*HEADER    DNA BINDING PROTEIN                     10-SEP-13   2MDG              
*TITLE     SOLUTION NMR STRUCTURE OF ZINC FINGER PROTEIN 423 FROM HOMO SAPIENS,  
*TITLE    2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET HR7298F       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN 423;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 928-981;                                      
*COMPND   5 SYNONYM: OLF1/EBF-ASSOCIATED ZINC FINGER PROTEIN, HOAZ, SMAD- AND    
*COMPND   6 OLF-INTERACTING ZINC FINGER PROTEIN;                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: KIAA0760, NPHP14, OAZ, ZNF423;                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PMGK;                             
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET15AVI6HT_NESG                           
*KEYWDS    STRUCTURAL GENOMICS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), 
*KEYWDS   2 TARGET HR7298F, PSI-BIOLOGY, PROTEIN STRUCTURE INITIATIVE, C2H2, DNA 
*KEYWDS   3 BINDING PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.PEDERSON, D.LEE, E.KOHAN, H.JANJUA, R.XIAO, J.K.EVERETT, T.B.ACTON, 
*AUTHOR   2 G.T.MONTELIONE, J.H.PRESTEGARD, NORTHEAST STRUCTURAL GENOMICS        
*AUTHOR   3 CONSORTIUM (NESG)                                                    
*REVDAT   1   25-SEP-13 2MDG    0                                                


VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d     %6s       %6s        %5d     %6s    %6s %9.3f %9.3f %.2f

   2      G     H   2      G     N   -3.002    1.000 1.00
   3      S     H   3      S     N   -6.294    1.000 1.00
   4      H     H   4      H     N   17.790    1.000 1.00
   5      K     H   5      K     N   -6.440    1.000 1.00
   6      C     H   6      C     N  -11.520    1.000 1.00
   7      N     H   7      N     N   -3.502    1.000 1.00
   8      V     H   8      V     N   -4.869    1.000 1.00
   9      C     H   9      C     N   -3.144    1.000 1.00
   10     S     H   10     S     N   -9.634    1.000 1.00
   11     R     H   11     R     N   12.602    1.000 1.00
   12     T     H   12     T     N  -16.372    1.000 1.00
   13     F     H   13     F     N  -13.129    1.000 1.00
   14     F     H   14     F     N   -2.304    1.000 1.00
   15     S     H   15     S     N   11.388    1.000 1.00
   16     E     H   16     E     N    9.026    1.000 1.00
   17     N     H   17     N     N    4.251    1.000 1.00
   18     G     H   18     G     N   19.196    1.000 1.00
   19     L     H   19     L     N   14.678    1.000 1.00
   20     R     H   20     R     N   12.631    1.000 1.00
   21     E     H   21     E     N   11.696    1.000 1.00
   22     H     H   22     H     N   16.075    1.000 1.00
   23     L     H   23     L     N    9.019    1.000 1.00
   24     Q     H   24     Q     N    2.089    1.000 1.00
   25     T     H   25     T     N   17.641    1.000 1.00
   26     H     H   26     H     N    6.849    1.000 1.00
   27     R     H   27     R     N   -8.983    1.000 1.00
   28     G     H   28     G     N   -5.742    1.000 1.00
   30     A     H   30     A     N   -9.931    1.000 1.00
   31     K     H   31     K     N   -6.162    1.000 1.00
   32     H     H   32     H     N   -9.274    1.000 1.00
   33     Y     H   33     Y     N   -8.685    1.000 1.00
   34     M     H   34     M     N   -9.284    1.000 1.00
   35     C     H   35     C     N   -8.954    1.000 1.00
   37     I     H   37     I     N   -8.243    1.000 1.00
   38     C     H   38     C     N  -10.470    1.000 1.00
   39     G     H   39     G     N  -10.358    1.000 1.00
   40     E     H   40     E     N   17.513    1.000 1.00
