           HB1      TYR  60  -3.646  18.330   5.245
  372    HD1  TYR  60           HD1      TYR  60  -0.931  19.622   3.012
  373    HD2  TYR  60           HD2      TYR  60  -5.013  19.849   4.191
  374    HE1  TYR  60           HE1      TYR  60  -1.330  21.322   1.282
  375    HE2  TYR  60           HE2      TYR  60  -5.423  21.550   2.463
  376    HH   TYR  60           HH       TYR  60  -3.937  22.064  -0.003
  377    H    SER  61           HN       SER  61  -3.220  17.255   6.892
  378    HA   SER  61           HA       SER  61  -3.157  17.819   9.596
  379   1HB   SER  61           HB2      SER  61  -4.086  19.974   9.300
  380   2HB   SER  61           HB1      SER  61  -5.251  19.396   8.109
  381    HG   SER  61           HG       SER  61  -6.418  18.440   9.712
  382    H    SER  62           HN       SER  62  -5.075  16.835   6.860
  383    HA   SER  62           HA       SER  62  -5.575  14.262   7.478
  384   1HB   SER  62           HB2      SER  62  -8.011  14.434   8.361
  385   2HB   SER  62           HB1      SER  62  -6.690  14.640   9.511
  386    HG   SER  62           HG       SER  62  -8.521  16.491   8.546
  387    H    LYS  63           HN       LYS  63  -6.829  13.266   5.912
  388    HA   LYS  63           HA       LYS  63  -8.399  14.987   4.120
  389   1HB   LYS  63           HB2      LYS  63  -6.833  12.891   2.757
  390   2HB   LYS  63           HB1      LYS  63  -7.193  14.535   2.252
  391   1HG   LYS  63           HG2      LYS  63  -5.468  15.065   4.226
  392   2HG   LYS  63           HG1      LYS  63  -4.884  13.468   3.756
  393   1HD   LYS  63           HD2      LYS  63  -3.887  14.321   1.960
  394   2HD   LYS  63           HD1      LYS  63  -5.408  15.027   1.409
  395   1HE   LYS  63           HE2      LYS  63  -5.023  17.024   2.637
  396   2HE   LYS  63           HE1      LYS  63  -3.670  16.305   3.508
  397   1HZ   LYS  63           HZ2      LYS  63  -3.309  16.251   0.668
  398   2HZ   LYS  63           HZ1      LYS  63  -3.494  17.825   1.260
  399   3HZ   LYS  63           HZ3      LYS  63  -2.273  16.826   1.874
  400    H    VAL  64           HN       VAL  64  -9.625  13.541   2.455
  401    HA   VAL  64           HA       VAL  64 -10.526  11.094   3.852
  402    HB   VAL  64           HB       VAL  64 -12.269  12.891   2.161
  403   1HG1  VAL  64          1HG1      VAL  64 -12.633  10.275   2.694
  404   2HG1  VAL  64          3HG1      VAL  64 -13.423  10.992   4.098
  405   3HG1  VAL  64          2HG1      VAL  64 -13.954  11.422   2.472
  406   1HG2  VAL  64          1HG2      VAL  64 -11.419  13.841   4.393
  407   2HG2  VAL  64          3HG2      VAL  64 -13.157  13.863   4.088
  408   3HG2  VAL  64          2HG2      VAL  64 -12.462  12.632   5.144
  409    H    ASN  65           HN       ASN  65  -9.125   9.782   2.593
  410    HA   ASN  65           HA       ASN  65  -9.827   9.679  -0.271
  411   1HB   ASN  65           HB2      ASN  65  -7.302   8.430   0.693
  412   2HB   ASN  65           HB1      ASN  65  -7.654   9.210  -0.844
  413   1HD2  ASN  65          1HD2      ASN  65  -8.677  11.628   0.172
  414   2HD2  ASN  65          2HD2      ASN  65  -7.374  12.500   0.896
  415    H    THR  66           HN       THR  66  -9.795   7.594  -1.300
  416    HA   THR  66           HA       THR  66 -10.635   5.456   0.537
  417    HB   THR  66           HB       THR  66 -11.264   5.861  -2.396
  418    HG1  THR  66           HG1      THR  66 -12.877   6.085  -0.075
  419   1HG2  THR  66          3HG2      THR  66 -12.094   3.687  -0.501
  420   2HG2  THR  66          2HG2      THR  66 -12.976   4.070  -1.979
  421   3HG2  THR  66          1HG2      THR  66 -11.299   3.529  -2.067
  422    H    LEU  67           HN       LEU  67  -9.037   4.077   0.926
  423    HA   LEU  67           HA       LEU  67  -6.875   3.683  -0.928
  424   1HB   LEU  67           HB2      LEU  67  -6.284   3.664   1.355
  425   2HB   LEU  67           HB1      LEU  67  -7.568   2.551   1.763
  426    HG   LEU  67           HG       LEU  67  -6.376   0.734   0.632
  427   1HD1  LEU  67          3HD1      LEU  67  -4.774   2.954  -0.357
  428   2HD1  LEU  67          2HD1      LEU  67  -3.818   1.619   0.287
  429   3HD1  LEU  67          1HD1      LEU  67  -4.984   1.327  -1.003
  430   1HD2  LEU  67          2HD2      LEU  67  -5.617   2.029   3.017
  431   2HD2  LEU  67          1HD2      LEU  67  -5.366   0.342   2.569
  432   3HD2  LEU  67          3HD2      LEU  67  -4.130   1.545   2.205
  433    H    VAL  68           HN       VAL  68  -6.847   2.281  -2.540
  434    HA   VAL  68           HA       VAL  68  -8.899   0.203  -2.669
  435    HB   VAL  68           HB       VAL  68  -6.975   1.101  -4.821
  436   1HG1  VAL  68          2HG1      VAL  68  -9.456  -0.606  -4.906
  437   2HG1  VAL  68          1HG1      VAL  68  -8.643   0.039  -6.333
  438   3HG1  VAL  68          3HG1      VAL  68  -7.804  -1.099  -5.278
  439   1HG2  VAL  68          1HG2      VAL  68  -8.837   2.709  -3.789
  440   2HG2  VAL  68          3HG2      VAL  68  -8.428   2.703  -5.503
  441   3HG2  VAL  68          2HG2      VAL  68  -9.843   1.821  -4.931
  442    H    MET  69           HN       MET  69  -8.220  -1.562  -1.556
  443    HA   MET  69           HA       MET  69  -5.639  -2.724  -2.370
  444   1HB   MET  69           HB2      MET  69  -6.569  -1.979   0.275
  445   2HB   MET  69           HB1      MET  69  -6.171  -3.689   0.201
  446   1HG   MET  69           HG2      MET  69  -4.349  -2.076   0.916
  447   2HG   MET  69           HG1      MET  69  -3.936  -3.273  -0.306
  448   1HE   MET  69           HE3      MET  69  -3.014  -0.039   0.742
  449   2HE   MET  69           HE2      MET  69  -1.833  -1.025  -0.109
  450   3HE   MET  69           HE1      MET  69  -2.267   0.556  -0.737
  451    H    ASP  70           HN       ASP  70  -5.718  -4.747  -3.086
  452    HA   ASP  70           HA       ASP  70  -6.637  -6.667  -3.910
  453   1HB   ASP  70           HB2      ASP  70  -7.364  -8.221  -2.192
  454   2HB   ASP  70           HB1      ASP  70  -5.991  -7.289  -1.605
  455    H    GLY  71           HN       GLY  71  -8.227  -4.702  -4.771
  456   1HA   GLY  71           HA1      GLY  71 -10.697  -6.000  -5.189
  457   2HA   GLY  71           HA2      GLY  71 -10.317  -4.348  -5.653
  458    H    THR  72           HN       THR  72  -9.649  -4.045  -2.604
  459    HA   THR  72           HA       THR  72 -12.419  -3.847  -1.653
  460    HB   THR  72           HB       THR  72  -9.935  -3.565   0.030
  461    HG1  THR  72           HG1      THR  72  -9.883  -5.702   0.299
  462   1HG2  THR  72          1HG2      THR  72 -12.589  -3.206   0.666
  463   2HG2  THR  72          3HG2      THR  72 -12.242  -4.845   1.215
  464   3HG2  THR  72          2HG2      THR  72 -11.267  -3.495   1.797
  465    H    ALA  73           HN       ALA  73 -13.345  -1.955  -1.329
  466    HA   ALA  73           HA       ALA  73 -11.759   0.457  -1.805
  467   1HB   ALA  73           HB2      ALA  73 -14.636   0.816  -1.515
  468   2HB   ALA  73           HB3      ALA  73 -14.207  -0.353  -2.764
  469   3HB   ALA  73           HB1      ALA  73 -13.561   1.288  -2.833
  470    H    LEU  74           HN       LEU  74 -10.831   0.117   0.411
  471    HA   LEU  74           HA       LEU  74 -12.558   0.594   2.644
  472   1HB   LEU  74           HB2      LEU  74 -10.615   0.446   4.009
  473   2HB   LEU  74           HB1      LEU  74 -10.523  -0.813   2.794
  474    HG   LEU  74           HG       LEU  74  -9.146   1.385   1.708
  475   1HD1  LEU  74          1HD1      LEU  74  -8.588   0.994   4.631
  476   2HD1  LEU  74          3HD1      LEU  74  -7.383   1.636   3.516
  477   3HD1  LEU  74          2HD1      LEU  74  -8.901   2.496   3.762
  478   1HD2  LEU  74          3HD2      LEU  74  -8.299  -1.237   2.898
  479   2HD2  LEU  74          2HD2      LEU  74  -8.454  -0.797   1.197
  480   3HD2  LEU  74          1HD2      LEU  74  -7.144  -0.122   2.166
  481    H    SER  75           HN       SER  75 -13.456   2.527   2.804
  482    HA   SER  75           HA       SER  75 -12.007   4.920   2.034
  483   1HB   SER  75           HB2      SER  75 -14.400   4.587   1.433
  484   2HB   SER  75           HB1      SER  75 -14.803   4.641   3.149
  485    HG   SER  75           HG       SER  75 -13.817   6.770   3.151
  486    H    TYR  76           HN       TYR  76 -10.751   5.963   3.426
  487    HA   TYR  76           HA       TYR  76 -11.648   6.294   6.174
  488   1HB   TYR  76           HB2      TYR  76  -9.686   5.489   7.202
  489   2HB   TYR  76           HB1      TYR  76 -10.114   4.263   6.016
  490    HD1  TYR  76           HD1      TYR  76  -9.012   5.010   3.548
  491    HD2  TYR  76           HD2      TYR  76  -7.422   5.756   7.423
  492    HE1  TYR  76           HE1      TYR  76  -6.753   5.155   2.587
  493    HE2  TYR  76           HE2      TYR  76  -5.159   5.904   6.472
  494    HH   TYR  76           HH       TYR  76  -3.924   5.221   4.548
  495    H    ALA  77           HN       ALA  77 -10.729   8.069   7.262
  496    HA   ALA  77           HA       ALA  77  -9.932  10.194   5.477
  497   1HB   ALA  77           HB1      ALA  77 -10.930   9.998   8.250
  498   2HB   ALA  77           HB3      ALA  77  -9.883  11.370   7.887
  499   3HB   ALA  77           HB2      ALA  77 -11.364  11.122   6.962
  500    H    PHE  78           HN       PHE  78  -7.858  10.298   4.888
  501    HA   PHE  78           HA       PHE  78  -5.676   9.156   6.118
  502   1HB   PHE  78           HB2      PHE  78  -6.072  11.309   4.132
  503   2HB   PHE  78           HB1      PHE  78  -4.509  11.298   4.943
  504    HD1  PHE  78           HD1      PHE  78  -6.832   8.761   3.485
  505    HD2  PHE  78           HD2      PHE  78  -2.848  10.226   3.796
  506    HE1  PHE  78           HE1      PHE  78  -6.063   6.984   1.967
  507    HE2  PHE  78           HE2      PHE  78  -2.073   8.452   2.278
  508    HZ   PHE  78           HZ       PHE  78  -3.681   6.828   1.361
  509    H    ALA  79           HN       ALA  79  -3.721  10.584   6.887
  510    HA   ALA  79           HA       ALA  79  -4.717  12.327   9.047
  511   1HB   ALA  79           HB2      ALA  79  -2.514  11.501  10.181
  512   2HB   ALA  79           HB3      ALA  79  -2.662  10.162   9.040
  513   3HB   ALA  79           HB1      ALA  79  -3.956  10.486  10.197
  514    H    GLU  80           HN       GLU  80  -2.767  13.601  10.017
  515    HA   GLU  80           HA       GLU  80  -1.743  15.281   7.913
  516   1HB   GLU  80           HB2      GLU  80  -2.632  16.161  10.078
  517   2HB   GLU  80           HB1      GLU  80  -1.254  15.438  10.892
  518   1HG   GLU  80           HG2      GLU  80   0.196  16.831   9.336
  519   2HG   GLU  80           HG1      GLU  80  -1.278  17.713   8.942
  520    H    ALA  81           HN       ALA  81  -0.555  13.040   7.308
  521    HA   ALA  81           HA       ALA  81   1.948  12.705   8.724
  522   1HB   ALA  81           HB3      ALA  81   2.339  10.830   7.350
  523   2HB   ALA  81           HB1      ALA  81   1.172  11.372   6.146
  524   3HB   ALA  81           HB2      ALA  81   0.616  10.807   7.721
  525    H    THR  82           HN       THR  82   3.999  12.679   7.547
  526    HA   THR  82           HA       THR  82   4.197  14.336   5.176
  527    HB   THR  82           HB       THR  82   4.284  16.107   6.700
  528    HG1  THR  82           HG1      THR  82   6.100  16.790   5.948
  529   1HG2  THR  82          3HG2      THR  82   4.965  14.211   8.616
  530   2HG2  THR  82          2HG2      THR  82   6.343  15.310   8.539
  531   3HG2  THR  82          1HG2      THR  82   4.729  15.944   8.859
  532    H    VAL  83           HN       VAL  83   5.986  12.800   7.815
  533    HA   VAL  83           HA       VAL  83   8.243  12.157   6.135
  534    HB   VAL  83           HB       VAL  83   7.669  10.954   8.840
  535   1HG1  VAL  83          3HG1      VAL  83  10.185  11.573   7.311
  536   2HG1  VAL  83          2HG1      VAL  83  10.164  11.073   9.002
  537   3HG1  VAL  83          1HG1      VAL  83   9.548   9.989   7.755
  538   1HG2  VAL  83          1HG2      VAL  83   8.653  13.723   8.220
  539   2HG2  VAL  83          3HG2      VAL  83   7.349  13.233   9.302
  540   3HG2  VAL  83          2HG2      VAL  83   9.028  12.914   9.741
  541    HA   PRO  84           HA       PRO  84   6.846   8.436   4.157
  542   1HB   PRO  84           HB2      PRO  84   9.270   7.293   5.509
  543   2HB   PRO  84           HB1      PRO  84   8.687   7.043   3.858
  544   1HG   PRO  84           HG2      PRO  84  10.669   8.764   4.379
  545   2HG   PRO  84           HG1      PRO  84   9.459   9.096   3.128
  546   1HD   PRO  84           HD2      PRO  84   9.837  10.376   5.752
  547   2HD   PRO  84           HD1      PRO  84   8.993  10.982   4.317
  548    H    VAL  85           HN       VAL  85   5.014   8.353   5.642
  549    HA   VAL  85           HA       VAL  85   5.336   6.532   7.922
  550    HB   VAL  85           HB       VAL  85   2.961   8.236   7.137
  551   1HG1  VAL  85          1HG1      VAL  85   3.451   6.398   9.464
  552   2HG1  VAL  85          3HG1      VAL  85   2.253   7.691   9.520
  553   3HG1  VAL  85          2HG1      VAL  85   2.102   6.399   8.329
  554   1HG2  VAL  85          1HG2      VAL  85   5.379   8.816   8.633
  555   2HG2  VAL  85          3HG2      VAL  85   4.130   9.912   8.042
  556   3HG2  VAL  85          2HG2      VAL  85   3.926   9.096   9.591
  557    H    THR  86           HN       THR  86   3.744   4.804   8.222
  558    HA   THR  86           HA       THR  86   2.675   3.816   5.662
  559    HB   THR  86           HB       THR  86   3.271   1.635   7.427
  560    HG1  THR  86           HG1      THR  86   5.555   1.898   7.428
  561   1HG2  THR  86          2HG2      THR  86   4.487   2.444   4.798
  562   2HG2  THR  86          1HG2      THR  86   4.700   0.884   5.592
  563   3HG2  THR  86          3HG2      THR  86   3.102   1.377   5.031
  564    H    TYR  87           HN       TYR  87   0.686   2.911   5.658
  565    HA   TYR  87           HA       TYR  87  -0.853   3.115   8.150
  566   1HB   TYR  87           HB2      TYR  87  -2.073   4.356   6.656
  567   2HB   TYR  87           HB1      TYR  87  -1.478   3.461   5.264
  568    HD1  TYR  87           HD1      TYR  87  -2.614   1.452   4.500
  569    HD2  TYR  87           HD2      TYR  87  -4.040   3.618   7.874
  570    HE1  TYR  87           HE1      TYR  87  -4.737   0.228   4.377
  571    HE2  TYR  87           HE2      TYR  87  -6.176   2.403   7.758
  572    HH   TYR  87           HH       TYR  87  -7.494   1.125   6.296
  573    H    VAL  88           HN       VAL  88  -0.848   1.218   9.218
  574    HA   VAL  88           HA       VAL  88  -0.648  -1.291   7.811
  575    HB   VAL  88           HB       VAL  88  -1.103  -0.883  10.763
  576   1HG1  VAL  88          2HG1      VAL  88  -0.012  -3.216   9.187
  577   2HG1  VAL  88          1HG1      VAL  88  -0.066  -3.114  10.946
  578   3HG1  VAL  88          3HG1      VAL  88  -1.566  -3.149  10.018
  579   1HG2  VAL  88          2HG2      VAL  88   1.244  -0.386   9.116
  580   2HG2  VAL  88          1HG2      VAL  88   0.917   0.068  10.787
  581   3HG2  VAL  88          3HG2      VAL  88   1.552  -1.535  10.417
  582    H    GLN  89           HN       GLN  89  -2.212  -2.555   7.190
  583    HA   GLN  89           HA       GLN  89  -4.758  -2.613   8.599
  584   1HB   GLN  89           HB2      GLN  89  -5.156  -0.973   6.828
  585   2HB   GLN  89           HB1      GLN  89  -4.537  -2.091   5.624
  586   1HG   GLN  89           HG2      GLN  89  -6.451  -3.632   6.596
  587   2HG   GLN  89           HG1      GLN  89  -7.140  -2.073   7.046
  588   1HE2  GLN  89          1HE2      GLN  89  -8.327  -3.836   5.234
  589   2HE2  GLN  89          2HE2      GLN  89  -8.337  -3.097   3.673
  590    H    THR  90           HN       THR  90  -4.936  -4.720   9.088
  591    HA   THR  90           HA       THR  90  -3.512  -6.667   7.543
  592    HB   THR  90           HB       THR  90  -4.639  -8.282   9.180
  593    HG1  THR  90           HG1      THR  90  -5.208  -5.933  10.633
  594   1HG2  THR  90          3HG2      THR  90  -2.823  -6.068  10.084
  595   2HG2  THR  90          2HG2      THR  90  -3.272  -7.427  11.121
  596   3HG2  THR  90          1HG2      THR  90  -2.402  -7.719   9.613
  597    H    LYS  91           HN       LYS  91  -4.161  -7.528   5.792
  598    HA   LYS  91           HA       LYS  91  -7.006  -8.156   5.385
  599   1HB   LYS  91           HB2      LYS  91  -6.254  -6.061   4.169
  600   2HB   LYS  91           HB1      LYS  91  -5.158  -7.074   3.250
  601   1HG   LYS  91           HG2      LYS  91  -8.015  -6.620   2.921
  602   2HG   LYS  91           HG1      LYS  91  -6.807  -7.161   1.761
  603   1HD   LYS  91           HD2      LYS  91  -6.999  -9.431   2.564
  604   2HD   LYS  91           HD1      LYS  91  -8.117  -8.919   3.831
  605   1HE   LYS  91           HE2      LYS  91  -9.358  -7.949   1.634
  606   2HE   LYS  91           HE1      LYS  91  -8.569  -9.374   0.958
  607   1HZ   LYS  91           HZ2      LYS  91 -10.099  -9.596   3.462
  608   2HZ   LYS  91           HZ1      LYS  91 -10.916  -9.583   1.982
  609   3HZ   LYS  91           HZ3      LYS  91  -9.767 -10.783   2.305
  610    H    THR  92           HN       THR  92  -7.261 -10.256   4.938
  611    HA   THR  92           HA       THR  92  -4.938 -11.822   4.156
  612    HB   THR  92           HB       THR  92  -7.586 -13.075   4.633
  613    HG1  THR  92           HG1      THR  92  -7.726 -12.480   6.638
  614   1HG2  THR  92          2HG2      THR  92  -5.448 -14.352   4.232
  615   2HG2  THR  92          1HG2      THR  92  -4.927 -13.779   5.817
  616   3HG2  THR  92          3HG2      THR  92  -6.364 -14.792   5.675
  617    H    LEU  93           HN       LEU  93  -4.575 -11.978   2.045
  618    HA   LEU  93           HA       LEU  93  -6.875 -12.213   0.266
  619   1HB   LEU  93           HB2      LEU  93  -5.014 -11.637  -1.530
  620   2HB   LEU  93           HB1      LEU  93  -5.942 -10.409  -0.697
  621    HG   LEU  93           HG       LEU  93  -3.421 -10.044  -0.886
  622   1HD1  LEU  93          1HD1      LEU  93  -5.265  -9.464   1.189
  623   2HD1  LEU  93          3HD1      LEU  93  -3.702  -9.810   1.929
  624   3HD1  LEU  93          2HD1      LEU  93  -3.835  -8.556   0.697
  625   1HD2  LEU  93          1HD2      LEU  93  -3.576 -12.522   0.615
  626   2HD2  LEU  93          3HD2      LEU  93  -2.235 -11.835  -0.296
  627   3HD2  LEU  93          2HD2      LEU  93  -2.535 -11.312   1.363
  628    H    SER  94           HN       SER  94  -6.902 -13.713  -1.434
  629    HA   SER  94           HA       SER  94  -5.343 -16.077  -0.809
  630   1HB   SER  94           HB2      SER  94  -7.756 -15.784  -2.601
  631   2HB   SER  94           HB1      SER  94  -6.991 -17.304  -2.139
  632    HG   SER  94           HG       SER  94  -8.765 -15.763  -0.764
  633    H    ALA  95           HN       ALA  95  -4.418 -17.382  -2.494
  634    HA   ALA  95           HA       ALA  95  -2.758 -15.966  -4.234
  635   1HB   ALA  95           HB1      ALA  95  -3.443 -18.812  -3.819
  636   2HB   ALA  95           HB2      ALA  95  -1.871 -18.012  -3.838
  637   3HB   ALA  95           HB3      ALA  95  -2.688 -18.390  -5.355
  638    H    GLY  96           HN       GLY  96  -2.896 -15.335  -6.312
  639   1HA   GLY  96           HA1      GLY  96  -5.511 -15.643  -7.611
  640   2HA   GLY  96           HA2      GLY  96  -4.070 -16.118  -8.499
  641    H    ASN  97           HN       ASN  97  -5.959 -14.085  -9.249
  642    HA   ASN  97           HA       ASN  97  -4.087 -11.850  -9.448
  643   1HB   ASN  97           HB2      ASN  97  -5.017 -12.761 -11.540
  644   2HB   ASN  97           HB1      ASN  97  -6.643 -12.387 -10.978
  645   1HD2  ASN  97          1HD2      ASN  97  -3.616 -10.546 -10.857
  646   2HD2  ASN  97          2HD2      ASN  97  -4.217  -9.171 -11.713
  647    H    HIS  98           HN       HIS  98  -4.297 -10.213  -8.095
  648    HA   HIS  98           HA       HIS  98  -6.993  -9.519  -7.132
  649   1HB   HIS  98           HB2      HIS  98  -4.352  -9.575  -5.705
  650   2HB   HIS  98           HB1      HIS  98  -5.636  -8.503  -5.154
  651    HD1  HIS  98           HD1      HIS  98  -6.326  -9.659  -3.037
  652    HD2  HIS  98           HD2      HIS  98  -6.182 -12.243  -6.287
  653    HE1  HIS  98           HE1      HIS  98  -7.321 -11.819  -2.222
  654    HE2  HIS  98           HE2      HIS  98  -7.271 -13.353  -4.220
  655    H    SER  99           HN       SER  99  -7.097  -7.169  -6.374
  656    HA   SER  99           HA       SER  99  -5.584  -5.483  -8.259
  657   1HB   SER  99           HB2      SER  99  -7.496  -4.213  -8.743
  658   2HB   SER  99           HB1      SER  99  -8.101  -5.869  -8.705
  659    HG   SER  99           HG       SER  99  -8.520  -3.770  -6.917
  660    H    PHE 100           HN       PHE 100  -4.282  -4.116  -7.280
  661    HA   PHE 100           HA       PHE 100  -5.034  -3.079  -4.624
  662   1HB   PHE 100           HB2      PHE 100  -2.346  -3.803  -5.780
  663   2HB   PHE 100           HB1      PHE 100  -2.486  -2.696  -4.420
  664    HD1  PHE 100           HD1      PHE 100  -2.527  -6.132  -5.487
  665    HD2  PHE 100           HD2      PHE 100  -3.517  -3.502  -2.292
  666    HE1  PHE 100           HE1      PHE 100  -2.617  -8.050  -3.945
  667    HE2  PHE 100           HE2      PHE 100  -3.612  -5.412  -0.744
  668    HZ   PHE 100           HZ       PHE 100  -3.162  -7.688  -1.570
  669    H    GLY 101           HN       GLY 101  -4.084  -0.844  -4.180
  670   1HA   GLY 101           HA1      GLY 101  -4.650   0.790  -6.510
  671   2HA   GLY 101           HA2      GLY 101  -3.021   0.923  -5.886
  672    H    VAL 102           HN       VAL 102  -4.677   3.071  -6.080
  673    HA   VAL 102           HA       VAL 102  -5.878   3.612  -3.498
  674    HB   VAL 102           HB       VAL 102  -4.006   5.772  -4.162
  675   1HG1  VAL 102          3HG1      VAL 102  -5.481   5.037  -2.019
  676   2HG1  VAL 102          2HG1      VAL 102  -3.890   4.419  -1.557
  677   3HG1  VAL 102          1HG1      VAL 102  -4.096   6.131  -1.950
  678   1HG2  VAL 102          3HG2      VAL 102  -2.619   3.770  -4.756
  679   2HG2  VAL 102          2HG2      VAL 102  -1.984   4.750  -3.429
  680   3HG2  VAL 102          1HG2      VAL 102  -2.805   3.222  -3.086
  681    H    ARG 103           HN       ARG 103  -7.682   4.766  -3.885
  682    HA   ARG 103           HA       ARG 103  -7.723   6.441  -6.311
  683   1HB   ARG 103           HB2      ARG 103  -9.109   4.758  -6.995
  684   2HB   ARG 103           HB1      ARG 103  -9.607   4.354  -5.362
  685   1HG   ARG 103           HG2      ARG 103 -11.526   5.178  -6.424
  686   2HG   ARG 103           HG1      ARG 103 -10.973   6.495  -5.393
  687   1HD   ARG 103           HD2      ARG 103 -11.134   7.775  -7.220
  688   2HD   ARG 103           HD1      ARG 103  -9.653   6.976  -7.754
  689    HE   ARG 103           HE       ARG 103 -11.970   5.477  -8.461
  690   1HH1  ARG 103          1HH1      ARG 103 -10.056   8.243  -9.384
  691   2HH1  ARG 103          2HH1      ARG 103 -10.514   8.162 -11.052
  692   1HH2  ARG 103          1HH2      ARG 103 -12.575   5.365 -10.655
  693   2HH2  ARG 103          2HH2      ARG 103 -11.945   6.526 -11.774
  694    H    VAL 104           HN       VAL 104  -9.086   8.224  -6.352
  695    HA   VAL 104           HA       VAL 104 -10.122   9.195  -3.786
  696    HB   VAL 104           HB       VAL 104  -9.294  11.524  -4.965
  697   1HG1  VAL 104          3HG1      VAL 104  -8.555   9.921  -2.700
  698   2HG1  VAL 104          2HG1      VAL 104  -7.210  10.897  -3.296
  699   3HG1  VAL 104          1HG1      VAL 104  -8.738  11.664  -2.871
  700   1HG2  VAL 104          1HG2      VAL 104  -7.204   9.428  -5.543
  701   2HG2  VAL 104          3HG2      VAL 104  -7.984  10.518  -6.688
  702   3HG2  VAL 104          2HG2      VAL 104  -6.865  11.158  -5.486
  703    H    GLY 105           HN       GLY 105 -12.165   9.973  -3.982
  704   1HA   GLY 105           HA1      GLY 105 -14.041   9.676  -5.654
  705   2HA   GLY 105           HA2      GLY 105 -13.076  10.705  -6.698
  706    H    SER 106           HN       SER 106 -15.073  11.989  -6.746
  707    HA   SER 106           HA       SER 106 -14.889  14.344  -5.347
  708   1HB   SER 106           HB2      SER 106 -16.260  14.357  -7.266
  709   2HB   SER 106           HB1      SER 106 -17.234  13.008  -6.685
  710    HG   SER 106           HG       SER 106 -18.375  14.332  -5.467
  711    H    SER 107           HN       SER 107 -16.362  11.354  -4.353
  712    HA   SER 107           HA       SER 107 -17.798  12.499  -2.137
  713   1HB   SER 107           HB2      SER 107 -18.781  10.534  -2.994
  714   2HB   SER 107           HB1      SER 107 -17.237   9.684  -3.049
  715    HG   SER 107           HG       SER 107 -17.826   8.930  -1.183
  716    H    ASP 108           HN       ASP 108 -14.655  11.104  -2.691
  717    HA   ASP 108           HA       ASP 108 -14.081  11.137   0.161
  718   1HB   ASP 108           HB2      ASP 108 -13.157   9.527  -2.079
  719   2HB   ASP 108           HB1      ASP 108 -11.822  10.153  -1.115
  720    H    TRP 109           HN       TRP 109 -12.224  11.883  -2.780
  721    HA   TRP 109           HA       TRP 109 -11.031  13.723  -3.387
  722   1HB   TRP 109           HB2      TRP 109 -11.667  15.748  -2.617
  723   2HB   TRP 109           HB1      TRP 109 -12.923  14.836  -1.796
  724    HD1  TRP 109           HD1      TRP 109 -13.164  15.426   0.667
  725    HE1  TRP 109           HE1      TRP 109 -11.649  16.441   2.486
  726    HE3  TRP 109           HE3      TRP 109  -8.843  15.766  -2.011
  727    HZ2  TRP 109           HZ2      TRP 109  -8.965  17.286   2.743
  728    HZ3  TRP 109           HZ3      TRP 109  -6.847  16.704  -0.910
  729    HH2  TRP 109           HH2      TRP 109  -6.903  17.440   1.416
  730    H    GLY 110           HN       GLY 110  -8.854  14.007  -3.295
  731   1HA   GLY 110           HA1      GLY 110  -7.065  12.541  -2.099
  732   2HA   GLY 110           HA2      GLY 110  -7.527  13.518  -0.721
  733    H    TYR 111           HN       TYR 111  -4.976  13.455  -1.392
  734    HA   TYR 111           HA       TYR 111  -3.835  15.159  -3.204
  735   1HB   TYR 111           HB2      TYR 111  -5.251  16.622  -1.114
  736   2HB   TYR 111           HB1      TYR 111  -3.541  17.010  -1.123
  737    HD1  TYR 111           HD1      TYR 111  -6.666  17.846  -2.474
  738    HD2  TYR 111           HD2      TYR 111  -2.551  17.553  -3.516
  739    HE1  TYR 111           HE1      TYR 111  -7.031  19.417  -4.327
  740    HE2  TYR 111           HE2      TYR 111  -2.906  19.127  -5.372
  741    HH   TYR 111           HH       TYR 111  -5.783  20.948  -5.716
  742    H    MET 112           HN       MET 112  -2.538  13.195  -2.682
  743    HA   MET 112           HA       MET 112  -0.522  13.857  -0.683
  744   1HB   MET 112           HB2      MET 112  -0.640  11.527   0.267
  745   2HB   MET 112           HB1      MET 112  -1.995  12.570   0.673
  746   1HG   MET 112           HG2      MET 112  -2.978  10.527   0.162
  747   2HG   MET 112           HG1      MET 112  -3.198  11.487  -1.298
  748   1HE   MET 112           HE3      MET 112  -3.739   8.569  -1.543
  749   2HE   MET 112           HE2      MET 112  -2.424   7.476  -1.988
  750   3HE   MET 112           HE1      MET 112  -2.623   7.986  -0.308
  751    H    ASN 113           HN       ASN 113   1.071  11.814  -0.617
  752    HA   ASN 113           HA       ASN 113   1.738  11.238  -3.421
  753   1HB   ASN 113           HB2      ASN 113   3.678  11.314  -1.110
  754   2HB   ASN 113           HB1      ASN 113   4.058  11.254  -2.828
  755   1HD2  ASN 113          1HD2      ASN 113   2.453  13.253  -0.392
  756   2HD2  ASN 113          2HD2      ASN 113   2.867  14.768  -1.111
  757    H    VAL 114           HN       VAL 114   2.128   9.166  -4.022
  758    HA   VAL 114           HA       VAL 114   1.817   7.104  -1.940
  759    HB   VAL 114           HB       VAL 114   1.091   6.870  -4.866
  760   1HG1  VAL 114          2HG1      VAL 114   1.697   4.868  -3.101
  761   2HG1  VAL 114          1HG1      VAL 114  -0.059   4.983  -2.969
  762   3HG1  VAL 114          3HG1      VAL 114   0.689   4.700  -4.542
  763   1HG2  VAL 114          2HG2      VAL 114  -0.513   7.545  -2.439
  764   2HG2  VAL 114          1HG2      VAL 114  -0.539   8.295  -4.035
  765   3HG2  VAL 114          3HG2      VAL 114  -1.267   6.704  -3.792
  766    H    HIS 115           HN       HIS 115   4.036   6.966  -1.528
  767    HA   HIS 115           HA       HIS 115   6.071   6.715  -3.407
  768   1HB   HIS 115           HB2      HIS 115   6.368   7.097  -0.948
  769   2HB   HIS 115           HB1      HIS 115   6.004   5.395  -0.690
  770    HD1  HIS 115           HD1      HIS 115   7.721   3.718  -2.054
  771    HD2  HIS 115           HD2      HIS 115   9.009   7.593  -1.281
  772    HE1  HIS 115           HE1      HIS 115  10.224   3.656  -2.294
  773    HE2  HIS 115           HE2      HIS 115  10.972   6.030  -1.912
  774    H    SER 116           HN       SER 116   4.197   4.154  -1.785
  775    HA   SER 116           HA       SER 116   4.229   2.456  -4.019
  776   1HB   SER 116           HB2      SER 116   6.619   2.239  -3.519
  777   2HB   SER 116           HB1      SER 116   6.234   1.723  -1.878
  778    HG   SER 116           HG       SER 116   5.360   0.370  -4.211
  779    H    LEU 117           HN       LEU 117   3.354   0.334  -3.599
  780    HA   LEU 117           HA       LEU 117   1.610   0.303  -1.230
  781   1HB   LEU 117           HB2      LEU 117   0.937   0.090  -3.835
  782   2HB   LEU 117           HB1      LEU 117   1.205  -1.598  -3.471
  783    HG   LEU 117           HG       LEU 117  -0.625   0.024  -1.728
  784   1HD1  LEU 117          2HD1      LEU 117  -1.102  -0.876  -4.517
  785   2HD1  LEU 117          1HD1      LEU 117  -2.404  -1.055  -3.341
  786   3HD1  LEU 117          3HD1      LEU 117  -1.715   0.538  -3.656
  787   1HD2  LEU 117          1HD2      LEU 117  -0.161  -2.863  -2.397
  788   2HD2  LEU 117          3HD2      LEU 117  -0.286  -2.093  -0.816
  789   3HD2  LEU 117          2HD2      LEU 117  -1.732  -2.345  -1.792
  790    H    LYS 118           HN       LYS 118   3.178  -0.578   0.205
  791    HA   LYS 118           HA       LYS 118   4.419  -3.097  -0.502
  792   1HB   LYS 118           HB2      LYS 118   5.557  -2.909   1.672
  793   2HB   LYS 118           HB1      LYS 118   5.764  -1.472   0.683
  794   1HG   LYS 118           HG2      LYS 118   4.176  -0.259   1.987
  795   2HG   LYS 118           HG1      LYS 118   3.726  -1.715   2.880
  796   1HD   LYS 118           HD2      LYS 118   6.587  -1.145   2.971
  797   2HD   LYS 118           HD1      LYS 118   5.600   0.144   3.661
  798   1HE   LYS 118           HE2      LYS 118   4.978  -1.106   5.423
  799   2HE   LYS 118           HE1      LYS 118   4.805  -2.567   4.451
  800   1HZ   LYS 118           HZ2      LYS 118   7.490  -1.522   5.047
  801   2HZ   LYS 118           HZ1      LYS 118   6.665  -2.418   6.220
  802   3HZ   LYS 118           HZ3      LYS 118   7.009  -3.109   4.714
  803    H    LEU 119           HN       LEU 119   3.752  -5.054   0.059
  804    HA   LEU 119           HA       LEU 119   1.578  -5.275   2.037
  805   1HB   LEU 119           HB2      LEU 119   1.844  -6.298  -0.659
  806   2HB   LEU 119           HB1      LEU 119   1.604  -7.608   0.480
  807    HG   LEU 119           HG       LEU 119  -0.293  -5.642   1.167
  808   1HD1  LEU 119          2HD1      LEU 119   0.387  -4.993  -1.335
  809   2HD1  LEU 119          1HD1      LEU 119  -0.821  -6.232  -1.675
  810   3HD1  LEU 119          3HD1      LEU 119  -1.251  -4.824  -0.704
  811   1HD2  LEU 119          3HD2      LEU 119  -0.173  -8.397   0.604
  812   2HD2  LEU 119          2HD2      LEU 119  -1.510  -7.494   1.314
  813   3HD2  LEU 119          1HD2      LEU 119  -1.441  -7.736  -0.431
  814    H    GLU 120           HN       GLU 120   2.483  -5.949   3.889
  815    HA   GLU 120           HA       GLU 120   4.789  -7.690   3.876
  816   1HB   GLU 120           HB2      GLU 120   3.303  -6.109   5.894
  817   2HB   GLU 120           HB1      GLU 120   4.124  -7.549   6.482
  818   1HG   GLU 120           HG2      GLU 120   6.140  -6.559   5.120
  819   2HG   GLU 120           HG1      GLU 120   5.256  -5.049   5.338
  820    H    LEU 121           HN       LEU 121   4.877  -9.744   4.919
  821    HA   LEU 121           HA       LEU 121   2.414 -11.264   4.561
  822   1HB   LEU 121           HB2      LEU 121   5.317 -11.934   4.731
  823   2HB   LEU 121           HB1      LEU 121   4.153 -13.174   5.151
  824    HG   LEU 121           HG       LEU 121   5.134 -12.854   2.671
  825   1HD1  LEU 121          2HD1      LEU 121   2.476 -13.853   3.618
  826   2HD1  LEU 121          1HD1      LEU 121   2.914 -13.936   1.911
  827   3HD1  LEU 121          3HD1      LEU 121   3.899 -14.764   3.117
  828   1HD2  LEU 121          2HD2      LEU 121   4.113 -10.576   2.509
  829   2HD2  LEU 121          1HD2      LEU 121   3.624 -11.693   1.235
  830   3HD2  LEU 121          3HD2      LEU 121   2.527 -11.344   2.572
  831    H    LEU 122           HN       LEU 122   2.822  -9.458   6.875
  832    HA   LEU 122           HA       LEU 122   2.592  -9.400   9.139
  833   1HB   LEU 122           HB2      LEU 122   0.781 -11.391   8.067
  834   2HB   LEU 122           HB1      LEU 122   1.213 -11.756   9.725
  835    HG   LEU 122           HG       LEU 122  -0.104  -9.243   8.696
  836   1HD1  LEU 122          3HD1      LEU 122  -1.168 -11.666   9.505
  837   2HD1  LEU 122          2HD1      LEU 122  -1.318 -10.634  10.928
  838   3HD1  LEU 122          1HD1      LEU 122  -2.021 -10.126   9.392
  839   1HD2  LEU 122          1HD2      LEU 122   1.180  -9.845  11.337
  840   2HD2  LEU 122          3HD2      LEU 122   1.337  -8.409  10.326
  841   3HD2  LEU 122          2HD2      LEU 122  -0.160  -8.705  11.209
  842    H    GLY 123           HN       GLY 123   4.733  -9.646   9.769
  843   1HA   GLY 123           HA1      GLY 123   5.489 -12.377  10.609
  844   2HA   GLY 123           HA2      GLY 123   5.767 -10.969  11.624

  No H/Q in entry =         844
  Start of MODEL    4
    1    H    SER   8           HN       SER   8   9.598 -10.717   0.313
    2    HA   SER   8           HA       SER   8   7.854  -8.796   1.704
    3   1HB   SER   8           HB2      SER   8   9.911  -7.217   0.750
    4   2HB   SER   8           HB1      SER   8   9.714  -7.727   2.423
    5    HG   SER   8           HG       SER   8  11.729  -8.259   0.876
    6    H    TRP   9           HN       TRP   9   6.941  -7.169   0.331
    7    HA   TRP   9           HA       TRP   9   7.520  -7.496  -2.527
    8   1HB   TRP   9           HB2      TRP   9   4.679  -7.275  -1.545
    9   2HB   TRP   9           HB1      TRP   9   5.255  -7.775  -3.134
   10    HD1  TRP   9           HD1      TRP   9   5.219 -10.317  -3.522
   11    HE1  TRP   9           HE1      TRP   9   5.215 -12.414  -2.024
   12    HE3  TRP   9           HE3      TRP   9   5.606  -8.067   1.037
   13    HZ2  TRP   9           HZ2      TRP   9   5.364 -13.019   0.743
   14    HZ3  TRP   9           HZ3      TRP   9   5.679  -9.452   3.050
   15    HH2  TRP   9           HH2      TRP   9   5.563 -11.863   2.912
   16    H    THR  10           HN       THR  10   8.379  -5.553  -2.950
   17    HA   THR  10           HA       THR  10   7.143  -3.155  -1.836
   18    HB   THR  10           HB       THR  10   9.335  -2.679  -3.690
   19    HG1  THR  10           HG1      THR  10  10.239  -4.563  -3.092
   20   1HG2  THR  10          1HG2      THR  10   8.414  -1.211  -1.794
   21   2HG2  THR  10          3HG2      THR  10   9.417  -2.210  -0.742
   22   3HG2  THR  10          2HG2      THR  10  10.159  -1.283  -2.046
   23    H    TYR  11           HN       TYR  11   5.283  -2.885  -2.924
   24    HA   TYR  11           HA       TYR  11   5.106  -3.162  -5.764
   25   1HB   TYR  11           HB2      TYR  11   3.312  -2.255  -3.557
   26   2HB   TYR  11           HB1      TYR  11   2.808  -2.071  -5.233
   27    HD1  TYR  11           HD1      TYR  11   4.874  -4.945  -4.684
   28    HD2  TYR  11           HD2      TYR  11   0.871  -3.530  -4.404
   29    HE1  TYR  11           HE1      TYR  11   4.065  -7.264  -4.640
   30    HE2  TYR  11           HE2      TYR  11   0.052  -5.847  -4.361
   31    HH   TYR  11           HH       TYR  11   0.812  -8.061  -3.866
   32    H    THR  12           HN       THR  12   6.493  -1.719  -6.761
   33    HA   THR  12           HA       THR  12   6.795   0.993  -6.053
   34    HB   THR  12           HB       THR  12   7.926   1.250  -8.194
   35    HG1  THR  12           HG1      THR  12   7.700  -0.155  -9.807
   36   1HG2  THR  12          2HG2      THR  12   9.107  -0.011  -6.408
   37   2HG2  THR  12          1HG2      THR  12   8.557  -1.502  -7.170
   38   3HG2  THR  12          3HG2      THR  12   9.624  -0.406  -8.047
   39    H    ALA  13           HN       ALA  13   5.660   2.794  -6.590
   40    HA   ALA  13           HA       ALA  13   3.037   2.520  -7.607
   41   1HB   ALA  13           HB1      ALA  13   4.722   4.780  -6.700
   42   2HB   ALA  13           HB3      ALA  13   3.311   5.153  -7.692
   43   3HB   ALA  13           HB2      ALA  13   3.113   4.277  -6.175
   44    H    ALA  14           HN       ALA  14   6.062   3.312  -9.166
   45    HA   ALA  14           HA       ALA  14   4.881   4.452 -11.490
   46   1HB   ALA  14           HB2      ALA  14   6.973   4.989 -11.914
   47   2HB   ALA  14           HB3      ALA  14   7.385   3.290 -12.152
   48   3HB   ALA  14           HB1      ALA  14   7.508   4.011 -10.546
   49    H    SER  15           HN       SER  15   5.329   1.231 -10.377
   50    HA   SER  15           HA       SER  15   5.024   0.029 -12.993
   51   1HB   SER  15           HB2      SER  15   5.218  -2.071 -11.887
   52   2HB   SER  15           HB1      SER  15   6.345  -0.995 -11.062
   53    HG   SER  15           HG       SER  15   5.116  -2.155  -9.559
   54    H    ALA  16           HN       ALA  16   3.005   1.557 -10.884
   55    HA   ALA  16           HA       ALA  16   0.684  -0.150 -11.325
   56   1HB   ALA  16           HB1      ALA  16   1.196   0.890  -9.090
   57   2HB   ALA  16           HB2      ALA  16  -0.427   1.197  -9.705
   58   3HB   ALA  16           HB3      ALA  16   0.808   2.453  -9.810
   59    H    SER  17           HN       SER  17  -1.301   1.830 -11.368
   60    HA   SER  17           HA       SER  17  -0.826   3.056 -14.004
   61   1HB   SER  17           HB2      SER  17  -3.095   2.693 -14.575
   62   2HB   SER  17           HB1      SER  17  -2.574   1.192 -13.809
   63    HG   SER  17           HG       SER  17  -3.450   2.266 -11.812
   64    H    ILE  18           HN       ILE  18  -0.318   5.122 -13.618
   65    HA   ILE  18           HA       ILE  18  -1.590   6.628 -11.499
   66    HB   ILE  18           HB       ILE  18   0.671   7.092 -13.383