   41     R     H   41     R     N  -10.802    1.000 1.00
   42     F     H   42     F     N  -11.119    1.000 1.00
   44     S     H   44     S     N   13.679    1.000 1.00
   45     L     H   45     L     N   12.378    1.000 1.00
   46     L     H   46     L     N  -15.354    1.000 1.00
   47     T     H   47     T     N   22.393    1.000 1.00
   48     L     H   48     L     N   16.652    1.000 1.00
   49     T     H   49     T     N   14.414    1.000 1.00
   50     E     H   50     E     N   24.478    1.000 1.00
   51     H     H   51     H     N   17.278    1.000 1.00
   52     K     H   52     K     N   12.882    1.000 1.00
   53     V     H   53     V     N    9.443    1.000 1.00
   54     T     H   54     T     N   29.045    1.000 1.00
   55     H     H   55     H     N   -1.639    1.000 1.00
VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d     %6s       %6s        %5d     %6s    %6s %9.3f %9.3f %.2f


   34     S     H   34     S     N   -0.231    1.000 1.00
   35     H     H   35     H     N    1.002    1.000 1.00
   36     K     H   36     K     N   -0.976    1.000 1.00
   37     C     H   37     C     N    0.851    1.000 1.00
   38     N     H   38     N     N   -1.986    1.000 1.00
   39     V     H   39     V     N    0.603    1.000 1.00
   40     C     H   40     C     N   -1.316    1.000 1.00
   41     S     H   41     S     N    0.371    1.000 1.00
   42     R     H   42     R     N    0.802    1.000 1.00
   43     T     H   43     T     N    1.123    1.000 1.00
   46     S     H   46     S     N    1.077    1.000 1.00
   47     E     H   47     E     N   -1.186    1.000 1.00
   49     G     H   49     G     N   -0.519    1.000 1.00
   50     L     H   50     L     N   -0.542    1.000 1.00
   51     R     H   51     R     N   -0.460    1.000 1.00
   53     H     H   53     H     N    0.363    1.000 1.00
   54     L     H   54     L     N   -0.786    1.000 1.00
   55     Q     H   55     Q     N    0.107    1.000 1.00
   56     T     H   56     T     N   -0.672    1.000 1.00
   57     H     H   57     H     N   -0.499    1.000 1.00
   58     R     H   58     R     N   -0.225    1.000 1.00
   59     G     H   59     G     N   -0.382    1.000 1.00
   61     A     H   61     A     N   -0.442    1.000 1.00
   62     K     H   62     K     N    0.188    1.000 1.00
   64     Y     H   64     Y     N    1.253    1.000 1.00
   65     M     H   65     M     N   -0.459    1.000 1.00
   66     C     H   66     C     N    0.678    1.000 1.00
   68     I     H   68     I     N    0.081    1.000 1.00
   69     C     H   69     C     N   -0.540    1.000 1.00
   70     G     H   70     G     N   -0.227    1.000 1.00
   71     E     H   71     E     N   -0.274    1.000 1.00
   72     R     H   72     R     N    0.827    1.000 1.00
   73     F     H   73     F     N   -1.455    1.000 1.00
   75     S     H   75     S     N    1.862    1.000 1.00
   76     L     H   76     L     N   -1.327    1.000 1.00
   77     L     H   77     L     N   -1.095    1.000 1.00
   78     T     H   78     T     N    0.369    1.000 1.00
   79     L     H   79     L     N   -0.565    1.000 1.00
   80     T     H   80     T     N   -1.510    1.000 1.00
   81     E     H   81     E     N   -1.338    1.000 1.00
   82     H     H   82     H     N    0.142    1.000 1.00
   83     K     H   83     K     N   -1.095    1.000 1.00
   84     V     H   84     V     N   -0.829    1.000 1.00
   85     T     H   85     T     N   -0.347    1.000 1.00
   86     H     H   86     H     N   -0.648    1.000 1.00
assign ( resid    3 and name   HN )  ( resid    3 and name  HB* )    4.00   2.20   1.00 
assign ( resid    3 and name   HA )  ( resid    4 and name   HN )    3.00   1.20   0.50 