   67   1HG1  ILE  18          2HG1      ILE  18   1.725   7.956 -11.302
   68   2HG1  ILE  18          1HG1      ILE  18   0.215   7.609 -10.437
   69   1HG2  ILE  18          3HG2      ILE  18  -1.079   9.244 -12.332
   70   2HG2  ILE  18          2HG2      ILE  18   0.660   9.500 -12.430
   71   3HG2  ILE  18          1HG2      ILE  18  -0.255   9.114 -13.887
   72   1HD1  ILE  18          3HD1      ILE  18   0.573   5.244 -11.385
   73   2HD1  ILE  18          2HD1      ILE  18   2.234   5.791 -11.600
   74   3HD1  ILE  18          1HD1      ILE  18   1.508   5.789  -9.994
   75    H    THR  19           HN       THR  19  -3.673   7.156 -11.904
   76    HA   THR  19           HA       THR  19  -4.375   8.180 -14.564
   77    HB   THR  19           HB       THR  19  -6.159   7.336 -12.272
   78    HG1  THR  19           HG1      THR  19  -5.653   6.016 -14.726
   79   1HG2  THR  19          3HG2      THR  19  -6.859   8.035 -15.112
   80   2HG2  THR  19          2HG2      THR  19  -7.955   7.310 -13.936
   81   3HG2  THR  19          1HG2      THR  19  -7.314   8.930 -13.662
   82    H    ALA  20           HN       ALA  20  -4.644  10.293 -14.881
   83    HA   ALA  20           HA       ALA  20  -4.056  12.294 -13.128
   84   1HB   ALA  20           HB3      ALA  20  -4.274  12.783 -15.447
   85   2HB   ALA  20           HB1      ALA  20  -5.443  13.787 -14.589
   86   3HB   ALA  20           HB2      ALA  20  -5.981  12.340 -15.442
   87    HA   PRO  21           HA       PRO  21  -4.687  14.539 -12.485
   88   1HB   PRO  21           HB2      PRO  21  -4.569  15.371  -9.919
   89   2HB   PRO  21           HB1      PRO  21  -5.864  15.869 -11.017
   90   1HG   PRO  21           HG2      PRO  21  -5.866  13.642  -8.984
   91   2HG   PRO  21           HG1      PRO  21  -7.074  14.929  -9.236
   92   1HD   PRO  21           HD2      PRO  21  -7.454  12.496 -10.252
   93   2HD   PRO  21           HD1      PRO  21  -7.915  13.942 -11.168
   94    H    ALA  22           HN       ALA  22  -4.511  11.547 -11.022
   95    HA   ALA  22           HA       ALA  22  -2.254  11.740  -9.387
   96   1HB   ALA  22           HB2      ALA  22  -3.883   9.739  -9.882
   97   2HB   ALA  22           HB3      ALA  22  -2.217   9.451  -9.358
   98   3HB   ALA  22           HB1      ALA  22  -2.644   9.313 -11.065
   99    H    GLN  23           HN       GLN  23  -0.090  11.618  -9.762
  100    HA   GLN  23           HA       GLN  23   0.880  11.354 -12.499
  101   1HB   GLN  23           HB2      GLN  23   2.194  13.423 -12.363
  102   2HB   GLN  23           HB1      GLN  23   0.468  13.744 -12.274
  103   1HG   GLN  23           HG2      GLN  23   1.409  13.404  -9.629
  104   2HG   GLN  23           HG1      GLN  23   2.521  14.490 -10.460
  105   1HE2  GLN  23          1HE2      GLN  23  -0.654  14.060  -9.198
  106   2HE2  GLN  23          2HE2      GLN  23  -1.209  15.677  -9.448
  107    H    LEU  24           HN       LEU  24   2.524   9.989 -12.466
  108    HA   LEU  24           HA       LEU  24   3.859   9.328 -10.017
  109   1HB   LEU  24           HB2      LEU  24   3.298   8.025 -12.378
  110   2HB   LEU  24           HB1      LEU  24   5.019   8.314 -12.502
  111    HG   LEU  24           HG       LEU  24   4.166   6.104 -11.492
  112   1HD1  LEU  24          1HD1      LEU  24   6.513   6.906 -11.555
  113   2HD1  LEU  24          3HD1      LEU  24   6.249   7.673  -9.990
  114   3HD1  LEU  24          2HD1      LEU  24   6.141   5.921 -10.140
  115   1HD2  LEU  24          1HD2      LEU  24   2.804   7.650  -9.786
  116   2HD2  LEU  24          3HD2      LEU  24   3.339   6.016  -9.404
  117   3HD2  LEU  24          2HD2      LEU  24   4.279   7.403  -8.856
  118    H    VAL  25           HN       VAL  25   5.386  10.602  -9.227
  119    HA   VAL  25           HA       VAL  25   7.410  11.688 -11.074
  120    HB   VAL  25           HB       VAL  25   7.693  13.544  -9.354
  121   1HG1  VAL  25          3HG1      VAL  25   6.380  13.544 -11.622
  122   2HG1  VAL  25          2HG1      VAL  25   4.976  13.726 -10.570
  123   3HG1  VAL  25          1HG1      VAL  25   6.274  14.920 -10.524
  124   1HG2  VAL  25          1HG2      VAL  25   6.008  12.064  -7.830
  125   2HG2  VAL  25          3HG2      VAL  25   6.291  13.791  -7.611
  126   3HG2  VAL  25          2HG2      VAL  25   4.889  13.236  -8.526
  127    H    GLY  26           HN       GLY  26   9.306  10.727 -10.737
  128   1HA   GLY  26           HA1      GLY  26  10.629  10.669  -8.269
  129   2HA   GLY  26           HA2      GLY  26  11.078   9.721  -9.680
  130    H    ASN  27           HN       ASN  27   8.683   8.208  -9.887
  131    HA   ASN  27           HA       ASN  27   7.866   6.200  -9.201
  132   1HB   ASN  27           HB2      ASN  27  10.494   6.350  -7.942
  133   2HB   ASN  27           HB1      ASN  27   9.362   5.378  -7.009
  134   1HD2  ASN  27          1HD2      ASN  27  10.534   5.851 -10.315
  135   2HD2  ASN  27          2HD2      ASN  27  10.461   4.184 -10.764
  136    H    VAL  28           HN       VAL  28   6.786   8.610  -8.166
  137    HA   VAL  28           HA       VAL  28   5.687   7.597  -5.636
  138    HB   VAL  28           HB       VAL  28   6.377  10.494  -6.114
  139   1HG1  VAL  28          3HG1      VAL  28   4.908   9.029  -4.029
  140   2HG1  VAL  28          2HG1      VAL  28   6.084  10.204  -3.441
  141   3HG1  VAL  28          1HG1      VAL  28   4.793  10.716  -4.528
  142   1HG2  VAL  28          1HG2      VAL  28   7.916   8.269  -4.897
  143   2HG2  VAL  28          3HG2      VAL  28   8.479   9.681  -5.792
  144   3HG2  VAL  28          2HG2      VAL  28   7.988   9.844  -4.106
  145    H    GLY  29           HN       GLY  29   3.657   7.084  -6.263
  146   1HA   GLY  29           HA1      GLY  29   1.536   7.303  -7.141
  147   2HA   GLY  29           HA2      GLY  29   2.186   8.510  -8.238
  148    H    GLU  30           HN       GLU  30   2.267  10.694  -7.574
  149    HA   GLU  30           HA       GLU  30   1.018  11.434  -5.071
  150   1HB   GLU  30           HB2      GLU  30   1.936  13.232  -7.315
  151   2HB   GLU  30           HB1      GLU  30   1.573  13.709  -5.662
  152   1HG   GLU  30           HG2      GLU  30   3.447  12.123  -4.975
  153   2HG   GLU  30           HG1      GLU  30   3.898  12.117  -6.680
  154    H    LEU  31           HN       LEU  31  -1.137  11.017  -5.069
  155    HA   LEU  31           HA       LEU  31  -2.773  11.668  -7.349
  156   1HB   LEU  31           HB2      LEU  31  -3.625  10.897  -4.556
  157   2HB   LEU  31           HB1      LEU  31  -4.663  10.995  -5.972
  158    HG   LEU  31           HG       LEU  31  -2.312   9.118  -5.875
  159   1HD1  LEU  31          1HD1      LEU  31  -4.567   8.978  -4.186
  160   2HD1  LEU  31          3HD1      LEU  31  -4.800   7.767  -5.447
  161   3HD1  LEU  31          2HD1      LEU  31  -3.339   7.742  -4.458
  162   1HD2  LEU  31          3HD2      LEU  31  -3.987   9.902  -7.896
  163   2HD2  LEU  31          2HD2      LEU  31  -3.050   8.410  -7.869
  164   3HD2  LEU  31          1HD2      LEU  31  -4.735   8.407  -7.337
  165    H    GLN  32           HN       GLN  32  -4.389  13.309  -7.385
  166    HA   GLN  32           HA       GLN  32  -4.085  15.394  -5.329
  167   1HB   GLN  32           HB2      GLN  32  -3.164  15.596  -7.923
  168   2HB   GLN  32           HB1      GLN  32  -4.727  16.396  -8.003
  169   1HG   GLN  32           HG2      GLN  32  -3.411  18.163  -7.450
  170   2HG   GLN  32           HG1      GLN  32  -3.850  17.598  -5.840
  171   1HE2  GLN  32          1HE2      GLN  32  -1.358  17.330  -8.325
  172   2HE2  GLN  32          2HE2      GLN  32  -0.041  17.094  -7.232
  173    H    GLY  33           HN       GLY  33  -5.931  16.203  -4.532
  174   1HA   GLY  33           HA1      GLY  33  -8.300  16.758  -5.739
  175   2HA   GLY  33           HA2      GLY  33  -8.197  16.249  -4.062
  176    H    ALA  34           HN       ALA  34 -10.312  15.747  -5.975
  177    HA   ALA  34           HA       ALA  34 -10.438  12.852  -5.649
  178   1HB   ALA  34           HB1      ALA  34 -12.493  14.930  -6.364
  179   2HB   ALA  34           HB2      ALA  34 -12.389  13.944  -4.905
  180   3HB   ALA  34           HB3      ALA  34 -12.823  13.199  -6.444
  181    H    GLY  35           HN       GLY  35 -11.230  11.500  -7.450
  182   1HA   GLY  35           HA1      GLY  35 -10.723  12.580 -10.126
  183   2HA   GLY  35           HA2      GLY  35 -11.571  11.086  -9.764
  184    H    SER  36           HN       SER  36  -8.573  11.774  -8.160
  185    HA   SER  36           HA       SER  36  -6.854  10.529 -10.046
  186   1HB   SER  36           HB2      SER  36  -5.814  10.444  -7.360
  187   2HB   SER  36           HB1      SER  36  -5.282  11.426  -8.724
  188    HG   SER  36           HG       SER  36  -6.301  12.372  -6.618
  189    H    ALA  37           HN       ALA  37  -5.702   8.528  -9.777
  190    HA   ALA  37           HA       ALA  37  -6.564   6.625  -7.832
  191   1HB   ALA  37           HB2      ALA  37  -7.225   5.792 -10.615
  192   2HB   ALA  37           HB3      ALA  37  -8.384   6.730  -9.674
  193   3HB   ALA  37           HB1      ALA  37  -7.830   5.163  -9.081
  194    H    VAL  38           HN       VAL  38  -4.739   5.697  -7.312
  195    HA   VAL  38           HA       VAL  38  -2.779   5.069  -9.418
  196    HB   VAL  38           HB       VAL  38  -1.799   4.487  -6.754
  197   1HG1  VAL  38          3HG1      VAL  38  -0.745   5.203  -9.130
  198   2HG1  VAL  38          2HG1      VAL  38  -0.623   6.726  -8.239
  199   3HG1  VAL  38          1HG1      VAL  38   0.122   5.255  -7.592
  200   1HG2  VAL  38          3HG2      VAL  38  -3.469   6.644  -6.566
  201   2HG2  VAL  38          2HG2      VAL  38  -2.091   6.329  -5.524
  202   3HG2  VAL  38          1HG2      VAL  38  -1.921   7.405  -6.913
  203    H    ILE  39           HN       ILE  39  -3.865   3.213 -10.158
  204    HA   ILE  39           HA       ILE  39  -4.471   1.125  -8.239
  205    HB   ILE  39           HB       ILE  39  -4.789   0.978 -11.236
  206   1HG1  ILE  39          2HG1      ILE  39  -6.010   2.922 -10.419
  207   2HG1  ILE  39          1HG1      ILE  39  -7.142   1.640 -10.839
  208   1HG2  ILE  39          3HG2      ILE  39  -5.819  -0.622  -8.919
  209   2HG2  ILE  39          2HG2      ILE  39  -6.643  -0.622 -10.477
  210   3HG2  ILE  39          1HG2      ILE  39  -4.974  -1.178 -10.364
  211   1HD1  ILE  39          1HD1      ILE  39  -6.798   1.106  -8.237
  212   2HD1  ILE  39          3HD1      ILE  39  -6.527   2.848  -8.228
  213   3HD1  ILE  39          2HD1      ILE  39  -8.040   2.194  -8.855
  214    H    TRP  40           HN       TRP  40  -3.083  -0.331  -7.661
  215    HA   TRP  40           HA       TRP  40  -0.651  -0.802  -9.166
  216   1HB   TRP  40           HB2      TRP  40  -1.573  -1.126  -6.430
  217   2HB   TRP  40           HB1      TRP  40  -0.737  -2.564  -7.002
  218    HD1  TRP  40           HD1      TRP  40   1.845  -2.163  -7.878
  219    HE1  TRP  40           HE1      TRP  40   3.607  -0.518  -7.003
  220    HE3  TRP  40           HE3      TRP  40  -1.224   1.140  -5.478
  221    HZ2  TRP  40           HZ2      TRP  40   3.693   1.868  -5.479
  222    HZ3  TRP  40           HZ3      TRP  40  -0.231   3.069  -4.334
  223    HH2  TRP  40           HH2      TRP  40   2.179   3.430  -4.329
  224    H    ASN  41           HN       ASN  41  -0.041  -2.781 -10.058
  225    HA   ASN  41           HA       ASN  41  -2.186  -4.792 -10.299
  226   1HB   ASN  41           HB2      ASN  41  -0.122  -4.112 -12.407
  227   2HB   ASN  41           HB1      ASN  41  -1.457  -5.249 -12.569
  228   1HD2  ASN  41          1HD2      ASN  41  -0.911  -3.017 -14.244
  229   2HD2  ASN  41          2HD2      ASN  41  -2.258  -1.941 -14.128
  230    H    VAL  42           HN       VAL  42  -1.622  -6.530  -9.157
  231    HA   VAL  42           HA       VAL  42   1.046  -7.666  -9.533
  232    HB   VAL  42           HB       VAL  42   1.269  -8.095  -7.095
  233   1HG1  VAL  42          2HG1      VAL  42   1.927  -5.842  -8.511
  234   2HG1  VAL  42          1HG1      VAL  42   1.115  -5.183  -7.091
  235   3HG1  VAL  42          3HG1      VAL  42   2.508  -6.247  -6.897
  236   1HG2  VAL  42          2HG2      VAL  42  -1.381  -7.344  -6.986
  237   2HG2  VAL  42          1HG2      VAL  42  -0.310  -7.569  -5.604
  238   3HG2  VAL  42          3HG2      VAL  42  -0.539  -5.960  -6.289
  239    H    ASP  43           HN       ASP  43   1.074  -9.785  -8.008
  240    HA   ASP  43           HA       ASP  43  -1.485 -11.189  -8.278
  241   1HB   ASP  43           HB2      ASP  43   1.152 -12.362  -9.184
  242   2HB   ASP  43           HB1      ASP  43  -0.436 -13.113  -9.304
  243    H    VAL  44           HN       VAL  44  -2.000 -12.167  -6.440
  244    HA   VAL  44           HA       VAL  44  -0.476 -12.131  -4.135
  245    HB   VAL  44           HB       VAL  44  -2.629 -14.144  -4.800
  246   1HG1  VAL  44          1HG1      VAL  44  -1.021 -13.736  -2.463
  247   2HG1  VAL  44          3HG1      VAL  44  -2.709 -13.376  -2.096
  248   3HG1  VAL  44          2HG1      VAL  44  -2.266 -14.949  -2.763
  249   1HG2  VAL  44          2HG2      VAL  44  -2.715 -11.275  -4.017
  250   2HG2  VAL  44          1HG2      VAL  44  -3.741 -12.172  -5.137
  251   3HG2  VAL  44          3HG2      VAL  44  -3.957 -12.361  -3.398
  252    HA   PRO  45           HA       PRO  45   2.564 -15.290  -5.026
  253   1HB   PRO  45           HB2      PRO  45   3.628 -15.414  -2.510
  254   2HB   PRO  45           HB1      PRO  45   4.043 -14.171  -3.695
  255   1HG   PRO  45           HG2      PRO  45   2.134 -14.038  -1.400
  256   2HG   PRO  45           HG1      PRO  45   3.289 -12.821  -1.965
  257   1HD   PRO  45           HD2      PRO  45   0.656 -12.673  -2.528
  258   2HD   PRO  45           HD1      PRO  45   1.899 -12.104  -3.663
  259    H    VAL  46           HN       VAL  46   0.765 -15.513  -1.935
  260    HA   VAL  46           HA       VAL  46   0.084 -18.264  -2.587
  261    HB   VAL  46           HB       VAL  46   0.738 -18.539   0.091
  262   1HG1  VAL  46          1HG1      VAL  46   0.939 -20.216  -1.672
  263   2HG1  VAL  46          3HG1      VAL  46   2.349 -19.371  -2.313
  264   3HG1  VAL  46          2HG1      VAL  46   2.413 -20.102  -0.709
  265   1HG2  VAL  46          1HG2      VAL  46   2.754 -16.798  -1.271
  266   2HG2  VAL  46          3HG2      VAL  46   2.152 -16.740   0.387
  267   3HG2  VAL  46          2HG2      VAL  46   3.282 -18.003  -0.097
  268    H    THR  47           HN       THR  47  -1.092 -19.167  -0.415
  269    HA   THR  47           HA       THR  47  -3.330 -17.329  -0.070
  270    HB   THR  47           HB       THR  47  -3.664 -19.917   1.190
  271    HG1  THR  47           HG1      THR  47  -3.540 -21.137  -0.727
  272   1HG2  THR  47          1HG2      THR  47  -5.179 -18.105  -0.363
  273   2HG2  THR  47          3HG2      THR  47  -5.207 -19.675  -1.166
  274   3HG2  THR  47          2HG2      THR  47  -5.725 -19.535   0.514
  275    H    GLY  48           HN       GLY  48  -2.838 -15.906   1.515
  276   1HA   GLY  48           HA1      GLY  48  -1.331 -16.225   3.783
  277   2HA   GLY  48           HA2      GLY  48  -2.919 -16.837   4.223
  278    H    GLU  49           HN       GLU  49  -2.262 -14.814   5.724
  279    HA   GLU  49           HA       GLU  49  -3.927 -12.652   4.712
  280   1HB   GLU  49           HB2      GLU  49  -4.406 -13.488   6.956
  281   2HB   GLU  49           HB1      GLU  49  -2.770 -13.093   7.468
  282   1HG   GLU  49           HG2      GLU  49  -3.180 -10.758   7.270
  283   2HG   GLU  49           HG1      GLU  49  -4.717 -11.046   6.448
  284    H    TYR  50           HN       TYR  50  -3.064 -10.977   3.730
  285    HA   TYR  50           HA       TYR  50  -0.295 -10.233   4.386
  286   1HB   TYR  50           HB2      TYR  50  -1.869  -9.715   1.852
  287   2HB   TYR  50           HB1      TYR  50  -0.216  -9.191   2.149
  288    HD1  TYR  50           HD1      TYR  50   1.276 -10.388   0.872
  289    HD2  TYR  50           HD2      TYR  50  -2.026 -12.441   2.597
  290    HE1  TYR  50           HE1      TYR  50   2.115 -12.508  -0.049
  291    HE2  TYR  50           HE2      TYR  50  -1.195 -14.562   1.684
  292    HH   TYR  50           HH       TYR  50   1.930 -14.887   0.364
  293    H    ARG  51           HN       ARG  51  -0.163  -8.499   5.635
  294    HA   ARG  51           HA       ARG  51  -2.398  -6.711   5.904
  295   1HB   ARG  51           HB2      ARG  51  -0.863  -5.531   7.528
  296   2HB   ARG  51           HB1      ARG  51  -1.239  -7.210   7.904
  297   1HG   ARG  51           HG2      ARG  51   0.898  -7.942   7.237
  298   2HG   ARG  51           HG1      ARG  51   1.265  -6.405   6.455
  299   1HD   ARG  51           HD2      ARG  51   0.603  -6.263   9.325
  300   2HD   ARG  51           HD1      ARG  51   2.111  -7.084   8.926
  301    HE   ARG  51           HE       ARG  51   1.739  -4.508   7.666
  302   1HH1  ARG  51          1HH1      ARG  51   3.041  -6.242  10.404
  303   2HH1  ARG  51          2HH1      ARG  51   4.191  -5.010  10.794
  304   1HH2  ARG  51          1HH2      ARG  51   3.252  -2.888   8.180
  305   2HH2  ARG  51          2HH2      ARG  51   4.311  -3.105   9.534
  306    H    ILE  52           HN       ILE  52  -2.710  -4.851   4.922
  307    HA   ILE  52           HA       ILE  52  -0.941  -4.009   2.832
  308    HB   ILE  52           HB       ILE  52  -3.488  -2.738   3.848
  309   1HG1  ILE  52          2HG1      ILE  52  -4.117  -4.851   3.038
  310   2HG1  ILE  52          1HG1      ILE  52  -4.361  -3.792   1.654
  311   1HG2  ILE  52          2HG2      ILE  52  -2.037  -1.181   2.605
  312   2HG2  ILE  52          1HG2      ILE  52  -2.043  -2.299   1.242
  313   3HG2  ILE  52          3HG2      ILE  52  -3.544  -1.522   1.750
  314   1HD1  ILE  52          3HD1      ILE  52  -1.971  -5.551   2.117
  315   2HD1  ILE  52          2HD1      ILE  52  -3.317  -5.896   1.028
  316   3HD1  ILE  52          1HD1      ILE  52  -2.249  -4.522   0.708
  317    H    ASN  53           HN       ASN  53   0.456  -2.376   2.797
  318    HA   ASN  53           HA       ASN  53   0.476  -0.455   5.017
  319   1HB   ASN  53           HB2      ASN  53   2.543  -2.402   4.314
  320   2HB   ASN  53           HB1      ASN  53   3.150  -0.750   4.381
  321   1HD2  ASN  53          1HD2      ASN  53   0.710  -2.510   6.260
  322   2HD2  ASN  53          2HD2      ASN  53   1.426  -2.199   7.800
  323    H    LEU  54           HN       LEU  54   0.011   1.441   4.046
  324    HA   LEU  54           HA       LEU  54   1.132   1.934   1.392
  325   1HB   LEU  54           HB2      LEU  54  -1.274   2.882   2.818
  326   2HB   LEU  54           HB1      LEU  54  -0.474   4.079   1.818
  327    HG   LEU  54           HG       LEU  54  -2.005   1.663   1.025
  328   1HD1  LEU  54          2HD1      LEU  54  -1.578   4.395  -0.163
  329   2HD1  LEU  54          1HD1      LEU  54  -2.594   3.136  -0.871
  330   3HD1  LEU  54          3HD1      LEU  54  -3.000   3.817   0.708
  331   1HD2  LEU  54          1HD2      LEU  54   0.506   2.575  -0.340
  332   2HD2  LEU  54          3HD2      LEU  54  -0.023   0.933   0.024
  333   3HD2  LEU  54          2HD2      LEU  54  -0.814   1.854  -1.257
  334    H    THR  55           HN       THR  55   2.795   3.171   1.099
  335    HA   THR  55           HA       THR  55   3.765   4.821   3.312
  336    HB   THR  55           HB       THR  55   5.347   4.595   0.816
  337    HG1  THR  55           HG1      THR  55   4.740   2.386   2.468
  338   1HG2  THR  55          3HG2      THR  55   5.843   5.184   3.533
  339   2HG2  THR  55          2HG2      THR  55   6.723   3.712   3.128
  340   3HG2  THR  55          1HG2      THR  55   6.975   5.177   2.181
  341    H    TRP  56           HN       TRP  56   3.273   6.912   3.333
  342    HA   TRP  56           HA       TRP  56   3.184   8.369   0.793
  343   1HB   TRP  56           HB2      TRP  56   1.128   9.566   1.598
  344   2HB   TRP  56           HB1      TRP  56   0.878   7.869   1.202
  345    HD1  TRP  56           HD1      TRP  56   1.248   6.233   3.617
  346    HE1  TRP  56           HE1      TRP  56   0.066   6.658   5.875
  347    HE3  TRP  56           HE3      TRP  56   0.022  11.156   2.995
  348    HZ2  TRP  56           HZ2      TRP  56  -1.206   8.778   7.201
  349    HZ3  TRP  56           HZ3      TRP  56  -1.180  12.308   4.807
  350    HH2  TRP  56           HH2      TRP  56  -1.779  11.135   6.864
  351    H    SER  57           HN       SER  57   3.091  10.763   1.156
  352    HA   SER  57           HA       SER  57   4.117  11.737   3.690
  353   1HB   SER  57           HB2      SER  57   5.994  12.914   2.194
  354   2HB   SER  57           HB1      SER  57   6.258  11.341   2.945
  355    HG   SER  57           HG       SER  57   6.800  11.423   0.686
  356    H    SER  58           HN       SER  58   1.925  12.661   3.348
  357    HA   SER  58           HA       SER  58   2.014  15.027   1.594
  358   1HB   SER  58           HB2      SER  58   0.262  13.349   1.053
  359   2HB   SER  58           HB1      SER  58  -0.436  13.607   2.652
  360    HG   SER  58           HG       SER  58  -1.486  14.899   1.123
  361    HA   PRO  59           HA       PRO  59   2.036  16.848   5.778
  362   1HB   PRO  59           HB2      PRO  59   3.416  19.086   4.550
  363   2HB   PRO  59           HB1      PRO  59   4.017  17.943   5.751
  364   1HG   PRO  59           HG2      PRO  59   4.923  18.042   3.178
  365   2HG   PRO  59           HG1      PRO  59   4.947  16.575   4.171
  366   1HD   PRO  59           HD2      PRO  59   3.008  17.388   2.036
  367   2HD   PRO  59           HD1      PRO  59   3.704  15.790   2.377
  368    H    TYR  60           HN       TYR  60  -0.281  17.175   5.530
  369    HA   TYR  60           HA       TYR  60  -0.921  19.900   4.617
  370   1HB   TYR  60           HB2      TYR  60  -1.850  18.378   2.999
  371   2HB   TYR  60           HB1      TYR  60  -2.571  17.391   4.265
  372    HD1  TYR  60           HD1      TYR  60  -2.602  21.099   4.027
  373    HD2  TYR  60           HD2      TYR  60  -4.851  17.500   3.710
  374    HE1  TYR  60           HE1      TYR  60  -4.674  22.414   3.869
  375    HE2  TYR  60           HE2      TYR  60  -6.929  18.805   3.552
  376    HH   TYR  60           HH       TYR  60  -7.786  20.978   4.101
  377    H    SER  61           HN       SER  61  -3.015  17.499   6.168
  378    HA   SER  61           HA       SER  61  -2.820  18.394   8.802
  379   1HB   SER  61           HB2      SER  61  -5.172  19.617   8.717
  380   2HB   SER  61           HB1      SER  61  -3.675  20.501   8.426
  381    HG   SER  61           HG       SER  61  -4.602  21.014   6.612
  382    H    SER  62           HN       SER  62  -4.836  17.116   6.252
  383    HA   SER  62           HA       SER  62  -5.440  14.692   7.183
  384   1HB   SER  62           HB2      SER  62  -6.378  15.291   9.239
  385   2HB   SER  62           HB1      SER  62  -7.184  16.711   8.570
  386    HG   SER  62           HG       SER  62  -8.769  15.470   7.794
  387    H    LYS  63           HN       LYS  63  -6.478  13.663   5.586
  388    HA   LYS  63           HA       LYS  63  -8.342  15.199   3.900
  389   1HB   LYS  63           HB2      LYS  63  -6.403  13.157   2.820
  390   2HB   LYS  63           HB1      LYS  63  -7.413  14.269   1.906
  391   1HG   LYS  63           HG2      LYS  63  -5.917  15.918   2.043
  392   2HG   LYS  63           HG1      LYS  63  -5.593  15.608   3.749
  393   1HD   LYS  63           HD2      LYS  63  -4.418  13.450   2.667
  394   2HD   LYS  63           HD1      LYS  63  -4.222  14.593   1.336
  395   1HE   LYS  63           HE2      LYS  63  -2.307  14.574   2.911
  396   2HE   LYS  63           HE1      LYS  63  -3.083  16.150   2.767
  397   1HZ   LYS  63           HZ1      LYS  63  -3.906  14.309   4.909
  398   2HZ   LYS  63           HZ3      LYS  63  -2.492  15.223   5.089
  399   3HZ   LYS  63           HZ2      LYS  63  -3.979  15.997   4.864
  400    H    VAL  64           HN       VAL  64  -9.629  13.630   2.420
  401    HA   VAL  64           HA       VAL  64 -10.280  11.191   3.956
  402    HB   VAL  64           HB       VAL  64 -12.275  12.920   2.488
  403   1HG1  VAL  64          1HG1      VAL  64 -12.423  10.334   3.940
  404   2HG1  VAL  64          3HG1      VAL  64 -13.780  11.450   4.093
  405   3HG1  VAL  64          2HG1      VAL  64 -13.285  10.876   2.500
  406   1HG2  VAL  64          1HG2      VAL  64 -11.088  13.615   4.823
  407   2HG2  VAL  64          3HG2      VAL  64 -12.728  14.074   4.365
  408   3HG2  VAL  64          2HG2      VAL  64 -12.462  12.679   5.412
  409    H    ASN  65           HN       ASN  65  -8.904  10.008   2.502
  410    HA   ASN  65           HA       ASN  65  -9.900   9.847  -0.261
  411   1HB   ASN  65           HB2      ASN  65  -7.446   8.356   0.367
  412   2HB   ASN  65           HB1      ASN  65  -7.793   9.445  -0.971
  413   1HD2  ASN  65          1HD2      ASN  65  -8.352  11.779   0.295
  414   2HD2  ASN  65          2HD2      ASN  65  -6.951  12.337   1.138
  415    H    THR  66           HN       THR  66  -9.681   7.632  -1.264
  416    HA   THR  66           HA       THR  66 -10.647   5.587   0.623
  417    HB   THR  66           HB       THR  66 -11.418   6.003  -2.274
  418    HG1  THR  66           HG1      THR  66 -12.354   7.361  -0.523
  419   1HG2  THR  66          2HG2      THR  66 -12.294   3.887  -0.329
  420   2HG2  THR  66          1HG2      THR  66 -13.120   4.254  -1.843
  421   3HG2  THR  66          3HG2      THR  66 -11.462   3.653  -1.866
  422    H    LEU  67           HN       LEU  67  -9.075   4.168   0.941
  423    HA   LEU  67           HA       LEU  67  -7.014   3.710  -1.010
  424   1HB   LEU  67           HB2      LEU  67  -6.297   3.709   1.221
  425   2HB   LEU  67           HB1      LEU  67  -7.604   2.672   1.736
  426    HG   LEU  67           HG       LEU  67  -6.560   0.749   0.720
  427   1HD1  LEU  67          1HD1      LEU  67  -4.500   2.698  -0.274
  428   2HD1  LEU  67          3HD1      LEU  67  -4.345   0.945  -0.321
  429   3HD1  LEU  67          2HD1      LEU  67  -5.615   1.738  -1.248
  430   1HD2  LEU  67          1HD2      LEU  67  -5.578   2.108   2.904
  431   2HD2  LEU  67          3HD2      LEU  67  -5.177   0.454   2.445
  432   3HD2  LEU  67          2HD2      LEU  67  -4.135   1.786   1.946
  433    H    VAL  68           HN       VAL  68  -7.000   2.232  -2.551
  434    HA   VAL  68           HA       VAL  68  -9.116   0.202  -2.607
  435    HB   VAL  68           HB       VAL  68  -7.318   0.674  -4.939
  436   1HG1  VAL  68          1HG1      VAL  68 -10.200  -0.048  -4.528
  437   2HG1  VAL  68          3HG1      VAL  68  -9.576   0.447  -6.103
  438   3HG1  VAL  68          2HG1      VAL  68  -8.924  -0.986  -5.306
  439   1HG2  VAL  68          3HG2      VAL  68  -9.376   2.625  -3.950
  440   2HG2  VAL  68          2HG2      VAL  68  -7.712   2.933  -4.443
  441   3HG2  VAL  68          1HG2      VAL  68  -8.927   2.522  -5.652
  442    H    MET  69           HN       MET  69  -8.314  -1.513  -1.419
  443    HA   MET  69           HA       MET  69  -5.916  -2.793  -2.537
  444   1HB   MET  69           HB2      MET  69  -6.560  -2.580   0.408
  445   2HB   MET  69           HB1      MET  69  -5.197  -3.447  -0.287
  446   1HG   MET  69           HG2      MET  69  -5.495  -0.576  -0.953
  447   2HG   MET  69           HG1      MET  69  -4.969  -0.996   0.676
  448   1HE   MET  69           HE1      MET  69  -2.956   0.070   0.717
  449   2HE   MET  69           HE3      MET  69  -1.445  -0.531   0.033
  450   3HE   MET  69           HE2      MET  69  -2.426   0.615  -0.876
  451    H    ASP  70           HN       ASP  70  -6.122  -4.892  -2.982
  452    HA   ASP  70           HA       ASP  70  -7.021  -6.965  -3.213
  453   1HB   ASP  70           HB2      ASP  70  -6.657  -7.037  -0.756
  454   2HB   ASP  70           HB1      ASP  70  -8.286  -6.410  -0.520
  455    H    GLY  71           HN       GLY  71  -8.381  -4.817  -4.418
  456   1HA   GLY  71           HA1      GLY  71 -10.840  -6.050  -5.063
  457   2HA   GLY  71           HA2      GLY  71 -10.347  -4.433  -5.543
  458    H    THR  72           HN       THR  72  -9.985  -4.002  -2.473
  459    HA   THR  72           HA       THR  72 -12.831  -3.658  -1.823
  460    HB   THR  72           HB       THR  72 -10.488  -3.518   0.077
  461    HG1  THR  72           HG1      THR  72 -10.431  -5.594  -0.066
  462   1HG2  THR  72          3HG2      THR  72 -13.363  -3.214   0.390
  463   2HG2  THR  72          2HG2      THR  72 -12.657  -4.414   1.473
  464   3HG2  THR  72          1HG2      THR  72 -12.044  -2.760   1.469
  465    H    ALA  73           HN       ALA  73 -13.568  -1.709  -0.957
  466    HA   ALA  73           HA       ALA  73 -11.892   0.611  -1.640
  467   1HB   ALA  73           HB2      ALA  73 -14.767   1.058  -1.240
  468   2HB   ALA  73           HB3      ALA  73 -14.359   0.010  -2.599
  469   3HB   ALA  73           HB1      ALA  73 -13.692   1.640  -2.511
  470    H    LEU  74           HN       LEU  74 -10.888   0.254   0.511
  471    HA   LEU  74           HA       LEU  74 -12.494   0.724   2.832
  472   1HB   LEU  74           HB2      LEU  74 -10.509   0.483   4.101
  473   2HB   LEU  74           HB1      LEU  74 -10.458  -0.717   2.824
  474    HG   LEU  74           HG       LEU  74  -9.106   1.446   1.733
  475   1HD1  LEU  74          1HD1      LEU  74  -8.537   1.216   4.672
  476   2HD1  LEU  74          3HD1      LEU  74  -7.355   1.843   3.524
  477   3HD1  LEU  74          2HD1      LEU  74  -8.901   2.664   3.733
  478   1HD2  LEU  74          2HD2      LEU  74  -8.303  -1.153   2.955
  479   2HD2  LEU  74          1HD2      LEU  74  -8.227  -0.628   1.273
  480   3HD2  LEU  74          3HD2      LEU  74  -7.054  -0.016   2.441
  481    H    SER  75           HN       SER  75 -13.345   2.668   3.089
  482    HA   SER  75           HA       SER  75 -11.969   5.061   2.242
  483   1HB   SER  75           HB2      SER  75 -14.308   5.109   1.897
  484   2HB   SER  75           HB1      SER  75 -14.641   4.515   3.523
  485    HG   SER  75           HG       SER  75 -13.985   6.494   4.348
  486    H    TYR  76           HN       TYR  76 -10.886   6.474   3.503
  487    HA   TYR  76           HA       TYR  76 -11.212   6.530   6.347
  488   1HB   TYR  76           HB2      TYR  76  -8.942   5.879   6.954
  489   2HB   TYR  76           HB1      TYR  76  -9.779   4.562   6.151
  490    HD1  TYR  76           HD1      TYR  76  -9.100   6.485   3.450
  491    HD2  TYR  76           HD2      TYR  76  -6.994   4.277   6.408
  492    HE1  TYR  76           HE1      TYR  76  -7.212   6.238   1.905
  493    HE2  TYR  76           HE2      TYR  76  -5.093   4.024   4.870
  494    HH   TYR  76           HH       TYR  76  -4.606   4.095   2.518
  495    H    ALA  77           HN       ALA  77 -10.161   8.260   7.370
  496    HA   ALA  77           HA       ALA  77  -9.584  10.453   5.562
  497   1HB   ALA  77           HB3      ALA  77  -9.541  10.711   8.537
  498   2HB   ALA  77           HB1      ALA  77 -11.075  10.508   7.692
  499   3HB   ALA  77           HB2      ALA  77 -10.037  11.883   7.317
  500    H    PHE  78           HN       PHE  78  -7.547  10.367   4.776
  501    HA   PHE  78           HA       PHE  78  -5.310   9.358   6.110
  502   1HB   PHE  78           HB2      PHE  78  -5.856  10.617   3.601
  503   2HB   PHE  78           HB1      PHE  78  -4.439  11.384   4.309
  504    HD1  PHE  78           HD1      PHE  78  -2.887  10.565   2.693
  505    HD2  PHE  78           HD2      PHE  78  -5.320   7.855   4.898
  506    HE1  PHE  78           HE1      PHE  78  -1.490   8.688   1.930
  507    HE2  PHE  78           HE2      PHE  78  -3.923   5.980   4.141
  508    HZ   PHE  78           HZ       PHE  78  -2.009   6.393   2.651
  509    H    ALA  79           HN       ALA  79  -3.627  10.307   7.210
  510    HA   ALA  79           HA       ALA  79  -4.343  12.614   8.788
  511   1HB   ALA  79           HB2      ALA  79  -1.971  12.066   9.751
  512   2HB   ALA  79           HB3      ALA  79  -2.176  10.562   8.848
  513   3HB   ALA  79           HB1      ALA  79  -3.340  11.010  10.097
  514    H    GLU  80           HN       GLU  80  -2.255  14.030   9.339
  515    HA   GLU  80           HA       GLU  80  -1.566  15.369   6.856
  516   1HB   GLU  80           HB2      GLU  80  -1.026  17.242   8.165
  517   2HB   GLU  80           HB1      GLU  80  -2.382  16.514   9.010
  518   1HG   GLU  80           HG2      GLU  80  -0.223  15.300  10.185
  519   2HG   GLU  80           HG1      GLU  80   0.353  16.939   9.890
  520    H    ALA  81           HN       ALA  81  -0.368  12.840   7.214
  521    HA   ALA  81           HA       ALA  81   2.127  12.723   8.352
  522   1HB   ALA  81           HB3      ALA  81   2.618  10.914   6.871
  523   2HB   ALA  81           HB1      ALA  81   1.409  11.465   5.713
  524   3HB   ALA  81           HB2      ALA  81   0.906  10.836   7.283
  525    H    THR  82           HN       THR  82   4.206  12.480   7.054
  526    HA   THR  82           HA       THR  82   4.605  14.245   4.829
  527    HB   THR  82           HB       THR  82   4.680  16.008   6.341
  528    HG1  THR  82           HG1      THR  82   6.627  15.912   5.159
  529   1HG2  THR  82          3HG2      THR  82   5.193  14.052   8.303
  530   2HG2  THR  82          2HG2      THR  82   6.509  15.224   8.374
  531   3HG2  THR  82          1HG2      THR  82   4.837  15.765   8.530
  532    H    VAL  83           HN       VAL  83   6.165  12.593   7.539
  533    HA   VAL  83           HA       VAL  83   8.490  11.879   5.967
  534    HB   VAL  83           HB       VAL  83   7.839  10.666   8.636
  535   1HG1  VAL  83          2HG1      VAL  83  10.327  11.369   7.127
  536   2HG1  VAL  83          1HG1      VAL  83  10.365  11.098   8.869
  537   3HG1  VAL  83          3HG1      VAL  83   9.826   9.813   7.789
  538   1HG2  VAL  83          3HG2      VAL  83   8.507  13.524   8.101
  539   2HG2  VAL  83          2HG2      VAL  83   7.408  12.828   9.293
  540   3HG2  VAL  83          1HG2      VAL  83   9.152  12.740   9.544
  541    HA   PRO  84           HA       PRO  84   7.029   8.140   4.081
  542   1HB   PRO  84           HB2      PRO  84   9.416   6.936   5.441
  543   2HB   PRO  84           HB1      PRO  84   8.837   6.709   3.785
  544   1HG   PRO  84           HG2      PRO  84  10.868   8.351   4.287
  545   2HG   PRO  84           HG1      PRO  84   9.638   8.772   3.081
  546   1HD   PRO  84           HD2      PRO  84  10.088   9.888   5.787
  547   2HD   PRO  84           HD1      PRO  84   9.368  10.652   4.360
  548    H    VAL  85           HN       VAL  85   5.194   8.103   5.559
  549    HA   VAL  85           HA       VAL  85   5.474   6.282   7.845
  550    HB   VAL  85           HB       VAL  85   3.117   8.030   7.110
  551   1HG1  VAL  85          3HG1      VAL  85   3.307   5.848   8.866
  552   2HG1  VAL  85          2HG1      VAL  85   3.285   7.292   9.879
  553   3HG1  VAL  85          1HG1      VAL  85   1.984   7.006   8.722
  554   1HG2  VAL  85          1HG2      VAL  85   5.618   8.665   8.428
  555   2HG2  VAL  85          3HG2      VAL  85   4.330   9.738   7.880
  556   3HG2  VAL  85          2HG2      VAL  85   4.231   8.982   9.470
  557    H    THR  86           HN       THR  86   4.321   4.379   7.982
  558    HA   THR  86           HA       THR  86   2.994   3.534   5.496
  559    HB   THR  86           HB       THR  86   3.424   1.224   6.901
  560    HG1  THR  86           HG1      THR  86   4.656   2.457   8.443
  561   1HG2  THR  86          1HG2      THR  86   4.750   2.576   4.676
  562   2HG2  THR  86          3HG2      THR  86   5.747   1.388   5.516
  563   3HG2  THR  86          2HG2      THR  86   4.194   0.909   4.832
  564    H    TYR  87           HN       TYR  87   0.901   3.099   5.497
  565    HA   TYR  87           HA       TYR  87  -0.559   3.142   8.025
  566   1HB   TYR  87           HB2      TYR  87  -1.705   4.547   6.620
  567   2HB   TYR  87           HB1      TYR  87  -1.214   3.677   5.174
  568    HD1  TYR  87           HD1      TYR  87  -2.471   1.695   4.433
  569    HD2  TYR  87           HD2      TYR  87  -3.737   3.998   7.780
  570    HE1  TYR  87           HE1      TYR  87  -4.682   0.635   4.316
  571    HE2  TYR  87           HE2      TYR  87  -5.956   2.947   7.670
  572    HH   TYR  87           HH       TYR  87  -7.367   1.766   6.195
  573    H    VAL  88           HN       VAL  88  -0.769   1.222   9.001
  574    HA   VAL  88           HA       VAL  88  -0.664  -1.242   7.524
  575    HB   VAL  88           HB       VAL  88  -1.298  -0.876  10.451
  576   1HG1  VAL  88          3HG1      VAL  88  -0.365  -3.240   8.829
  577   2HG1  VAL  88          2HG1      VAL  88  -0.354  -3.192  10.592
  578   3HG1  VAL  88          1HG1      VAL  88  -1.882  -3.076   9.716
  579   1HG2  VAL  88          1HG2      VAL  88   1.020  -0.083   9.220
  580   2HG2  VAL  88          3HG2      VAL  88   0.864  -0.533  10.919
  581   3HG2  VAL  88          2HG2      VAL  88   1.403  -1.726   9.736
  582    H    GLN  89           HN       GLN  89  -2.285  -2.289   6.660
  583    HA   GLN  89           HA       GLN  89  -4.948  -2.139   7.876
  584   1HB   GLN  89           HB2      GLN  89  -5.400  -0.685   6.137
  585   2HB   GLN  89           HB1      GLN  89  -4.188  -1.393   5.082
  586   1HG   GLN  89           HG2      GLN  89  -6.462  -1.768   4.269
  587   2HG   GLN  89           HG1      GLN  89  -5.635  -3.280   4.638
  588   1HE2  GLN  89          1HE2      GLN  89  -7.533  -4.423   4.897
  589   2HE2  GLN  89          2HE2      GLN  89  -8.578  -4.198   6.255
  590    H    THR  90           HN       THR  90  -5.361  -4.196   8.448
  591    HA   THR  90           HA       THR  90  -3.973  -6.354   7.170
  592    HB   THR  90           HB       THR  90  -5.491  -7.742   8.738
  593    HG1  THR  90           HG1      THR  90  -5.831  -5.254  10.023
  594   1HG2  THR  90          1HG2      THR  90  -3.478  -5.759   9.762
  595   2HG2  THR  90          3HG2      THR  90  -4.190  -7.030  10.759
  596   3HG2  THR  90          2HG2      THR  90  -3.226  -7.457   9.344
  597    H    LYS  91           HN       LYS  91  -4.527  -7.259   5.386
  598    HA   LYS  91           HA       LYS  91  -7.361  -7.714   4.770
  599   1HB   LYS  91           HB2      LYS  91  -5.936  -5.747   3.525
  600   2HB   LYS  91           HB1      LYS  91  -5.626  -7.110   2.459
  601   1HG   LYS  91           HG2      LYS  91  -8.293  -5.938   3.202
  602   2HG   LYS  91           HG1      LYS  91  -7.502  -5.917   1.624
  603   1HD   LYS  91           HD2      LYS  91  -7.944  -8.152   1.227
  604   2HD   LYS  91           HD1      LYS  91  -8.107  -8.532   2.942
  605   1HE   LYS  91           HE2      LYS  91 -10.051  -6.728   1.538
  606   2HE   LYS  91           HE1      LYS  91 -10.235  -8.481   1.508
  607   1HZ   LYS  91           HZ3      LYS  91 -10.210  -8.429   3.965