assign ( resid    4 and name   HN )  ( resid    4 and name  HB2 )    3.00   1.20   0.50 
assign ( resid    4 and name   HA )  ( resid    5 and name   HN )    2.00   0.20   0.70 
assign ( resid    5 and name   HN )  ( resid    5 and name  HB2 )    3.00   1.20   0.50 
assign ( resid    5 and name   HN )  ( resid    5 and name  HB1 )    3.00   1.20   0.50 
assign ( resid    5 and name   HN )  ( resid   19 and name HD1* )    4.00   2.20   1.00 
assign ( resid    6 and name   HN )  ( resid    6 and name  HB2 )    3.00   1.20   0.50 
assign ( resid    5 and name  HG* )  ( resid    6 and name   HN )    3.00   1.20   0.50 
assign ( resid    6 and name   HN )  ( resid   19 and name HD2* )    3.00   1.20   0.50 
assign ( resid    6 and name   HA )  ( resid    7 and name   HN )    3.00   1.20   0.50 
assign ( resid    7 and name   HN )  ( resid    7 and name  HB2 )    4.00   2.20   1.00 
assign ( resid    7 and name   HN )  ( resid    7 and name  HB1 )    4.00   2.20   1.00 
assign ( resid    8 and name   HN )  ( resid    8 and name   HB )    3.00   1.20   0.50 
assign ( resid    8 and name   HB )  ( resid    9 and name   HN )    2.00   0.20   0.70 
assign ( resid   10 and name   HN )  ( resid   10 and name   HA )    2.00   0.20   0.70 
assign ( resid    9 and name  HB2 )  ( resid   10 and name   HN )    3.00   1.20   0.50 
assign ( resid    9 and name   HN )  ( resid   10 and name   HN )    2.00   0.20   0.70 
assign ( resid    6 and name  HB1 )  ( resid   11 and name   HN )    3.00   1.20   0.50 
assign ( resid   11 and name   HN )  ( resid   11 and name  HG* )    3.00   1.20   0.50 
assign ( resid   11 and name   HN )  ( resid   11 and name  HB* )    2.00   0.20   0.70 
assign ( resid   11 and name  HB* )  ( resid   12 and name   HN )    3.00   1.20   0.50 
assign ( resid   16 and name   HN )  ( resid   16 and name  HB* )    3.00   1.20   0.50 
assign ( resid   17 and name  HB* )  ( resid   18 and name   HN )    3.00   1.20   0.50 
assign ( resid   18 and name   HN )  ( resid   19 and name   HN )    3.00   1.20   0.50 
assign ( resid   19 and name   HN )  ( resid   19 and name  HB2 )    2.00   0.20   0.70 
assign ( resid   19 and name   HN )  ( resid   19 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   19 and name   HN )  ( resid   19 and name HD2* )    4.00   2.20   1.00 
assign ( resid   34 and name   HN )  ( resid   34 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   34 and name   HN )  ( resid   34 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   20 and name   HN )  ( resid   21 and name   HN )    3.00   1.20   0.50 
assign ( resid   21 and name   HN )  ( resid   22 and name   HN )    3.00   1.20   0.50 
assign ( resid   18 and name  HA2 )  ( resid   21 and name   HN )    4.00   2.20   1.00 
assign ( resid   20 and name  HB* )  ( resid   21 and name   HN )    3.00   1.20   0.50 
assign ( resid   22 and name   HN )  ( resid   23 and name   HN )    3.00   1.20   0.50 
assign ( resid   22 and name   HN )  ( resid   22 and name  HB1 )    2.00   0.20   0.70 
assign ( resid   21 and name  HB1 )  ( resid   22 and name   HN )    3.00   1.20   0.50 
assign ( resid   19 and name   HA )  ( resid   22 and name   HN )    4.00   2.20   1.00 
assign ( resid   22 and name  HB1 )  ( resid   23 and name   HN )    3.00   1.20   0.50 
assign ( resid   23 and name   HN )  ( resid   23 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   23 and name   HN )  ( resid   23 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   23 and name   HN )  ( resid   23 and name  HD* )    3.00   1.20   0.50 
assign ( resid   23 and name   HN )  ( resid   24 and name   HN )    3.00   1.20   0.50 