  608   2HZ   LYS  91           HZ2      LYS  91 -10.201  -6.737   3.911
  609   3HZ   LYS  91           HZ1      LYS  91 -11.523  -7.597   3.297
  610    H    THR  92           HN       THR  92  -7.543  -9.879   4.724
  611    HA   THR  92           HA       THR  92  -5.382 -11.623   4.323
  612    HB   THR  92           HB       THR  92  -8.170 -12.526   3.808
  613    HG1  THR  92           HG1      THR  92  -7.214 -11.682   6.338
  614   1HG2  THR  92          1HG2      THR  92  -5.904 -13.592   5.471
  615   2HG2  THR  92          3HG2      THR  92  -7.510 -14.319   5.379
  616   3HG2  THR  92          2HG2      THR  92  -6.497 -14.235   3.938
  617    H    LEU  93           HN       LEU  93  -4.308 -11.815   2.486
  618    HA   LEU  93           HA       LEU  93  -5.620 -11.399  -0.074
  619   1HB   LEU  93           HB2      LEU  93  -2.892 -11.336   0.965
  620   2HB   LEU  93           HB1      LEU  93  -2.999 -12.156  -0.578
  621    HG   LEU  93           HG       LEU  93  -3.709  -9.292   0.048
  622   1HD1  LEU  93          1HD1      LEU  93  -1.333 -10.315  -0.603
  623   2HD1  LEU  93          3HD1      LEU  93  -2.000 -10.089  -2.220
  624   3HD1  LEU  93          2HD1      LEU  93  -1.871  -8.717  -1.119
  625   1HD2  LEU  93          1HD2      LEU  93  -4.643 -11.060  -2.133
  626   2HD2  LEU  93          3HD2      LEU  93  -5.403  -9.635  -1.423
  627   3HD2  LEU  93          2HD2      LEU  93  -4.099  -9.447  -2.597
  628    H    SER  94           HN       SER  94  -5.904 -12.981  -1.639
  629    HA   SER  94           HA       SER  94  -5.392 -15.722  -0.766
  630   1HB   SER  94           HB2      SER  94  -7.618 -14.693  -2.529
  631   2HB   SER  94           HB1      SER  94  -7.327 -16.393  -2.161
  632    HG   SER  94           HG       SER  94  -7.510 -15.653   0.127
  633    H    ALA  95           HN       ALA  95  -4.811 -17.278  -2.338
  634    HA   ALA  95           HA       ALA  95  -2.862 -16.465  -4.155
  635   1HB   ALA  95           HB1      ALA  95  -4.283 -18.984  -3.551
  636   2HB   ALA  95           HB2      ALA  95  -2.552 -18.647  -3.636
  637   3HB   ALA  95           HB3      ALA  95  -3.478 -18.888  -5.119
  638    H    GLY  96           HN       GLY  96  -2.843 -16.022  -6.310
  639   1HA   GLY  96           HA1      GLY  96  -5.480 -15.916  -7.641
  640   2HA   GLY  96           HA2      GLY  96  -4.029 -16.442  -8.482
  641    H    ASN  97           HN       ASN  97  -5.676 -14.338  -9.357
  642    HA   ASN  97           HA       ASN  97  -3.727 -12.161  -9.301
  643   1HB   ASN  97           HB2      ASN  97  -4.982 -13.299 -11.404
  644   2HB   ASN  97           HB1      ASN  97  -6.104 -11.985 -11.065
  645   1HD2  ASN  97          1HD2      ASN  97  -4.817  -9.858 -10.538
  646   2HD2  ASN  97          2HD2      ASN  97  -3.628  -9.445 -11.721
  647    H    HIS  98           HN       HIS  98  -4.035 -10.532  -7.947
  648    HA   HIS  98           HA       HIS  98  -6.800  -9.776  -7.262
  649   1HB   HIS  98           HB2      HIS  98  -4.320  -9.895  -5.569
  650   2HB   HIS  98           HB1      HIS  98  -5.655  -8.832  -5.133
  651    HD1  HIS  98           HD1      HIS  98  -6.806  -9.955  -3.249
  652    HD2  HIS  98           HD2      HIS  98  -5.839 -12.620  -6.287
  653    HE1  HIS  98           HE1      HIS  98  -7.819 -12.153  -2.564
  654    HE2  HIS  98           HE2      HIS  98  -7.147 -13.770  -4.375
  655    H    SER  99           HN       SER  99  -6.928  -7.438  -6.472
  656    HA   SER  99           HA       SER  99  -5.186  -5.752  -8.148
  657   1HB   SER  99           HB2      SER  99  -7.038  -4.367  -8.726
  658   2HB   SER  99           HB1      SER  99  -7.565  -6.030  -8.981
  659    HG   SER  99           HG       SER  99  -9.075  -4.656  -7.821
  660    H    PHE 100           HN       PHE 100  -4.090  -4.259  -7.112
  661    HA   PHE 100           HA       PHE 100  -5.052  -3.318  -4.488
  662   1HB   PHE 100           HB2      PHE 100  -2.305  -4.089  -5.421
  663   2HB   PHE 100           HB1      PHE 100  -2.483  -2.873  -4.162
  664    HD1  PHE 100           HD1      PHE 100  -4.159  -3.588  -2.233
  665    HD2  PHE 100           HD2      PHE 100  -2.045  -6.270  -4.763
  666    HE1  PHE 100           HE1      PHE 100  -4.394  -5.354  -0.539
  667    HE2  PHE 100           HE2      PHE 100  -2.277  -8.049  -3.077
  668    HZ   PHE 100           HZ       PHE 100  -3.454  -7.591  -0.962
  669    H    GLY 101           HN       GLY 101  -4.082  -1.061  -3.944
  670   1HA   GLY 101           HA1      GLY 101  -4.493   0.563  -6.327
  671   2HA   GLY 101           HA2      GLY 101  -2.933   0.709  -5.556
  672    H    VAL 102           HN       VAL 102  -4.561   2.838  -5.935
  673    HA   VAL 102           HA       VAL 102  -5.957   3.445  -3.464
  674    HB   VAL 102           HB       VAL 102  -4.155   5.654  -4.055
  675   1HG1  VAL 102          2HG1      VAL 102  -5.594   4.842  -1.948
  676   2HG1  VAL 102          1HG1      VAL 102  -4.011   4.209  -1.489
  677   3HG1  VAL 102          3HG1      VAL 102  -4.212   5.932  -1.822
  678   1HG2  VAL 102          2HG2      VAL 102  -2.650   3.755  -4.697
  679   2HG2  VAL 102          1HG2      VAL 102  -2.077   4.750  -3.353
  680   3HG2  VAL 102          3HG2      VAL 102  -2.792   3.164  -3.038
  681    H    ARG 103           HN       ARG 103  -7.255   5.422  -3.673
  682    HA   ARG 103           HA       ARG 103  -7.249   6.783  -6.191
  683   1HB   ARG 103           HB2      ARG 103  -8.876   5.743  -7.312
  684   2HB   ARG 103           HB1      ARG 103  -8.635   4.419  -6.187
  685   1HG   ARG 103           HG2      ARG 103 -10.893   4.671  -6.043
  686   2HG   ARG 103           HG1      ARG 103 -10.389   5.755  -4.747
  687   1HD   ARG 103           HD2      ARG 103 -11.279   7.515  -5.783
  688   2HD   ARG 103           HD1      ARG 103 -10.427   7.135  -7.280
  689    HE   ARG 103           HE       ARG 103 -13.167   6.658  -6.717
  690   1HH1  ARG 103          1HH1      ARG 103 -10.423   5.305  -8.398
  691   2HH1  ARG 103          2HH1      ARG 103 -11.392   4.459  -9.556
  692   1HH2  ARG 103          1HH2      ARG 103 -14.442   5.546  -8.239
  693   2HH2  ARG 103          2HH2      ARG 103 -13.673   4.596  -9.466
  694    H    VAL 104           HN       VAL 104  -8.949   8.407  -6.393
  695    HA   VAL 104           HA       VAL 104 -10.132   9.237  -3.851
  696    HB   VAL 104           HB       VAL 104  -9.237  11.619  -5.156
  697   1HG1  VAL 104          1HG1      VAL 104  -8.704  10.252  -2.561
  698   2HG1  VAL 104          3HG1      VAL 104  -7.926  11.777  -2.986
  699   3HG1  VAL 104          2HG1      VAL 104  -9.685  11.677  -2.910
  700   1HG2  VAL 104          3HG2      VAL 104  -7.017   9.629  -4.647
  701   2HG2  VAL 104          2HG2      VAL 104  -7.488  10.273  -6.219
  702   3HG2  VAL 104          1HG2      VAL 104  -6.802  11.344  -4.997
  703    H    GLY 105           HN       GLY 105 -12.066  10.347  -4.048
  704   1HA   GLY 105           HA1      GLY 105 -13.821   9.855  -6.006
  705   2HA   GLY 105           HA2      GLY 105 -12.953  11.226  -6.676
  706    H    SER 106           HN       SER 106 -15.329  11.941  -6.560
  707    HA   SER 106           HA       SER 106 -15.573  14.021  -4.747
  708   1HB   SER 106           HB2      SER 106 -17.604  12.557  -6.420
  709   2HB   SER 106           HB1      SER 106 -18.073  13.898  -5.373
  710    HG   SER 106           HG       SER 106 -17.426  15.143  -6.922
  711    H    SER 107           HN       SER 107 -16.328  10.668  -4.358
  712    HA   SER 107           HA       SER 107 -18.007  11.075  -2.038
  713   1HB   SER 107           HB2      SER 107 -18.011   9.111  -3.823
  714   2HB   SER 107           HB1      SER 107 -16.849   8.405  -2.700
  715    HG   SER 107           HG       SER 107 -18.512   8.899  -1.047
  716    H    ASP 108           HN       ASP 108 -14.835  11.521  -2.413
  717    HA   ASP 108           HA       ASP 108 -14.294  11.005   0.361
  718   1HB   ASP 108           HB2      ASP 108 -11.970   9.985  -0.628
  719   2HB   ASP 108           HB1      ASP 108 -13.317   9.010  -0.055
  720    H    TRP 109           HN       TRP 109 -12.281  11.599  -2.516
  721    HA   TRP 109           HA       TRP 109 -11.100  13.431  -3.180
  722   1HB   TRP 109           HB2      TRP 109 -11.942  15.452  -2.679
  723   2HB   TRP 109           HB1      TRP 109 -13.159  14.567  -1.776
  724    HD1  TRP 109           HD1      TRP 109 -13.463  15.352   0.626
  725    HE1  TRP 109           HE1      TRP 109 -12.047  16.662   2.333
  726    HE3  TRP 109           HE3      TRP 109  -9.163  15.789  -2.090
  727    HZ2  TRP 109           HZ2      TRP 109  -9.443  17.747   2.500
  728    HZ3  TRP 109           HZ3      TRP 109  -7.256  16.988  -1.080
  729    HH2  TRP 109           HH2      TRP 109  -7.393  17.939   1.161
  730    H    GLY 110           HN       GLY 110  -8.968  13.822  -2.935
  731   1HA   GLY 110           HA1      GLY 110  -7.258  12.558  -1.389
  732   2HA   GLY 110           HA2      GLY 110  -7.824  13.756  -0.242
  733    H    TYR 111           HN       TYR 111  -5.230  13.632  -0.751
  734    HA   TYR 111           HA       TYR 111  -4.149  15.169  -2.824
  735   1HB   TYR 111           HB2      TYR 111  -5.486  16.720  -0.804
  736   2HB   TYR 111           HB1      TYR 111  -3.759  16.999  -0.661
  737    HD1  TYR 111           HD1      TYR 111  -6.730  17.552  -2.695
  738    HD2  TYR 111           HD2      TYR 111  -2.506  18.017  -2.519
  739    HE1  TYR 111           HE1      TYR 111  -6.846  19.163  -4.541
  740    HE2  TYR 111           HE2      TYR 111  -2.606  19.638  -4.367
  741    HH   TYR 111           HH       TYR 111  -5.440  20.115  -6.244
  742    H    MET 112           HN       MET 112  -2.854  13.190  -2.369
  743    HA   MET 112           HA       MET 112  -0.747  13.808  -0.449
  744   1HB   MET 112           HB2      MET 112  -1.179  12.158   1.025
  745   2HB   MET 112           HB1      MET 112  -2.799  12.212   0.361
  746   1HG   MET 112           HG2      MET 112  -0.610  10.303  -0.434
  747   2HG   MET 112           HG1      MET 112  -2.011   9.938   0.566
  748   1HE   MET 112           HE1      MET 112  -1.755   7.956  -1.105
  749   2HE   MET 112           HE3      MET 112  -3.510   8.037  -0.969
  750   3HE   MET 112           HE2      MET 112  -2.757   7.859  -2.554
  751    H    ASN 113           HN       ASN 113   0.947  11.960  -0.501
  752    HA   ASN 113           HA       ASN 113   1.449  11.352  -3.329
  753   1HB   ASN 113           HB2      ASN 113   3.458  11.546  -1.080
  754   2HB   ASN 113           HB1      ASN 113   3.815  11.353  -2.793
  755   1HD2  ASN 113          1HD2      ASN 113   3.758  13.513  -0.363
  756   2HD2  ASN 113          2HD2      ASN 113   3.543  14.975  -1.259
  757    H    VAL 114           HN       VAL 114   1.658   9.312  -3.979
  758    HA   VAL 114           HA       VAL 114   1.454   7.197  -1.959
  759    HB   VAL 114           HB       VAL 114   1.055   6.976  -4.949
  760   1HG1  VAL 114          3HG1      VAL 114   1.588   4.978  -3.201
  761   2HG1  VAL 114          2HG1      VAL 114  -0.175   5.024  -3.144
  762   3HG1  VAL 114          1HG1      VAL 114   0.653   4.793  -4.685
  763   1HG2  VAL 114          2HG2      VAL 114  -0.652   8.116  -2.976
  764   2HG2  VAL 114          1HG2      VAL 114  -0.968   7.863  -4.690
  765   3HG2  VAL 114          3HG2      VAL 114  -1.373   6.601  -3.525
  766    H    HIS 115           HN       HIS 115   3.647   7.220  -1.351
  767    HA   HIS 115           HA       HIS 115   5.848   7.103  -3.038
  768   1HB   HIS 115           HB2      HIS 115   5.355   6.842  -0.251
  769   2HB   HIS 115           HB1      HIS 115   6.372   5.490  -0.734
  770    HD1  HIS 115           HD1      HIS 115   6.336   9.267  -1.242
  771    HD2  HIS 115           HD2      HIS 115   8.996   6.121  -0.702
  772    HE1  HIS 115           HE1      HIS 115   8.616  10.324  -1.143
  773    HE2  HIS 115           HE2      HIS 115  10.200   8.410  -0.729
  774    H    SER 116           HN       SER 116   3.984   4.435  -1.617
  775    HA   SER 116           HA       SER 116   4.246   2.771  -3.852
  776   1HB   SER 116           HB2      SER 116   5.933   1.238  -3.291
  777   2HB   SER 116           HB1      SER 116   6.651   2.801  -2.903
  778    HG   SER 116           HG       SER 116   5.750   0.776  -1.201
  779    H    LEU 117           HN       LEU 117   3.601   0.498  -3.368
  780    HA   LEU 117           HA       LEU 117   1.694   0.432  -1.119
  781   1HB   LEU 117           HB2      LEU 117   1.085   0.246  -3.729
  782   2HB   LEU 117           HB1      LEU 117   1.446  -1.437  -3.422
  783    HG   LEU 117           HG       LEU 117  -0.523   0.011  -1.675
  784   1HD1  LEU 117          3HD1      LEU 117  -0.899  -0.872  -4.490
  785   2HD1  LEU 117          2HD1      LEU 117  -2.213  -1.094  -3.334
  786   3HD1  LEU 117          1HD1      LEU 117  -1.568   0.521  -3.638
  787   1HD2  LEU 117          1HD2      LEU 117   0.468  -2.676  -2.001
  788   2HD2  LEU 117          3HD2      LEU 117  -0.598  -2.029  -0.757
  789   3HD2  LEU 117          2HD2      LEU 117  -1.273  -2.632  -2.268
  790    H    LYS 118           HN       LYS 118   3.535  -0.286   0.204
  791    HA   LYS 118           HA       LYS 118   4.802  -2.761  -0.481
  792   1HB   LYS 118           HB2      LYS 118   6.153  -2.444   1.388
  793   2HB   LYS 118           HB1      LYS 118   5.787  -0.809   0.867
  794   1HG   LYS 118           HG2      LYS 118   4.029  -0.692   2.599
  795   2HG   LYS 118           HG1      LYS 118   4.516  -2.295   3.157
  796   1HD   LYS 118           HD2      LYS 118   6.227   0.191   3.102
  797   2HD   LYS 118           HD1      LYS 118   5.548  -0.586   4.533
  798   1HE   LYS 118           HE2      LYS 118   7.468  -1.720   4.666
  799   2HE   LYS 118           HE1      LYS 118   6.905  -2.633   3.267
  800   1HZ   LYS 118           HZ1      LYS 118   8.399  -0.094   2.984
  801   2HZ   LYS 118           HZ3      LYS 118   9.188  -1.586   3.115
  802   3HZ   LYS 118           HZ2      LYS 118   8.139  -1.293   1.820
  803    H    LEU 119           HN       LEU 119   3.989  -4.682  -0.230
  804    HA   LEU 119           HA       LEU 119   1.849  -5.101   1.728
  805   1HB   LEU 119           HB2      LEU 119   2.369  -6.095  -0.944
  806   2HB   LEU 119           HB1      LEU 119   2.121  -7.416   0.180
  807    HG   LEU 119           HG       LEU 119   0.122  -5.304   0.465
  808   1HD1  LEU 119          1HD1      LEU 119   0.566  -5.132  -1.962
  809   2HD1  LEU 119          3HD1      LEU 119   0.177  -6.845  -2.122
  810   3HD1  LEU 119          2HD1      LEU 119  -1.060  -5.707  -1.588
  811   1HD2  LEU 119          1HD2      LEU 119   0.144  -8.289   0.148
  812   2HD2  LEU 119          3HD2      LEU 119  -0.302  -7.329   1.557
  813   3HD2  LEU 119          2HD2      LEU 119  -1.363  -7.371   0.149
  814    H    GLU 120           HN       GLU 120   1.970  -6.699   3.254
  815    HA   GLU 120           HA       GLU 120   4.550  -8.085   3.543
  816   1HB   GLU 120           HB2      GLU 120   3.067  -7.226   5.984
  817   2HB   GLU 120           HB1      GLU 120   4.790  -7.456   5.746
  818   1HG   GLU 120           HG2      GLU 120   4.517  -5.172   6.054
  819   2HG   GLU 120           HG1      GLU 120   4.725  -5.364   4.316
  820    H    LEU 121           HN       LEU 121   4.382  -9.947   5.124
  821    HA   LEU 121           HA       LEU 121   1.885 -11.392   4.603
  822   1HB   LEU 121           HB2      LEU 121   4.539 -12.149   4.410
  823   2HB   LEU 121           HB1      LEU 121   4.023 -12.890   5.910
  824    HG   LEU 121           HG       LEU 121   3.599 -14.568   4.391
  825   1HD1  LEU 121          1HD1      LEU 121   1.527 -13.819   5.667
  826   2HD1  LEU 121          3HD1      LEU 121   0.983 -13.120   4.142
  827   3HD1  LEU 121          2HD1      LEU 121   1.279 -14.855   4.262
  828   1HD2  LEU 121          2HD2      LEU 121   2.772 -12.416   2.459
  829   2HD2  LEU 121          1HD2      LEU 121   4.176 -13.478   2.364
  830   3HD2  LEU 121          3HD2      LEU 121   2.555 -14.141   2.149
  831    H    LEU 122           HN       LEU 122   2.224  -9.319   6.716
  832    HA   LEU 122           HA       LEU 122   1.581  -8.957   8.866
  833   1HB   LEU 122           HB2      LEU 122   0.057 -11.193   7.936
  834   2HB   LEU 122           HB1      LEU 122   0.444 -11.443   9.627
  835    HG   LEU 122           HG       LEU 122  -1.037  -9.099   8.437
  836   1HD1  LEU 122          2HD1      LEU 122  -2.147 -11.393   8.850
  837   2HD1  LEU 122          1HD1      LEU 122  -2.029 -10.960  10.557
  838   3HD1  LEU 122          3HD1      LEU 122  -2.942  -9.936   9.448
  839   1HD2  LEU 122          2HD2      LEU 122   0.637  -8.902  10.569
  840   2HD2  LEU 122          1HD2      LEU 122  -0.804  -7.916  10.332
  841   3HD2  LEU 122          3HD2      LEU 122  -0.874  -9.349  11.356
  842    H    GLY 123           HN       GLY 123   1.442 -10.594  11.106
  843   1HA   GLY 123           HA1      GLY 123   3.657 -10.599  12.425
  844   2HA   GLY 123           HA2      GLY 123   4.101 -11.843  11.266

  No H/Q in entry =         844
  Start of MODEL    5
    1    H    SER   8           HN       SER   8   8.474  -9.992   1.978
    2    HA   SER   8           HA       SER   8   6.466  -7.889   2.402
    3   1HB   SER   8           HB2      SER   8   8.997  -7.802   3.992
    4   2HB   SER   8           HB1      SER   8   7.415  -7.117   4.364
    5    HG   SER   8           HG       SER   8   7.920  -8.951   5.658
    6    H    TRP   9           HN       TRP   9   6.736  -6.654   0.625
    7    HA   TRP   9           HA       TRP   9   9.255  -5.308   0.271
    8   1HB   TRP   9           HB2      TRP   9   9.603  -5.895  -2.066
    9   2HB   TRP   9           HB1      TRP   9   9.666  -7.326  -1.051
   10    HD1  TRP   9           HD1      TRP   9   8.338  -6.264  -4.249
   11    HE1  TRP   9           HE1      TRP   9   6.470  -7.838  -5.067
   12    HE3  TRP   9           HE3      TRP   9   7.344  -8.691   0.119
   13    HZ2  TRP   9           HZ2      TRP   9   4.792  -9.857  -3.978
   14    HZ3  TRP   9           HZ3      TRP   9   5.611 -10.394   0.147
   15    HH2  TRP   9           HH2      TRP   9   4.373 -10.996  -1.816
   16    H    THR  10           HN       THR  10   9.156  -3.464  -1.031
   17    HA   THR  10           HA       THR  10   6.532  -2.262  -1.090
   18    HB   THR  10           HB       THR  10   8.959  -0.895  -2.166
   19    HG1  THR  10           HG1      THR  10   9.623  -0.448  -0.046
   20   1HG2  THR  10          1HG2      THR  10   6.395  -0.087  -1.285
   21   2HG2  THR  10          3HG2      THR  10   7.601   0.595  -0.191
   22   3HG2  THR  10          2HG2      THR  10   7.712   0.897  -1.927
   23    H    TYR  11           HN       TYR  11   5.379  -1.625  -2.836
   24    HA   TYR  11           HA       TYR  11   6.327  -2.572  -5.456
   25   1HB   TYR  11           HB2      TYR  11   3.480  -1.824  -4.802
   26   2HB   TYR  11           HB1      TYR  11   4.069  -2.830  -6.120
   27    HD1  TYR  11           HD1      TYR  11   1.833  -3.557  -4.223
   28    HD2  TYR  11           HD2      TYR  11   6.013  -4.340  -4.080
   29    HE1  TYR  11           HE1      TYR  11   1.407  -5.571  -2.877
   30    HE2  TYR  11           HE2      TYR  11   5.597  -6.346  -2.727
   31    HH   TYR  11           HH       TYR  11   3.685  -7.123  -1.118
   32    H    THR  12           HN       THR  12   7.377  -0.883  -6.389
   33    HA   THR  12           HA       THR  12   6.972   1.807  -5.931
   34    HB   THR  12           HB       THR  12   7.981   2.120  -8.256
   35    HG1  THR  12           HG1      THR  12   7.501   0.339  -9.367
   36   1HG2  THR  12          1HG2      THR  12   9.160   1.102  -5.884
   37   2HG2  THR  12          3HG2      THR  12   9.935   0.340  -7.274
   38   3HG2  THR  12          2HG2      THR  12   9.885   2.098  -7.147
   39    H    ALA  13           HN       ALA  13   5.581   3.338  -6.627
   40    HA   ALA  13           HA       ALA  13   3.100   2.542  -7.729
   41   1HB   ALA  13           HB3      ALA  13   4.221   5.297  -7.268
   42   2HB   ALA  13           HB2      ALA  13   2.543   4.937  -7.673
   43   3HB   ALA  13           HB1      ALA  13   3.225   4.360  -6.153
   44    H    ALA  14           HN       ALA  14   6.033   3.485  -9.243
   45    HA   ALA  14           HA       ALA  14   4.893   4.597 -11.602
   46   1HB   ALA  14           HB2      ALA  14   7.015   5.228 -11.705
   47   2HB   ALA  14           HB1      ALA  14   7.556   3.910 -10.664
   48   3HB   ALA  14           HB3      ALA  14   7.333   3.634 -12.393
   49    H    SER  15           HN       SER  15   5.364   1.385 -10.463
   50    HA   SER  15           HA       SER  15   5.023   0.199 -13.095
   51   1HB   SER  15           HB2      SER  15   4.768  -1.882 -11.349
   52   2HB   SER  15           HB1      SER  15   6.311  -1.308 -11.982
   53    HG   SER  15           HG       SER  15   5.113  -0.771  -9.484
   54    H    ALA  16           HN       ALA  16   3.044   1.711 -11.006
   55    HA   ALA  16           HA       ALA  16   0.766  -0.102 -11.325
   56   1HB   ALA  16           HB2      ALA  16   1.311   0.823  -9.074
   57   2HB   ALA  16           HB3      ALA  16  -0.320   1.200  -9.625
   58   3HB   ALA  16           HB1      ALA  16   0.941   2.432  -9.696
   59    H    SER  17           HN       SER  17  -1.283   1.804 -11.200
   60    HA   SER  17           HA       SER  17  -1.002   3.096 -13.830
   61   1HB   SER  17           HB2      SER  17  -2.719   1.470 -13.982
   62   2HB   SER  17           HB1      SER  17  -3.394   1.922 -12.417
   63    HG   SER  17           HG       SER  17  -4.397   3.576 -13.307
   64    H    ILE  18           HN       ILE  18  -0.444   5.159 -13.468
   65    HA   ILE  18           HA       ILE  18  -1.603   6.654 -11.263
   66    HB   ILE  18           HB       ILE  18   0.625   7.124 -13.200
   67   1HG1  ILE  18          2HG1      ILE  18   1.691   7.895 -10.998
   68   2HG1  ILE  18          1HG1      ILE  18   0.258   7.214 -10.214
   69   1HG2  ILE  18          2HG2      ILE  18  -1.028   9.247 -11.986
   70   2HG2  ILE  18          1HG2      ILE  18   0.721   9.451 -11.981
   71   3HG2  ILE  18          3HG2      ILE  18  -0.134   9.229 -13.504
   72   1HD1  ILE  18          3HD1      ILE  18   0.839   5.117 -11.554
   73   2HD1  ILE  18          2HD1      ILE  18   2.413   5.884 -11.751
   74   3HD1  ILE  18          1HD1      ILE  18   1.803   5.522 -10.137
   75    H    THR  19           HN       THR  19  -3.764   6.897 -11.819
   76    HA   THR  19           HA       THR  19  -4.445   8.106 -14.377
   77    HB   THR  19           HB       THR  19  -6.333   7.440 -12.121
   78    HG1  THR  19           HG1      THR  19  -5.230   5.764 -14.107
   79   1HG2  THR  19          3HG2      THR  19  -6.661   7.925 -15.047
   80   2HG2  THR  19          2HG2      THR  19  -7.806   6.915 -14.164
   81   3HG2  THR  19          1HG2      THR  19  -7.566   8.596 -13.690
   82    H    ALA  20           HN       ALA  20  -4.943  10.199 -14.680
   83    HA   ALA  20           HA       ALA  20  -4.188  12.207 -12.984
   84   1HB   ALA  20           HB1      ALA  20  -4.745  12.500 -15.371
   85   2HB   ALA  20           HB3      ALA  20  -6.457  12.390 -14.961
   86   3HB   ALA  20           HB2      ALA  20  -5.485  13.726 -14.340
   87    HA   PRO  21           HA       PRO  21  -4.723  14.353 -12.394
   88   1HB   PRO  21           HB2      PRO  21  -4.503  15.515 -10.004
   89   2HB   PRO  21           HB1      PRO  21  -5.921  15.792 -11.023
   90   1HG   PRO  21           HG2      PRO  21  -5.599  13.844  -8.741
   91   2HG   PRO  21           HG1      PRO  21  -6.898  15.032  -9.015
   92   1HD   PRO  21           HD2      PRO  21  -7.181  12.453  -9.712
   93   2HD   PRO  21           HD1      PRO  21  -7.889  13.757 -10.679
   94    H    ALA  22           HN       ALA  22  -4.412  11.489 -10.858
   95    HA   ALA  22           HA       ALA  22  -2.188  11.762  -9.190
   96   1HB   ALA  22           HB2      ALA  22  -3.697   9.716  -9.569
   97   2HB   ALA  22           HB3      ALA  22  -1.979   9.448  -9.257
   98   3HB   ALA  22           HB1      ALA  22  -2.607   9.339 -10.901
   99    H    GLN  23           HN       GLN  23  -0.016  11.742  -9.518
  100    HA   GLN  23           HA       GLN  23   1.006  11.502 -12.247
  101   1HB   GLN  23           HB2      GLN  23   1.947  13.799 -10.562
  102   2HB   GLN  23           HB1      GLN  23   2.094  13.570 -12.296
  103   1HG   GLN  23           HG2      GLN  23   0.353  14.901 -12.548
  104   2HG   GLN  23           HG1      GLN  23  -0.649  13.658 -11.807
  105   1HE2  GLN  23          1HE2      GLN  23  -0.656  13.687  -9.381
  106   2HE2  GLN  23          2HE2      GLN  23  -0.715  15.233  -8.614
  107    H    LEU  24           HN       LEU  24   2.582  10.057 -12.178
  108    HA   LEU  24           HA       LEU  24   3.979   9.451  -9.733
  109   1HB   LEU  24           HB2      LEU  24   3.335   8.077 -12.056
  110   2HB   LEU  24           HB1      LEU  24   5.064   8.309 -12.187
  111    HG   LEU  24           HG       LEU  24   4.181   6.156 -11.119
  112   1HD1  LEU  24          3HD1      LEU  24   6.544   7.093 -11.114
  113   2HD1  LEU  24          2HD1      LEU  24   6.198   7.647  -9.476
  114   3HD1  LEU  24          1HD1      LEU  24   6.143   5.925  -9.854
  115   1HD2  LEU  24          3HD2      LEU  24   2.853   7.857  -9.449
  116   2HD2  LEU  24          2HD2      LEU  24   3.182   6.155  -9.130
  117   3HD2  LEU  24          1HD2      LEU  24   4.257   7.393  -8.488
  118    H    VAL  25           HN       VAL  25   5.579  10.752  -9.061
  119    HA   VAL  25           HA       VAL  25   7.148  12.260 -10.992
  120    HB   VAL  25           HB       VAL  25   7.416  12.273  -7.985
  121   1HG1  VAL  25          1HG1      VAL  25   8.625  13.790 -10.209
  122   2HG1  VAL  25          3HG1      VAL  25   8.126  14.733  -8.805
  123   3HG1  VAL  25          2HG1      VAL  25   9.269  13.403  -8.612
  124   1HG2  VAL  25          1HG2      VAL  25   5.105  12.848  -8.892
  125   2HG2  VAL  25          3HG2      VAL  25   5.879  14.048  -7.856
  126   3HG2  VAL  25          2HG2      VAL  25   5.863  14.271  -9.606
  127    H    GLY  26           HN       GLY  26   8.370  10.604 -11.975
  128   1HA   GLY  26           HA1      GLY  26  10.821   9.993 -10.625
  129   2HA   GLY  26           HA2      GLY  26  10.365   9.474 -12.242
  130    H    ASN  27           HN       ASN  27   9.100   8.904  -8.971
  131    HA   ASN  27           HA       ASN  27   8.557   6.165  -9.599
  132   1HB   ASN  27           HB2      ASN  27  10.875   6.966  -7.922
  133   2HB   ASN  27           HB1      ASN  27   9.918   5.597  -7.364
  134   1HD2  ASN  27          1HD2      ASN  27   9.653   3.799  -8.815
  135   2HD2  ASN  27          2HD2      ASN  27  10.884   3.445  -9.973
  136    H    VAL  28           HN       VAL  28   8.639   8.774  -7.246
  137    HA   VAL  28           HA       VAL  28   6.745   7.497  -5.484
  138    HB   VAL  28           HB       VAL  28   7.474  10.416  -5.424
  139   1HG1  VAL  28          3HG1      VAL  28   5.667   9.158  -3.958
  140   2HG1  VAL  28          2HG1      VAL  28   7.091   8.721  -3.013
  141   3HG1  VAL  28          1HG1      VAL  28   6.695  10.420  -3.279
  142   1HG2  VAL  28          2HG2      VAL  28   9.090   8.068  -4.463
  143   2HG2  VAL  28          1HG2      VAL  28   9.596   9.394  -5.512
  144   3HG2  VAL  28          3HG2      VAL  28   9.288   9.692  -3.801
  145    H    GLY  29           HN       GLY  29   4.596   7.582  -5.643
  146   1HA   GLY  29           HA1      GLY  29   2.557   7.994  -6.668
  147   2HA   GLY  29           HA2      GLY  29   3.380   9.058  -7.799
  148    H    GLU  30           HN       GLU  30   1.600  10.501  -7.586
  149    HA   GLU  30           HA       GLU  30   1.225  11.783  -5.000
  150   1HB   GLU  30           HB2      GLU  30   2.096  13.408  -7.392
  151   2HB   GLU  30           HB1      GLU  30   1.775  14.003  -5.768
  152   1HG   GLU  30           HG2      GLU  30   3.668  12.417  -5.045
  153   2HG   GLU  30           HG1      GLU  30   4.089  12.387  -6.757
  154    H    LEU  31           HN       LEU  31  -0.922  11.410  -4.919
  155    HA   LEU  31           HA       LEU  31  -2.603  11.797  -7.229
  156   1HB   LEU  31           HB2      LEU  31  -3.318  11.259  -4.343
  157   2HB   LEU  31           HB1      LEU  31  -4.461  11.303  -5.678
  158    HG   LEU  31           HG       LEU  31  -2.171   9.348  -5.459
  159   1HD1  LEU  31          3HD1      LEU  31  -4.436   9.334  -3.919
  160   2HD1  LEU  31          2HD1      LEU  31  -4.904   8.328  -5.289
  161   3HD1  LEU  31          1HD1      LEU  31  -3.478   7.912  -4.337
  162   1HD2  LEU  31          3HD2      LEU  31  -3.655  10.182  -7.651
  163   2HD2  LEU  31          2HD2      LEU  31  -2.647   8.738  -7.538
  164   3HD2  LEU  31          1HD2      LEU  31  -4.376   8.644  -7.178
  165    H    GLN  32           HN       GLN  32  -4.443  13.269  -7.220
  166    HA   GLN  32           HA       GLN  32  -4.043  15.663  -5.555
  167   1HB   GLN  32           HB2      GLN  32  -3.549  15.550  -8.275
  168   2HB   GLN  32           HB1      GLN  32  -5.178  16.209  -8.194
  169   1HG   GLN  32           HG2      GLN  32  -4.488  18.165  -7.328
  170   2HG   GLN  32           HG1      GLN  32  -3.232  17.411  -6.348
  171   1HE2  GLN  32          1HE2      GLN  32  -1.206  17.673  -6.968
  172   2HE2  GLN  32          2HE2      GLN  32  -0.685  18.211  -8.525
  173    H    GLY  33           HN       GLY  33  -6.333  17.010  -6.797
  174   1HA   GLY  33           HA1      GLY  33  -8.650  17.018  -6.761
  175   2HA   GLY  33           HA2      GLY  33  -8.392  16.387  -5.141
  176    H    ALA  34           HN       ALA  34 -10.512  15.339  -5.566
  177    HA   ALA  34           HA       ALA  34 -10.425  12.648  -5.802
  178   1HB   ALA  34           HB3      ALA  34 -12.609  14.576  -6.538
  179   2HB   ALA  34           HB1      ALA  34 -12.488  13.506  -5.144
  180   3HB   ALA  34           HB2      ALA  34 -12.835  12.839  -6.735
  181    H    GLY  35           HN       GLY  35 -11.226  11.179  -7.553
  182   1HA   GLY  35           HA1      GLY  35 -10.710  12.152 -10.271
  183   2HA   GLY  35           HA2      GLY  35 -11.563  10.674  -9.854
  184    H    SER  36           HN       SER  36  -8.557  11.503  -8.301
  185    HA   SER  36           HA       SER  36  -6.828  10.154 -10.095
  186   1HB   SER  36           HB2      SER  36  -5.859  10.168  -7.354
  187   2HB   SER  36           HB1      SER  36  -5.223  11.003  -8.770
  188    HG   SER  36           HG       SER  36  -7.161  11.871  -6.916
  189    H    ALA  37           HN       ALA  37  -5.799   8.123  -9.867
  190    HA   ALA  37           HA       ALA  37  -6.693   6.292  -7.840
  191   1HB   ALA  37           HB2      ALA  37  -7.355   5.500 -10.653
  192   2HB   ALA  37           HB3      ALA  37  -8.516   6.342  -9.625
  193   3HB   ALA  37           HB1      ALA  37  -7.889   4.766  -9.138
  194    H    VAL  38           HN       VAL  38  -4.609   5.871  -7.317
  195    HA   VAL  38           HA       VAL  38  -2.710   5.024  -9.358
  196    HB   VAL  38           HB       VAL  38  -1.768   4.505  -6.678
  197   1HG1  VAL  38          1HG1      VAL  38  -0.738   5.356  -9.059
  198   2HG1  VAL  38          3HG1      VAL  38  -0.654   6.817  -8.069
  199   3HG1  VAL  38          2HG1      VAL  38   0.123   5.327  -7.520
  200   1HG2  VAL  38          3HG2      VAL  38  -3.195   7.076  -7.075
  201   2HG2  VAL  38          2HG2      VAL  38  -3.033   6.089  -5.625
  202   3HG2  VAL  38          1HG2      VAL  38  -1.686   7.090  -6.169
  203    H    ILE  39           HN       ILE  39  -3.713   3.130 -10.102
  204    HA   ILE  39           HA       ILE  39  -4.276   1.055  -8.152
  205    HB   ILE  39           HB       ILE  39  -4.671   0.924 -11.140
  206   1HG1  ILE  39          2HG1      ILE  39  -5.944   2.797 -10.256
  207   2HG1  ILE  39          1HG1      ILE  39  -7.039   1.474 -10.646
  208   1HG2  ILE  39          1HG2      ILE  39  -5.391  -0.820  -8.842
  209   2HG2  ILE  39          3HG2      ILE  39  -6.508  -0.716 -10.203
  210   3HG2  ILE  39          2HG2      ILE  39  -4.848  -1.252 -10.463
  211   1HD1  ILE  39          1HD1      ILE  39  -6.007   2.025  -7.878
  212   2HD1  ILE  39          3HD1      ILE  39  -7.530   2.648  -8.508
  213   3HD1  ILE  39          2HD1      ILE  39  -7.288   0.909  -8.349
  214    H    TRP  40           HN       TRP  40  -2.752  -0.269  -7.554
  215    HA   TRP  40           HA       TRP  40  -0.387  -0.753  -9.143
  216   1HB   TRP  40           HB2      TRP  40  -1.251  -1.138  -6.373
  217   2HB   TRP  40           HB1      TRP  40  -0.312  -2.490  -6.989
  218    HD1  TRP  40           HD1      TRP  40   2.218  -1.879  -7.875
  219    HE1  TRP  40           HE1      TRP  40   3.858  -0.105  -7.001
  220    HE3  TRP  40           HE3      TRP  40  -1.076   1.149  -5.413
  221    HZ2  TRP  40           HZ2      TRP  40   3.771   2.261  -5.456
  222    HZ3  TRP  40           HZ3      TRP  40  -0.223   3.144  -4.257
  223    HH2  TRP  40           HH2      TRP  40   2.153   3.686  -4.278
  224    H    ASN  41           HN       ASN  41   0.230  -2.765 -10.007
  225    HA   ASN  41           HA       ASN  41  -1.987  -4.677 -10.324
  226   1HB   ASN  41           HB2      ASN  41   0.399  -4.402 -12.152
  227   2HB   ASN  41           HB1      ASN  41  -1.094  -5.288 -12.454
  228   1HD2  ASN  41          1HD2      ASN  41  -3.014  -4.106 -12.836
  229   2HD2  ASN  41          2HD2      ASN  41  -2.952  -2.484 -13.428
  230    H    VAL  42           HN       VAL  42  -1.773  -6.425  -9.110
  231    HA   VAL  42           HA       VAL  42   0.752  -7.866  -9.095
  232    HB   VAL  42           HB       VAL  42   0.866  -8.111  -6.692
  233   1HG1  VAL  42          2HG1      VAL  42   1.861  -6.090  -7.925
  234   2HG1  VAL  42          1HG1      VAL  42   0.582  -5.164  -7.140
  235   3HG1  VAL  42          3HG1      VAL  42   1.768  -6.031  -6.165
  236   1HG2  VAL  42          3HG2      VAL  42  -1.819  -7.212  -6.767
  237   2HG2  VAL  42          2HG2      VAL  42  -0.894  -7.779  -5.378
  238   3HG2  VAL  42          1HG2      VAL  42  -0.901  -6.065  -5.791
  239    H    ASP  43           HN       ASP  43   0.541 -10.064  -8.377
  240    HA   ASP  43           HA       ASP  43  -2.238 -11.033  -8.413
  241   1HB   ASP  43           HB2      ASP  43  -1.506 -12.975  -9.633
  242   2HB   ASP  43           HB1      ASP  43  -0.914 -11.543 -10.471
  243    H    VAL  44           HN       VAL  44  -2.834 -11.870  -6.534
  244    HA   VAL  44           HA       VAL  44  -1.510 -12.221  -4.247
  245    HB   VAL  44           HB       VAL  44  -3.034 -14.601  -4.368
  246   1HG1  VAL  44          1HG1      VAL  44  -2.993 -12.082  -2.937
  247   2HG1  VAL  44          3HG1      VAL  44  -4.613 -12.758  -3.101
  248   3HG1  VAL  44          2HG1      VAL  44  -3.329 -13.713  -2.360
  249   1HG2  VAL  44          2HG2      VAL  44  -3.927 -13.358  -6.488
  250   2HG2  VAL  44          1HG2      VAL  44  -5.025 -14.164  -5.374
  251   3HG2  VAL  44          3HG2      VAL  44  -4.817 -12.421  -5.292
  252    HA   PRO  45           HA       PRO  45   1.798 -15.091  -5.373
  253   1HB   PRO  45           HB2      PRO  45   2.804 -15.198  -2.797
  254   2HB   PRO  45           HB1      PRO  45   3.272 -14.012  -4.019
  255   1HG   PRO  45           HG2      PRO  45   1.313 -13.755  -1.777
  256   2HG   PRO  45           HG1      PRO  45   2.481 -12.569  -2.389
  257   1HD   PRO  45           HD2      PRO  45  -0.117 -12.396  -3.001
  258   2HD   PRO  45           HD1      PRO  45   1.135 -11.986  -4.189
  259    H    VAL  46           HN       VAL  46  -0.105 -15.429  -2.360
  260    HA   VAL  46           HA       VAL  46  -0.684 -18.174  -3.029
  261    HB   VAL  46           HB       VAL  46   0.161 -18.544  -0.412
  262   1HG1  VAL  46          1HG1      VAL  46   0.274 -20.150  -2.236
  263   2HG1  VAL  46          3HG1      VAL  46   1.592 -19.236  -2.968
  264   3HG1  VAL  46          2HG1      VAL  46   1.824 -20.019  -1.405
  265   1HG2  VAL  46          2HG2      VAL  46   2.193 -16.890  -1.903
  266   2HG2  VAL  46          1HG2      VAL  46   1.478 -16.557  -0.327
  267   3HG2  VAL  46          3HG2      VAL  46   2.586 -17.914  -0.524
  268    H    THR  47           HN       THR  47  -1.649 -19.164  -0.750
  269    HA   THR  47           HA       THR  47  -3.885 -17.367  -0.166
  270    HB   THR  47           HB       THR  47  -4.135 -20.051   0.910
  271    HG1  THR  47           HG1      THR  47  -2.910 -20.815  -0.719
  272   1HG2  THR  47          3HG2      THR  47  -5.857 -18.195   0.000
  273   2HG2  THR  47          2HG2      THR  47  -5.761 -19.264  -1.399
  274   3HG2  THR  47          1HG2      THR  47  -6.242 -19.907   0.172
  275    H    GLY  48           HN       GLY  48  -3.238 -16.068   1.497
  276   1HA   GLY  48           HA1      GLY  48  -1.562 -16.538   3.588
  277   2HA   GLY  48           HA2      GLY  48  -3.066 -17.285   4.106
  278    H    GLU  49           HN       GLU  49  -1.544 -14.900   5.101
  279    HA   GLU  49           HA       GLU  49  -3.647 -12.873   4.748
  280   1HB   GLU  49           HB2      GLU  49  -3.944 -13.964   6.922
  281   2HB   GLU  49           HB1      GLU  49  -2.276 -13.603   7.340
  282   1HG   GLU  49           HG2      GLU  49  -2.748 -11.218   7.299
  283   2HG   GLU  49           HG1      GLU  49  -4.407 -11.549   6.793
  284    H    TYR  50           HN       TYR  50  -2.719 -11.262   3.651
  285    HA   TYR  50           HA       TYR  50   0.011 -10.478   4.412
  286   1HB   TYR  50           HB2      TYR  50  -1.378  -9.617   1.885
  287   2HB   TYR  50           HB1      TYR  50   0.346  -9.653   2.230
  288    HD1  TYR  50           HD1      TYR  50  -0.016 -12.602   3.480
  289    HD2  TYR  50           HD2      TYR  50  -0.931 -10.761  -0.238
  290    HE1  TYR  50           HE1      TYR  50   0.131 -14.789   2.369
  291    HE2  TYR  50           HE2      TYR  50  -0.791 -12.940  -1.359
  292    HH   TYR  50           HH       TYR  50  -0.590 -15.897   0.380
  293    H    ARG  51           HN       ARG  51   0.202  -8.661   5.532
  294    HA   ARG  51           HA       ARG  51  -2.121  -6.994   5.899
  295   1HB   ARG  51           HB2      ARG  51  -0.843  -5.902   7.643
  296   2HB   ARG  51           HB1      ARG  51  -0.732  -7.653   7.805
  297   1HG   ARG  51           HG2      ARG  51   1.489  -7.689   7.367
  298   2HG   ARG  51           HG1      ARG  51   1.410  -6.317   6.262
  299   1HD   ARG  51           HD2      ARG  51   1.569  -4.770   7.951
  300   2HD   ARG  51           HD1      ARG  51   0.883  -5.859   9.156
  301    HE   ARG  51           HE       ARG  51   3.466  -6.662   8.164
  302   1HH1  ARG  51          1HH1      ARG  51   1.759  -4.776  10.554
  303   2HH1  ARG  51          2HH1      ARG  51   3.073  -4.785  11.682
  304   1HH2  ARG  51          1HH2      ARG  51   5.196  -6.674   9.648