assign ( resid   24 and name   HN )  ( resid   24 and name   HA )    3.00   1.20   0.50 
assign ( resid   24 and name   HN )  ( resid   24 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   25 and name   HN )  ( resid   26 and name   HN )    2.00   0.20   0.70 
assign ( resid   25 and name   HN )  ( resid   25 and name   HA )    3.00   1.20   0.50 
assign ( resid   24 and name  HB2 )  ( resid   25 and name   HN )    4.00   2.20   1.00 
assign ( resid   24 and name  HB1 )  ( resid   25 and name   HN )    4.00   2.20   1.00 
assign ( resid   25 and name   HN )  ( resid   25 and name HG2* )    2.00   0.20   0.70 
assign ( resid   26 and name   HN )  ( resid   26 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   27 and name   HA )  ( resid   28 and name   HN )    3.00   1.20   0.50 
assign ( resid   29 and name   HA )  ( resid   30 and name   HN )    3.00   1.20   0.50 
assign ( resid   30 and name   HN )  ( resid   30 and name  HB* )    3.00   1.20   0.50 
assign ( resid   30 and name   HA )  ( resid   31 and name   HN )    3.00   1.20   0.50 
assign ( resid   31 and name   HN )  ( resid   31 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   31 and name   HN )  ( resid   31 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   30 and name  HB* )  ( resid   31 and name   HN )    4.00   2.20   1.00 
assign ( resid   31 and name   HA )  ( resid   32 and name   HN )    3.00   1.20   0.50 
assign ( resid   32 and name   HN )  ( resid   32 and name  HB* )    3.00   1.20   0.50 
assign ( resid   32 and name   HA )  ( resid   33 and name   HN )    3.00   1.20   0.50 
assign ( resid   32 and name  HB* )  ( resid   33 and name   HN )    4.00   2.20   1.00 
assign ( resid   19 and name   HN )  ( resid   20 and name   HN )    3.00   1.20   0.50 
assign ( resid   20 and name   HN )  ( resid   20 and name   HA )    3.00   1.20   0.50 
assign ( resid   20 and name   HN )  ( resid   20 and name  HB* )    2.00   0.20   0.70 
assign ( resid   20 and name   HN )  ( resid   20 and name  HG1 )    3.00   1.20   0.50 
assign ( resid   19 and name  HB1 )  ( resid   20 and name   HN )    3.00   1.20   0.50 
assign ( resid   17 and name   HA )  ( resid   20 and name   HN )    4.00   2.20   1.00 
assign ( resid   34 and name   HA )  ( resid   35 and name   HN )    2.00   0.20   0.70 
assign ( resid   35 and name   HN )  ( resid   35 and name  HB1 )    2.00   0.20   0.70 
assign ( resid   35 and name   HN )  ( resid   35 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   34 and name  HG* )  ( resid   35 and name   HN )    3.00   1.20   0.50 
assign ( resid   37 and name   HN )  ( resid   37 and name   HB )    3.00   1.20   0.50 
assign ( resid   37 and name   HN )  ( resid   38 and name   HN )    3.00   1.20   0.50 
assign ( resid   37 and name   HB )  ( resid   38 and name   HN )    3.00   1.20   0.50 
assign ( resid   39 and name   HN )  ( resid   39 and name  HA1 )    2.00   0.20   0.70 
assign ( resid   35 and name  HB1 )  ( resid   40 and name   HN )    3.00   1.20   0.50 
assign ( resid   40 and name   HN )  ( resid   40 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   40 and name   HN )  ( resid   40 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   41 and name   HN )  ( resid   41 and name  HB* )    3.00   1.20   0.50 
assign ( resid   41 and name   HA )  ( resid   42 and name   HN )    2.00   0.20   0.70 
assign ( resid   41 and name  HB* )  ( resid   42 and name   HN )    4.00   2.20   1.00 
assign ( resid   43 and name  HD2 )  ( resid   44 and name   HN )    3.00   1.20   0.50 
assign ( resid   42 and name  HB1 )  ( resid   44 and name   HN )    3.00   1.20   0.50 