  305   2HH2  ARG  51          2HH2      ARG  51   5.024  -5.860  11.167
  306    H    ILE  52           HN       ILE  52  -2.512  -5.085   5.057
  307    HA   ILE  52           HA       ILE  52  -0.878  -4.114   2.913
  308    HB   ILE  52           HB       ILE  52  -3.399  -2.960   4.115
  309   1HG1  ILE  52          2HG1      ILE  52  -4.014  -5.051   3.257
  310   2HG1  ILE  52          1HG1      ILE  52  -4.347  -3.953   1.921
  311   1HG2  ILE  52          1HG2      ILE  52  -1.619  -1.729   2.380
  312   2HG2  ILE  52          3HG2      ILE  52  -2.895  -2.349   1.334
  313   3HG2  ILE  52          2HG2      ILE  52  -3.299  -1.265   2.663
  314   1HD1  ILE  52          3HD1      ILE  52  -2.229  -4.579   0.874
  315   2HD1  ILE  52          2HD1      ILE  52  -1.903  -5.681   2.224
  316   3HD1  ILE  52          1HD1      ILE  52  -3.268  -5.988   1.149
  317    H    ASN  53           HN       ASN  53   0.472  -2.457   2.869
  318    HA   ASN  53           HA       ASN  53   0.559  -0.604   5.141
  319   1HB   ASN  53           HB2      ASN  53   3.037  -1.780   3.873
  320   2HB   ASN  53           HB1      ASN  53   2.951  -0.750   5.299
  321   1HD2  ASN  53          1HD2      ASN  53   3.525  -1.912   6.985
  322   2HD2  ASN  53          2HD2      ASN  53   2.967  -3.503   7.362
  323    H    LEU  54           HN       LEU  54  -0.074   1.253   4.152
  324    HA   LEU  54           HA       LEU  54   1.033   1.828   1.511
  325   1HB   LEU  54           HB2      LEU  54  -1.457   2.531   2.876
  326   2HB   LEU  54           HB1      LEU  54  -0.708   3.899   2.081
  327    HG   LEU  54           HG       LEU  54  -2.060   1.545   0.924
  328   1HD1  LEU  54          1HD1      LEU  54  -2.932   3.869   0.844
  329   2HD1  LEU  54          3HD1      LEU  54  -1.571   4.291  -0.199
  330   3HD1  LEU  54          2HD1      LEU  54  -2.757   3.100  -0.738
  331   1HD2  LEU  54          3HD2      LEU  54   0.511   2.627  -0.189
  332   2HD2  LEU  54          2HD2      LEU  54   0.007   0.947   0.006
  333   3HD2  LEU  54          1HD2      LEU  54  -0.732   1.952  -1.241
  334    H    THR  55           HN       THR  55   2.711   3.036   1.313
  335    HA   THR  55           HA       THR  55   3.540   4.777   3.505
  336    HB   THR  55           HB       THR  55   5.153   4.544   1.015
  337    HG1  THR  55           HG1      THR  55   4.766   2.434   1.159
  338   1HG2  THR  55          1HG2      THR  55   5.605   5.194   3.779
  339   2HG2  THR  55          3HG2      THR  55   6.682   3.904   3.244
  340   3HG2  THR  55          2HG2      THR  55   6.647   5.440   2.377
  341    H    TRP  56           HN       TRP  56   3.137   6.895   3.479
  342    HA   TRP  56           HA       TRP  56   2.921   8.293   0.924
  343   1HB   TRP  56           HB2      TRP  56   0.790   9.385   1.697
  344   2HB   TRP  56           HB1      TRP  56   0.639   7.673   1.307
  345    HD1  TRP  56           HD1      TRP  56   1.260   6.155   3.829
  346    HE1  TRP  56           HE1      TRP  56  -0.038   6.487   6.036
  347    HE3  TRP  56           HE3      TRP  56  -0.680  10.805   2.957
  348    HZ2  TRP  56           HZ2      TRP  56  -1.649   8.431   7.233
  349    HZ3  TRP  56           HZ3      TRP  56  -2.093  11.827   4.697
  350    HH2  TRP  56           HH2      TRP  56  -2.561  10.653   6.786
  351    H    SER  57           HN       SER  57   2.682  10.682   1.256
  352    HA   SER  57           HA       SER  57   3.566  11.747   3.792
  353   1HB   SER  57           HB2      SER  57   5.505  12.951   2.498
  354   2HB   SER  57           HB1      SER  57   5.746  11.315   3.107
  355    HG   SER  57           HG       SER  57   6.081  12.080   0.670
  356    H    SER  58           HN       SER  58   1.526  12.805   3.577
  357    HA   SER  58           HA       SER  58   1.535  15.010   1.619
  358   1HB   SER  58           HB2      SER  58  -0.297  13.547   1.107
  359   2HB   SER  58           HB1      SER  58  -0.792  13.479   2.799
  360    HG   SER  58           HG       SER  58  -1.695  15.405   2.631
  361    HA   PRO  59           HA       PRO  59   2.021  16.929   5.803
  362   1HB   PRO  59           HB2      PRO  59   3.224  19.039   4.115
  363   2HB   PRO  59           HB1      PRO  59   3.865  18.254   5.561
  364   1HG   PRO  59           HG2      PRO  59   4.859  17.724   3.134
  365   2HG   PRO  59           HG1      PRO  59   4.721  16.465   4.375
  366   1HD   PRO  59           HD2      PRO  59   2.983  16.978   1.992
  367   2HD   PRO  59           HD1      PRO  59   3.530  15.435   2.678
  368    H    TYR  60           HN       TYR  60  -0.134  17.445   6.150
  369    HA   TYR  60           HA       TYR  60  -0.911  20.112   5.377
  370   1HB   TYR  60           HB2      TYR  60  -2.449  17.705   4.412
  371   2HB   TYR  60           HB1      TYR  60  -3.143  19.321   4.488
  372    HD1  TYR  60           HD1      TYR  60  -0.722  17.165   2.782
  373    HD2  TYR  60           HD2      TYR  60  -2.459  21.044   2.926
  374    HE1  TYR  60           HE1      TYR  60   0.207  17.655   0.558
  375    HE2  TYR  60           HE2      TYR  60  -1.536  21.547   0.703
  376    HH   TYR  60           HH       TYR  60  -0.807  19.995  -1.382
  377    H    SER  61           HN       SER  61  -3.076  17.449   6.307
  378    HA   SER  61           HA       SER  61  -3.030  17.956   9.088
  379   1HB   SER  61           HB2      SER  61  -4.923  19.560   7.443
  380   2HB   SER  61           HB1      SER  61  -5.509  18.922   8.979
  381    HG   SER  61           HG       SER  61  -3.120  20.423   8.687
  382    H    SER  62           HN       SER  62  -5.138  17.028   6.401
  383    HA   SER  62           HA       SER  62  -5.429  14.376   6.987
  384   1HB   SER  62           HB2      SER  62  -6.795  15.910   8.942
  385   2HB   SER  62           HB1      SER  62  -8.027  15.169   7.922
  386    HG   SER  62           HG       SER  62  -6.089  13.960   9.547
  387    H    LYS  63           HN       LYS  63  -5.811  13.845   4.936
  388    HA   LYS  63           HA       LYS  63  -7.696  15.387   3.327
  389   1HB   LYS  63           HB2      LYS  63  -5.682  13.235   2.682
  390   2HB   LYS  63           HB1      LYS  63  -6.842  13.809   1.497
  391   1HG   LYS  63           HG2      LYS  63  -4.444  14.776   1.523
  392   2HG   LYS  63           HG1      LYS  63  -5.805  15.859   1.277
  393   1HD   LYS  63           HD2      LYS  63  -4.825  15.420   4.057
  394   2HD   LYS  63           HD1      LYS  63  -3.867  16.427   2.975
  395   1HE   LYS  63           HE2      LYS  63  -5.967  17.733   2.502
  396   2HE   LYS  63           HE1      LYS  63  -6.729  16.842   3.816
  397   1HZ   LYS  63           HZ1      LYS  63  -4.368  17.795   4.848
  398   2HZ   LYS  63           HZ3      LYS  63  -4.991  19.079   3.939
  399   3HZ   LYS  63           HZ2      LYS  63  -5.922  18.380   5.166
  400    H    VAL  64           HN       VAL  64  -9.145  14.000   1.784
  401    HA   VAL  64           HA       VAL  64 -10.303  11.799   3.392
  402    HB   VAL  64           HB       VAL  64 -11.774  13.554   1.418
  403   1HG1  VAL  64          3HG1      VAL  64 -12.508  11.117   2.027
  404   2HG1  VAL  64          2HG1      VAL  64 -13.075  11.878   3.515
  405   3HG1  VAL  64          1HG1      VAL  64 -13.698  12.417   1.955
  406   1HG2  VAL  64          2HG2      VAL  64 -11.330  13.808   4.353
  407   2HG2  VAL  64          1HG2      VAL  64 -11.422  15.059   3.113
  408   3HG2  VAL  64          3HG2      VAL  64 -12.895  14.277   3.687
  409    H    ASN  65           HN       ASN  65  -8.783  10.377   2.295
  410    HA   ASN  65           HA       ASN  65  -9.492   9.872  -0.520
  411   1HB   ASN  65           HB2      ASN  65  -6.942   9.344   1.006
  412   2HB   ASN  65           HB1      ASN  65  -7.248   8.712  -0.606
  413   1HD2  ASN  65          1HD2      ASN  65  -7.761  11.875   0.963
  414   2HD2  ASN  65          2HD2      ASN  65  -6.937  12.789  -0.242
  415    H    THR  66           HN       THR  66  -9.564   7.686  -1.261
  416    HA   THR  66           HA       THR  66 -10.271   5.767   0.859
  417    HB   THR  66           HB       THR  66 -11.372   6.095  -1.935
  418    HG1  THR  66           HG1      THR  66 -12.177   7.229   0.099
  419   1HG2  THR  66          3HG2      THR  66 -11.253   3.682  -0.326
  420   2HG2  THR  66          2HG2      THR  66 -12.901   4.158  -0.738
  421   3HG2  THR  66          1HG2      THR  66 -11.710   3.902  -2.014
  422    H    LEU  67           HN       LEU  67  -8.675   4.373   1.138
  423    HA   LEU  67           HA       LEU  67  -6.736   3.812  -0.884
  424   1HB   LEU  67           HB2      LEU  67  -5.846   3.766   1.240
  425   2HB   LEU  67           HB1      LEU  67  -7.233   2.948   1.919
  426    HG   LEU  67           HG       LEU  67  -6.502   0.844   0.882
  427   1HD1  LEU  67          3HD1      LEU  67  -4.678   2.638  -0.491
  428   2HD1  LEU  67          2HD1      LEU  67  -3.877   1.246   0.231
  429   3HD1  LEU  67          1HD1      LEU  67  -5.198   1.005  -0.907
  430   1HD2  LEU  67          1HD2      LEU  67  -5.442   2.096   3.096
  431   2HD2  LEU  67          3HD2      LEU  67  -5.249   0.395   2.673
  432   3HD2  LEU  67          2HD2      LEU  67  -4.014   1.564   2.208
  433    H    VAL  68           HN       VAL  68  -6.592   2.149  -2.265
  434    HA   VAL  68           HA       VAL  68  -8.801   0.205  -2.294
  435    HB   VAL  68           HB       VAL  68  -6.996   1.013  -4.577
  436   1HG1  VAL  68          3HG1      VAL  68  -9.530  -0.616  -4.491
  437   2HG1  VAL  68          2HG1      VAL  68  -8.753  -0.044  -5.968
  438   3HG1  VAL  68          1HG1      VAL  68  -7.914  -1.183  -4.912
  439   1HG2  VAL  68          1HG2      VAL  68  -8.603   2.770  -3.554
  440   2HG2  VAL  68          3HG2      VAL  68  -8.574   2.536  -5.302
  441   3HG2  VAL  68          2HG2      VAL  68  -9.863   1.818  -4.336
  442    H    MET  69           HN       MET  69  -8.167  -1.643  -1.330
  443    HA   MET  69           HA       MET  69  -5.717  -2.907  -2.329
  444   1HB   MET  69           HB2      MET  69  -6.481  -2.932   0.592
  445   2HB   MET  69           HB1      MET  69  -5.017  -3.582  -0.133
  446   1HG   MET  69           HG2      MET  69  -5.773  -0.672  -0.045
  447   2HG   MET  69           HG1      MET  69  -4.627  -1.465   1.032
  448   1HE   MET  69           HE1      MET  69  -2.873  -0.195   0.848
  449   2HE   MET  69           HE3      MET  69  -1.678  -1.222   0.061
  450   3HE   MET  69           HE2      MET  69  -2.018   0.380  -0.582
  451    H    ASP  70           HN       ASP  70  -6.145  -4.855  -3.103
  452    HA   ASP  70           HA       ASP  70  -7.105  -6.883  -3.469
  453   1HB   ASP  70           HB2      ASP  70  -6.597  -7.154  -1.020
  454   2HB   ASP  70           HB1      ASP  70  -8.245  -6.632  -0.681
  455    H    GLY  71           HN       GLY  71  -8.468  -4.708  -4.478
  456   1HA   GLY  71           HA1      GLY  71 -11.023  -5.812  -4.962
  457   2HA   GLY  71           HA2      GLY  71 -10.492  -4.207  -5.442
  458    H    THR  72           HN       THR  72  -9.895  -3.887  -2.387
  459    HA   THR  72           HA       THR  72 -12.652  -3.515  -1.468
  460    HB   THR  72           HB       THR  72 -10.156  -3.158   0.182
  461    HG1  THR  72           HG1      THR  72 -11.580  -5.538  -0.381
  462   1HG2  THR  72          1HG2      THR  72 -13.011  -3.191   0.742
  463   2HG2  THR  72          3HG2      THR  72 -12.078  -4.286   1.761
  464   3HG2  THR  72          2HG2      THR  72 -11.666  -2.572   1.702
  465    H    ALA  73           HN       ALA  73 -13.405  -1.546  -0.716
  466    HA   ALA  73           HA       ALA  73 -11.810   0.788  -1.545
  467   1HB   ALA  73           HB1      ALA  73 -14.543   0.020  -2.087
  468   2HB   ALA  73           HB3      ALA  73 -14.457   1.617  -1.340
  469   3HB   ALA  73           HB2      ALA  73 -13.561   1.286  -2.824
  470    H    LEU  74           HN       LEU  74 -10.852   0.553   0.659
  471    HA   LEU  74           HA       LEU  74 -12.528   1.158   2.900
  472   1HB   LEU  74           HB2      LEU  74 -10.550   1.048   4.230
  473   2HB   LEU  74           HB1      LEU  74 -10.529  -0.282   3.087
  474    HG   LEU  74           HG       LEU  74  -9.124   1.818   1.841
  475   1HD1  LEU  74          1HD1      LEU  74  -8.556   1.599   4.771
  476   2HD1  LEU  74          3HD1      LEU  74  -7.285   2.030   3.626
  477   3HD1  LEU  74          2HD1      LEU  74  -8.722   3.042   3.773
  478   1HD2  LEU  74          3HD2      LEU  74  -8.521  -0.858   2.969
  479   2HD2  LEU  74          2HD2      LEU  74  -8.313  -0.244   1.329
  480   3HD2  LEU  74          1HD2      LEU  74  -7.157   0.193   2.587
  481    H    SER  75           HN       SER  75 -13.383   3.116   3.014
  482    HA   SER  75           HA       SER  75 -11.943   5.450   2.081
  483   1HB   SER  75           HB2      SER  75 -14.244   5.457   1.531
  484   2HB   SER  75           HB1      SER  75 -14.716   4.988   3.164
  485    HG   SER  75           HG       SER  75 -14.961   7.057   3.444
  486    H    TYR  76           HN       TYR  76 -10.801   6.793   3.323
  487    HA   TYR  76           HA       TYR  76 -11.437   7.223   6.085
  488   1HB   TYR  76           HB2      TYR  76  -9.403   6.398   7.063
  489   2HB   TYR  76           HB1      TYR  76 -10.151   5.089   6.156
  490    HD1  TYR  76           HD1      TYR  76  -7.115   6.206   7.013
  491    HD2  TYR  76           HD2      TYR  76  -9.305   5.401   3.456
  492    HE1  TYR  76           HE1      TYR  76  -5.006   5.839   5.804
  493    HE2  TYR  76           HE2      TYR  76  -7.203   5.037   2.239
  494    HH   TYR  76           HH       TYR  76  -4.954   5.255   2.323
  495    H    ALA  77           HN       ALA  77 -10.320   8.980   7.017
  496    HA   ALA  77           HA       ALA  77  -9.459  10.911   5.071
  497   1HB   ALA  77           HB3      ALA  77 -10.156  10.944   7.947
  498   2HB   ALA  77           HB2      ALA  77  -9.059  12.202   7.373
  499   3HB   ALA  77           HB1      ALA  77 -10.655  12.024   6.644
  500    H    PHE  78           HN       PHE  78  -7.449  10.780   4.282
  501    HA   PHE  78           HA       PHE  78  -5.299   9.489   5.505
  502   1HB   PHE  78           HB2      PHE  78  -5.741  11.029   3.100
  503   2HB   PHE  78           HB1      PHE  78  -4.177  11.422   3.806
  504    HD1  PHE  78           HD1      PHE  78  -3.557   8.725   5.005
  505    HD2  PHE  78           HD2      PHE  78  -5.074   9.844   1.191
  506    HE1  PHE  78           HE1      PHE  78  -2.602   6.678   4.032
  507    HE2  PHE  78           HE2      PHE  78  -4.129   7.794   0.213
  508    HZ   PHE  78           HZ       PHE  78  -2.888   6.210   1.632
  509    H    ALA  79           HN       ALA  79  -4.774  10.057   7.506
  510    HA   ALA  79           HA       ALA  79  -4.817  12.384   8.863
  511   1HB   ALA  79           HB3      ALA  79  -2.758  11.484  10.078
  512   2HB   ALA  79           HB1      ALA  79  -2.821  10.140   8.933
  513   3HB   ALA  79           HB2      ALA  79  -4.182  10.447  10.018
  514    H    GLU  80           HN       GLU  80  -2.963  13.766   9.618
  515    HA   GLU  80           HA       GLU  80  -1.786  15.124   7.402
  516   1HB   GLU  80           HB2      GLU  80  -2.521  16.153   9.623
  517   2HB   GLU  80           HB1      GLU  80  -1.053  15.482  10.311
  518   1HG   GLU  80           HG2      GLU  80  -0.837  17.168   7.876
  519   2HG   GLU  80           HG1      GLU  80  -1.154  17.950   9.422
  520    H    ALA  81           HN       ALA  81  -0.741  12.932   6.747
  521    HA   ALA  81           HA       ALA  81   1.671  12.274   8.208
  522   1HB   ALA  81           HB3      ALA  81   1.937  10.466   6.650
  523   2HB   ALA  81           HB1      ALA  81   0.694  11.139   5.595
  524   3HB   ALA  81           HB2      ALA  81   0.259  10.521   7.187
  525    H    THR  82           HN       THR  82   3.749  12.551   7.532
  526    HA   THR  82           HA       THR  82   4.226  14.067   5.065
  527    HB   THR  82           HB       THR  82   4.293  15.826   6.608
  528    HG1  THR  82           HG1      THR  82   6.289  15.568   5.407
  529   1HG2  THR  82          3HG2      THR  82   4.742  13.851   8.552
  530   2HG2  THR  82          2HG2      THR  82   6.109  14.963   8.631
  531   3HG2  THR  82          1HG2      THR  82   4.464  15.577   8.792
  532    H    VAL  83           HN       VAL  83   5.712  12.388   7.804
  533    HA   VAL  83           HA       VAL  83   8.084  11.683   6.318
  534    HB   VAL  83           HB       VAL  83   7.311  10.324   8.872
  535   1HG1  VAL  83          3HG1      VAL  83   9.826  11.145   7.503
  536   2HG1  VAL  83          2HG1      VAL  83   9.825  10.948   9.255
  537   3HG1  VAL  83          1HG1      VAL  83   9.384   9.593   8.216
  538   1HG2  VAL  83          1HG2      VAL  83   8.026  13.227   8.606
  539   2HG2  VAL  83          3HG2      VAL  83   6.703  12.492   9.510
  540   3HG2  VAL  83          2HG2      VAL  83   8.363  12.318  10.080
  541    HA   PRO  84           HA       PRO  84   6.689   8.022   4.243
  542   1HB   PRO  84           HB2      PRO  84   9.018   6.732   5.619
  543   2HB   PRO  84           HB1      PRO  84   8.511   6.618   3.929
  544   1HG   PRO  84           HG2      PRO  84  10.532   8.198   4.615
  545   2HG   PRO  84           HG1      PRO  84   9.353   8.717   3.396
  546   1HD   PRO  84           HD2      PRO  84   9.687   9.610   6.208
  547   2HD   PRO  84           HD1      PRO  84   9.086  10.511   4.804
  548    H    VAL  85           HN       VAL  85   4.821   7.978   5.708
  549    HA   VAL  85           HA       VAL  85   5.029   6.078   7.932
  550    HB   VAL  85           HB       VAL  85   2.679   7.815   7.149
  551   1HG1  VAL  85          2HG1      VAL  85   2.666   5.590   8.724
  552   2HG1  VAL  85          1HG1      VAL  85   2.931   6.869   9.909
  553   3HG1  VAL  85          3HG1      VAL  85   1.522   6.926   8.852
  554   1HG2  VAL  85          1HG2      VAL  85   5.132   8.464   8.538
  555   2HG2  VAL  85          3HG2      VAL  85   3.832   9.527   7.998
  556   3HG2  VAL  85          2HG2      VAL  85   3.724   8.727   9.566
  557    H    THR  86           HN       THR  86   4.362   4.042   7.716
  558    HA   THR  86           HA       THR  86   2.892   3.313   5.294
  559    HB   THR  86           HB       THR  86   3.683   1.027   6.831
  560    HG1  THR  86           HG1      THR  86   5.809   2.807   6.257
  561   1HG2  THR  86          3HG2      THR  86   3.468   1.469   4.257
  562   2HG2  THR  86          2HG2      THR  86   5.174   1.887   4.414
  563   3HG2  THR  86          1HG2      THR  86   4.612   0.285   4.890
  564    H    TYR  87           HN       TYR  87   0.755   3.490   5.608
  565    HA   TYR  87           HA       TYR  87  -0.576   3.032   8.063
  566   1HB   TYR  87           HB2      TYR  87  -1.871   4.344   6.696
  567   2HB   TYR  87           HB1      TYR  87  -1.362   3.513   5.235
  568    HD1  TYR  87           HD1      TYR  87  -2.491   1.442   4.532
  569    HD2  TYR  87           HD2      TYR  87  -3.829   3.659   7.908
  570    HE1  TYR  87           HE1      TYR  87  -4.627   0.235   4.463
  571    HE2  TYR  87           HE2      TYR  87  -5.974   2.458   7.852
  572    HH   TYR  87           HH       TYR  87  -7.348   1.212   6.311
  573    H    VAL  88           HN       VAL  88  -0.467   1.088   9.024
  574    HA   VAL  88           HA       VAL  88  -0.361  -1.344   7.473
  575    HB   VAL  88           HB       VAL  88  -0.502  -1.048  10.472
  576   1HG1  VAL  88          2HG1      VAL  88  -1.087  -3.285   9.627
  577   2HG1  VAL  88          1HG1      VAL  88   0.450  -3.347   8.763
  578   3HG1  VAL  88          3HG1      VAL  88   0.431  -3.292  10.526
  579   1HG2  VAL  88          3HG2      VAL  88   1.806  -0.984   8.560
  580   2HG2  VAL  88          2HG2      VAL  88   1.439   0.106   9.897
  581   3HG2  VAL  88          1HG2      VAL  88   2.015  -1.529  10.225
  582    H    GLN  89           HN       GLN  89  -2.015  -2.530   6.873
  583    HA   GLN  89           HA       GLN  89  -4.417  -2.647   8.539
  584   1HB   GLN  89           HB2      GLN  89  -4.996  -1.019   6.838
  585   2HB   GLN  89           HB1      GLN  89  -4.394  -2.074   5.567
  586   1HG   GLN  89           HG2      GLN  89  -6.161  -3.695   6.107
  587   2HG   GLN  89           HG1      GLN  89  -6.781  -2.584   7.328
  588   1HE2  GLN  89          1HE2      GLN  89  -8.769  -2.676   6.127
  589   2HE2  GLN  89          2HE2      GLN  89  -8.976  -1.683   4.729
  590    H    THR  90           HN       THR  90  -4.522  -4.744   9.063
  591    HA   THR  90           HA       THR  90  -3.278  -6.729   7.410
  592    HB   THR  90           HB       THR  90  -4.318  -8.286   9.199
  593    HG1  THR  90           HG1      THR  90  -5.129  -7.324  10.961
  594   1HG2  THR  90          3HG2      THR  90  -2.271  -6.185   9.841
  595   2HG2  THR  90          2HG2      THR  90  -2.664  -7.522  10.927
  596   3HG2  THR  90          1HG2      THR  90  -2.005  -7.852   9.324
  597    H    LYS  91           HN       LYS  91  -4.144  -7.629   5.736
  598    HA   LYS  91           HA       LYS  91  -7.025  -8.223   5.733
  599   1HB   LYS  91           HB2      LYS  91  -6.683  -6.259   4.332
  600   2HB   LYS  91           HB1      LYS  91  -5.406  -7.082   3.446
  601   1HG   LYS  91           HG2      LYS  91  -7.069  -7.444   1.977
  602   2HG   LYS  91           HG1      LYS  91  -7.405  -8.814   3.036
  603   1HD   LYS  91           HD2      LYS  91  -8.945  -7.240   4.317
  604   2HD   LYS  91           HD1      LYS  91  -8.782  -6.142   2.944
  605   1HE   LYS  91           HE2      LYS  91  -9.437  -8.918   2.241
  606   2HE   LYS  91           HE1      LYS  91 -10.680  -8.076   3.166
  607   1HZ   LYS  91           HZ3      LYS  91  -9.552  -6.545   0.990
  608   2HZ   LYS  91           HZ2      LYS  91 -10.401  -7.922   0.503
  609   3HZ   LYS  91           HZ1      LYS  91 -11.167  -6.747   1.449
  610    H    THR  92           HN       THR  92  -7.385 -10.323   5.427
  611    HA   THR  92           HA       THR  92  -5.273 -12.121   4.847
  612    HB   THR  92           HB       THR  92  -8.119 -12.958   4.596
  613    HG1  THR  92           HG1      THR  92  -8.615 -12.150   6.447
  614   1HG2  THR  92          3HG2      THR  92  -5.712 -14.098   5.987
  615   2HG2  THR  92          2HG2      THR  92  -7.335 -14.782   6.092
  616   3HG2  THR  92          1HG2      THR  92  -6.505 -14.714   4.536
  617    H    LEU  93           HN       LEU  93  -4.394 -12.308   2.884
  618    HA   LEU  93           HA       LEU  93  -6.045 -11.844   0.531
  619   1HB   LEU  93           HB2      LEU  93  -3.122 -11.905   1.090
  620   2HB   LEU  93           HB1      LEU  93  -3.639 -12.309  -0.533
  621    HG   LEU  93           HG       LEU  93  -3.685  -9.682   0.875
  622   1HD1  LEU  93          1HD1      LEU  93  -2.555 -10.860  -1.493
  623   2HD1  LEU  93          3HD1      LEU  93  -3.472  -9.410  -1.893
  624   3HD1  LEU  93          2HD1      LEU  93  -2.178  -9.330  -0.703
  625   1HD2  LEU  93          3HD2      LEU  93  -5.833 -10.679  -0.956
  626   2HD2  LEU  93          2HD2      LEU  93  -5.964  -9.658   0.478
  627   3HD2  LEU  93          1HD2      LEU  93  -5.340  -8.988  -1.026
  628    H    SER  94           HN       SER  94  -6.477 -13.342  -1.038
  629    HA   SER  94           HA       SER  94  -5.720 -16.087  -0.404
  630   1HB   SER  94           HB2      SER  94  -7.865 -16.642  -1.758
  631   2HB   SER  94           HB1      SER  94  -8.026 -16.084  -0.092
  632    HG   SER  94           HG       SER  94  -8.822 -14.219  -0.772
  633    H    ALA  95           HN       ALA  95  -5.159 -17.484  -2.048
  634    HA   ALA  95           HA       ALA  95  -3.616 -16.555  -4.121
  635   1HB   ALA  95           HB2      ALA  95  -4.933 -19.138  -3.505
  636   2HB   ALA  95           HB3      ALA  95  -3.222 -18.758  -3.708
  637   3HB   ALA  95           HB1      ALA  95  -4.263 -18.925  -5.123
  638    H    GLY  96           HN       GLY  96  -3.892 -16.384  -6.374
  639   1HA   GLY  96           HA1      GLY  96  -6.667 -15.790  -7.170
  640   2HA   GLY  96           HA2      GLY  96  -5.657 -16.806  -8.188
  641    H    ASN  97           HN       ASN  97  -6.748 -13.717  -7.715
  642    HA   ASN  97           HA       ASN  97  -4.440 -12.221  -8.454
  643   1HB   ASN  97           HB2      ASN  97  -5.373 -13.588 -10.573
  644   2HB   ASN  97           HB1      ASN  97  -6.404 -12.165 -10.677
  645   1HD2  ASN  97          1HD2      ASN  97  -5.288 -10.058 -10.641
  646   2HD2  ASN  97          2HD2      ASN  97  -3.757  -9.932 -11.432
  647    H    HIS  98           HN       HIS  98  -4.777 -10.029  -8.349
  648    HA   HIS  98           HA       HIS  98  -7.403  -8.896  -8.322
  649   1HB   HIS  98           HB2      HIS  98  -6.904  -7.922  -5.923
  650   2HB   HIS  98           HB1      HIS  98  -7.723  -9.462  -6.128
  651    HD1  HIS  98           HD1      HIS  98  -6.749  -9.573  -3.561
  652    HD2  HIS  98           HD2      HIS  98  -4.034 -10.121  -6.656
  653    HE1  HIS  98           HE1      HIS  98  -4.760 -10.703  -2.537
  654    HE2  HIS  98           HE2      HIS  98  -3.066 -10.844  -4.387
  655    H    SER  99           HN       SER  99  -7.293  -6.510  -7.689
  656    HA   SER  99           HA       SER  99  -4.718  -5.410  -8.605
  657   1HB   SER  99           HB2      SER  99  -6.344  -3.458  -9.368
  658   2HB   SER  99           HB1      SER  99  -6.066  -4.869 -10.390
  659    HG   SER  99           HG       SER  99  -8.180  -4.745  -8.514
  660    H    PHE 100           HN       PHE 100  -3.715  -4.380  -7.039
  661    HA   PHE 100           HA       PHE 100  -5.212  -3.188  -4.831
  662   1HB   PHE 100           HB2      PHE 100  -2.316  -3.853  -5.304
  663   2HB   PHE 100           HB1      PHE 100  -2.783  -2.755  -4.013
  664    HD1  PHE 100           HD1      PHE 100  -3.860  -3.546  -2.041
  665    HD2  PHE 100           HD2      PHE 100  -2.979  -6.204  -5.236
  666    HE1  PHE 100           HE1      PHE 100  -4.312  -5.453  -0.562
  667    HE2  PHE 100           HE2      PHE 100  -3.430  -8.126  -3.764
  668    HZ   PHE 100           HZ       PHE 100  -4.098  -7.742  -1.424
  669    H    GLY 101           HN       GLY 101  -4.096  -0.967  -4.039
  670   1HA   GLY 101           HA1      GLY 101  -4.345   0.767  -6.364
  671   2HA   GLY 101           HA2      GLY 101  -2.812   0.820  -5.530
  672    H    VAL 102           HN       VAL 102  -4.659   2.926  -5.961
  673    HA   VAL 102           HA       VAL 102  -5.951   3.480  -3.426
  674    HB   VAL 102           HB       VAL 102  -4.208   5.738  -4.064
  675   1HG1  VAL 102          1HG1      VAL 102  -5.653   4.998  -1.961
  676   2HG1  VAL 102          3HG1      VAL 102  -4.100   4.303  -1.477
  677   3HG1  VAL 102          2HG1      VAL 102  -4.231   6.034  -1.820
  678   1HG2  VAL 102          3HG2      VAL 102  -2.650   3.900  -4.669
  679   2HG2  VAL 102          2HG2      VAL 102  -2.129   4.847  -3.269
  680   3HG2  VAL 102          1HG2      VAL 102  -2.848   3.246  -3.037
  681    H    ARG 103           HN       ARG 103  -7.792   4.546  -3.870
  682    HA   ARG 103           HA       ARG 103  -7.883   6.131  -6.357
  683   1HB   ARG 103           HB2      ARG 103  -9.213   4.327  -6.908
  684   2HB   ARG 103           HB1      ARG 103  -9.775   4.104  -5.261
  685   1HG   ARG 103           HG2      ARG 103 -11.625   4.827  -6.543
  686   2HG   ARG 103           HG1      ARG 103 -11.143   6.184  -5.529
  687   1HD   ARG 103           HD2      ARG 103 -11.084   7.423  -7.376
  688   2HD   ARG 103           HD1      ARG 103  -9.671   6.491  -7.872
  689    HE   ARG 103           HE       ARG 103 -10.960   5.605  -9.520
  690   1HH1  ARG 103          1HH1      ARG 103 -13.067   6.550  -6.901
  691   2HH1  ARG 103          2HH1      ARG 103 -14.513   6.074  -7.726
  692   1HH2  ARG 103          1HH2      ARG 103 -12.864   4.978 -10.606
  693   2HH2  ARG 103          2HH2      ARG 103 -14.398   5.181  -9.828
  694    H    VAL 104           HN       VAL 104  -9.245   7.912  -6.447
  695    HA   VAL 104           HA       VAL 104 -10.357   8.895  -3.930
  696    HB   VAL 104           HB       VAL 104  -9.336  11.198  -5.222
  697   1HG1  VAL 104          3HG1      VAL 104  -9.077   9.779  -2.684
  698   2HG1  VAL 104          2HG1      VAL 104  -7.768  10.891  -3.076
  699   3HG1  VAL 104          1HG1      VAL 104  -9.433  11.461  -3.049
  700   1HG2  VAL 104          1HG2      VAL 104  -7.308   8.965  -5.069
  701   2HG2  VAL 104          3HG2      VAL 104  -7.691   9.993  -6.450
  702   3HG2  VAL 104          2HG2      VAL 104  -6.859  10.669  -5.050
  703    H    GLY 105           HN       GLY 105 -12.260  10.002  -4.164
  704   1HA   GLY 105           HA1      GLY 105 -14.030   9.620  -6.089
  705   2HA   GLY 105           HA2      GLY 105 -13.060  10.879  -6.835
  706    H    SER 106           HN       SER 106 -15.658  11.409  -6.521
  707    HA   SER 106           HA       SER 106 -15.729  13.806  -5.142
  708   1HB   SER 106           HB2      SER 106 -18.070  13.855  -5.565
  709   2HB   SER 106           HB1      SER 106 -17.360  12.959  -6.908
  710    HG   SER 106           HG       SER 106 -18.994  12.075  -4.839
  711    H    SER 107           HN       SER 107 -16.767  10.597  -4.068
  712    HA   SER 107           HA       SER 107 -17.720  11.496  -1.530
  713   1HB   SER 107           HB2      SER 107 -17.256   8.850  -2.828
  714   2HB   SER 107           HB1      SER 107 -17.398   8.896  -1.071
  715    HG   SER 107           HG       SER 107 -19.394   8.640  -2.430
  716    H    ASP 108           HN       ASP 108 -14.620  10.893  -2.795
  717    HA   ASP 108           HA       ASP 108 -13.411  11.406  -0.240
  718   1HB   ASP 108           HB2      ASP 108 -11.848   9.409  -0.519
  719   2HB   ASP 108           HB1      ASP 108 -13.491   9.051   0.006
  720    H    TRP 109           HN       TRP 109 -12.896  13.312  -1.468
  721    HA   TRP 109           HA       TRP 109 -11.402  13.319  -3.840
  722   1HB   TRP 109           HB2      TRP 109 -10.901  15.643  -3.298
  723   2HB   TRP 109           HB1      TRP 109 -12.599  15.287  -2.998
  724    HD1  TRP 109           HD1      TRP 109 -13.475  15.955  -0.644
  725    HE1  TRP 109           HE1      TRP 109 -12.349  16.713   1.549
  726    HE3  TRP 109           HE3      TRP 109  -8.630  15.200  -1.972
  727    HZ2  TRP 109           HZ2      TRP 109  -9.712  16.954   2.567
  728    HZ3  TRP 109           HZ3      TRP 109  -6.856  15.711  -0.347
  729    HH2  TRP 109           HH2      TRP 109  -7.393  16.564   1.862
  730    H    GLY 110           HN       GLY 110  -9.150  13.926  -4.170
  731   1HA   GLY 110           HA1      GLY 110  -7.122  12.586  -3.646
  732   2HA   GLY 110           HA2      GLY 110  -7.447  12.953  -1.961
  733    H    TYR 111           HN       TYR 111  -5.140  13.540  -2.210
  734    HA   TYR 111           HA       TYR 111  -4.013  15.583  -3.583
  735   1HB   TYR 111           HB2      TYR 111  -5.983  16.617  -1.691
  736   2HB   TYR 111           HB1      TYR 111  -4.379  17.272  -1.394
  737    HD1  TYR 111           HD1      TYR 111  -7.344  17.864  -3.055
  738    HD2  TYR 111           HD2      TYR 111  -3.142  17.967  -3.718
  739    HE1  TYR 111           HE1      TYR 111  -7.680  19.473  -4.882
  740    HE2  TYR 111           HE2      TYR 111  -3.466  19.580  -5.548
  741    HH   TYR 111           HH       TYR 111  -6.370  21.224  -6.059
  742    H    MET 112           HN       MET 112  -2.941  13.427  -2.717
  743    HA   MET 112           HA       MET 112  -1.116  14.245  -0.567
  744   1HB   MET 112           HB2      MET 112  -1.258  11.977   0.427
  745   2HB   MET 112           HB1      MET 112  -2.779  12.851   0.526
  746   1HG   MET 112           HG2      MET 112  -3.802  11.153  -0.444
  747   2HG   MET 112           HG1      MET 112  -2.831  11.408  -1.892
  748   1HE   MET 112           HE1      MET 112  -3.927   8.665  -1.542
  749   2HE   MET 112           HE3      MET 112  -2.644   8.896  -2.728
  750   3HE   MET 112           HE2      MET 112  -2.559   7.547  -1.593
  751    H    ASN 113           HN       ASN 113   0.458  12.061  -0.393
  752    HA   ASN 113           HA       ASN 113   1.436  11.694  -3.144
  753   1HB   ASN 113           HB2      ASN 113   2.931  12.069  -0.557
  754   2HB   ASN 113           HB1      ASN 113   3.699  11.359  -1.974
  755   1HD2  ASN 113          1HD2      ASN 113   4.142  13.904  -0.501
  756   2HD2  ASN 113          2HD2      ASN 113   4.062  15.137  -1.708
  757    H    VAL 114           HN       VAL 114   1.693   9.678  -3.864
  758    HA   VAL 114           HA       VAL 114   1.230   7.478  -1.975
  759    HB   VAL 114           HB       VAL 114   0.913   7.604  -4.981
  760   1HG1  VAL 114          3HG1      VAL 114   1.238   5.306  -3.193
  761   2HG1  VAL 114          2HG1      VAL 114  -0.189   5.227  -4.228
  762   3HG1  VAL 114          1HG1      VAL 114   1.411   5.415  -4.944
  763   1HG2  VAL 114          2HG2      VAL 114  -0.953   7.537  -2.655
  764   2HG2  VAL 114          1HG2      VAL 114  -0.987   8.566  -4.085
  765   3HG2  VAL 114          3HG2      VAL 114  -1.466   6.870  -4.204
  766    H    HIS 115           HN       HIS 115   3.364   7.427  -1.192
  767    HA   HIS 115           HA       HIS 115   5.681   7.311  -2.729
  768   1HB   HIS 115           HB2      HIS 115   5.807   7.701  -0.357
  769   2HB   HIS 115           HB1      HIS 115   5.082   6.137  -0.013
  770    HD1  HIS 115           HD1      HIS 115   6.599   4.026  -0.384
  771    HD2  HIS 115           HD2      HIS 115   8.540   7.678  -0.794
  772    HE1  HIS 115           HE1      HIS 115   9.056   3.494  -0.310
  773    HE2  HIS 115           HE2      HIS 115  10.210   5.707  -0.660
  774    H    SER 116           HN       SER 116   3.788   4.592  -1.378
  775    HA   SER 116           HA       SER 116   4.145   2.973  -3.652
  776   1HB   SER 116           HB2      SER 116   6.506   3.038  -2.649
  777   2HB   SER 116           HB1      SER 116   5.851   2.035  -1.356
  778    HG   SER 116           HG       SER 116   6.240   1.433  -4.064
  779    H    LEU 117           HN       LEU 117   3.596   0.640  -3.200
  780    HA   LEU 117           HA       LEU 117   1.606   0.467  -1.029
  781   1HB   LEU 117           HB2      LEU 117   1.065   0.355  -3.657
  782   2HB   LEU 117           HB1      LEU 117   1.438  -1.333  -3.387
  783    HG   LEU 117           HG       LEU 117  -0.593   0.084  -1.679
  784   1HD1  LEU 117          3HD1      LEU 117  -0.883  -0.888  -4.476
  785   2HD1  LEU 117          2HD1      LEU 117  -2.224  -1.071  -3.345
  786   3HD1  LEU 117          1HD1      LEU 117  -1.577   0.531  -3.692
  787   1HD2  LEU 117          1HD2      LEU 117   0.081  -2.766  -2.378
  788   2HD2  LEU 117          3HD2      LEU 117  -0.021  -2.023  -0.786
  789   3HD2  LEU 117          2HD2      LEU 117  -1.490  -2.338  -1.705
  790    H    LYS 118           HN       LYS 118   3.040  -0.412   0.478
  791    HA   LYS 118           HA       LYS 118   4.550  -2.789  -0.210
  792   1HB   LYS 118           HB2      LYS 118   5.566  -1.073   1.212
  793   2HB   LYS 118           HB1      LYS 118   4.299  -1.302   2.409
  794   1HG   LYS 118           HG2      LYS 118   5.215  -3.198   3.220
  795   2HG   LYS 118           HG1      LYS 118   5.814  -3.714   1.642
  796   1HD   LYS 118           HD2      LYS 118   7.424  -1.657   1.942
  797   2HD   LYS 118           HD1      LYS 118   7.064  -1.900   3.653
  798   1HE   LYS 118           HE2      LYS 118   8.346  -3.815   1.723
  799   2HE   LYS 118           HE1      LYS 118   9.012  -3.157   3.217
  800   1HZ   LYS 118           HZ1      LYS 118   6.863  -4.383   4.160
  801   2HZ   LYS 118           HZ3      LYS 118   7.171  -5.373   2.824
  802   3HZ   LYS 118           HZ2      LYS 118   8.361  -5.150   4.005
  803    H    LEU 119           HN       LEU 119   4.189  -4.827   0.474
  804    HA   LEU 119           HA       LEU 119   1.868  -5.335   2.203
  805   1HB   LEU 119           HB2      LEU 119   2.100  -5.980  -0.580
  806   2HB   LEU 119           HB1      LEU 119   2.058  -7.470   0.343
  807    HG   LEU 119           HG       LEU 119   0.008  -5.590   1.216
  808   1HD1  LEU 119          1HD1      LEU 119   0.078  -6.421  -1.673
  809   2HD1  LEU 119          3HD1      LEU 119  -1.405  -5.960  -0.837
  810   3HD1  LEU 119          2HD1      LEU 119  -0.091  -4.796  -1.007
  811   1HD2  LEU 119          3HD2      LEU 119   0.207  -8.456   0.401
  812   2HD2  LEU 119          2HD2      LEU 119  -0.309  -7.755   1.934
  813   3HD2  LEU 119          1HD2      LEU 119  -1.383  -7.698   0.534
  814    H    GLU 120           HN       GLU 120   2.324  -6.683   3.827
  815    HA   GLU 120           HA       GLU 120   4.789  -8.289   3.637
  816   1HB   GLU 120           HB2      GLU 120   4.663  -6.346   5.314
  817   2HB   GLU 120           HB1      GLU 120   3.541  -7.358   6.212
  818   1HG   GLU 120           HG2      GLU 120   5.640  -9.057   5.764
  819   2HG   GLU 120           HG1      GLU 120   6.442  -7.505   5.998
  820    H    LEU 121           HN       LEU 121   4.809 -10.368   4.582
  821    HA   LEU 121           HA       LEU 121   2.207 -11.669   4.542
  822   1HB   LEU 121           HB2      LEU 121   5.024 -12.508   4.255
  823   2HB   LEU 121           HB1      LEU 121   3.966 -13.672   5.024
  824    HG   LEU 121           HG       LEU 121   4.358 -13.699   2.426
  825   1HD1  LEU 121          2HD1      LEU 121   2.919 -15.220   3.712
  826   2HD1  LEU 121          1HD1      LEU 121   1.613 -14.039   3.618
  827   3HD1  LEU 121          3HD1      LEU 121   2.225 -14.797   2.147
  828   1HD2  LEU 121          3HD2      LEU 121   3.653 -11.347   2.121
  829   2HD2  LEU 121          2HD2      LEU 121   2.700 -12.485   1.172
  830   3HD2  LEU 121          1HD2      LEU 121   2.034 -11.793   2.650
  831    H    LEU 122           HN       LEU 122   2.641  -9.959   6.760
  832    HA   LEU 122           HA       LEU 122   2.608  -9.875   9.039
  833   1HB   LEU 122           HB2      LEU 122   0.888 -12.029   8.130
  834   2HB   LEU 122           HB1      LEU 122   1.456 -12.304   9.765
  835    HG   LEU 122           HG       LEU 122   0.214  -9.685   8.969
  836   1HD1  LEU 122          1HD1      LEU 122  -1.161 -11.971   8.646
  837   2HD1  LEU 122          3HD1      LEU 122  -1.458 -11.674  10.359
  838   3HD1  LEU 122          2HD1      LEU 122  -1.896 -10.453   9.163
  839   1HD2  LEU 122          3HD2      LEU 122   1.468  -9.777  11.070
  840   2HD2  LEU 122          2HD2      LEU 122  -0.256  -9.536  11.353
  841   3HD2  LEU 122          1HD2      LEU 122   0.465 -11.126  11.608
  842    H    GLY 123           HN       GLY 123   5.000 -11.108   7.830
  843   1HA   GLY 123           HA1      GLY 123   6.263 -11.966  10.209
  844   2HA   GLY 123           HA2      GLY 123   6.949 -12.052   8.593

  No H/Q in entry =         844