assign ( resid   43 and name  HG2 )  ( resid   44 and name   HN )    3.00   1.20   0.50 
assign ( resid   45 and name   HN )  ( resid   45 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   45 and name   HN )  ( resid   45 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   44 and name  HB2 )  ( resid   45 and name   HN )    3.00   1.20   0.50 
assign ( resid   44 and name   HA )  ( resid   45 and name   HN )    2.00   0.20   0.70 
assign ( resid   46 and name   HN )  ( resid   47 and name   HN )    3.00   1.20   0.50 
assign ( resid   46 and name   HN )  ( resid   46 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   47 and name   HN )  ( resid   47 and name   HB )    4.00   2.20   1.00 
assign ( resid   46 and name  HB1 )  ( resid   47 and name   HN )    3.00   1.20   0.50 
assign ( resid   47 and name   HN )  ( resid   47 and name HG2* )    3.00   1.20   0.50 
assign ( resid   45 and name   HA )  ( resid   48 and name   HN )    3.00   1.20   0.50 
assign ( resid   48 and name   HN )  ( resid   48 and name  HB1 )    2.00   0.20   0.70 
assign ( resid   48 and name   HN )  ( resid   48 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   48 and name   HN )  ( resid   48 and name HD2* )    4.00   2.20   1.00 
assign ( resid   49 and name   HN )  ( resid   50 and name   HN )    3.00   1.20   0.50 
assign ( resid   48 and name   HN )  ( resid   49 and name   HN )    3.00   1.20   0.50 
assign ( resid   49 and name   HN )  ( resid   49 and name   HB )    2.00   0.20   0.70 
assign ( resid   49 and name   HN )  ( resid   49 and name   HA )    3.00   1.20   0.50 
assign ( resid   46 and name   HA )  ( resid   49 and name   HN )    4.00   2.20   1.00 
assign ( resid   47 and name   HA )  ( resid   49 and name   HN )    4.00   2.20   1.00 
assign ( resid   48 and name  HB1 )  ( resid   49 and name   HN )    3.00   1.20   0.50 
assign ( resid   49 and name   HN )  ( resid   49 and name HG2* )    4.00   2.20   1.00 
assign ( resid   47 and name   HA )  ( resid   50 and name   HN )    3.00   1.20   0.50 
assign ( resid   50 and name   HN )  ( resid   50 and name  HG2 )    3.00   1.20   0.50 
assign ( resid   50 and name   HN )  ( resid   50 and name  HB* )    2.00   0.20   0.70 
assign ( resid   50 and name   HN )  ( resid   51 and name   HN )    3.00   1.20   0.50 
assign ( resid   51 and name   HN )  ( resid   52 and name   HN )    3.00   1.20   0.50 
assign ( resid   51 and name   HN )  ( resid   51 and name  HB1 )    2.00   0.20   0.70 
assign ( resid   51 and name   HN )  ( resid   51 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   50 and name  HB* )  ( resid   51 and name   HN )    3.00   1.20   0.50 
assign ( resid   48 and name   HA )  ( resid   51 and name   HN )    3.00   1.20   0.50 
assign ( resid   52 and name   HN )  ( resid   52 and name   HA )    3.00   1.20   0.50 
assign ( resid   51 and name  HB1 )  ( resid   52 and name   HN )    3.00   1.20   0.50 
assign ( resid   52 and name   HN )  ( resid   52 and name  HB* )    2.00   0.20   0.70 
assign ( resid   53 and name   HN )  ( resid   53 and name   HB )    3.00   1.20   0.50 
assign ( resid   52 and name  HB* )  ( resid   53 and name   HN )    3.00   1.20   0.50 
assign ( resid   53 and name   HN )  ( resid   53 and name HG2* )    2.00   0.20   0.70 
assign ( resid   52 and name   HN )  ( resid   53 and name   HN )    3.00   1.20   0.50 
assign ( resid   53 and name   HN )  ( resid   54 and name   HN )    2.00   0.20   0.70 
assign ( resid   54 and name   HN )  ( resid   54 and name HG2* )    3.00   1.20   0.50 
assign ( resid   54 and name   HN )  ( resid   55 and name   HN )    3.00   1.20   0.50 
assign ( resid   55 and name   HN )  ( resid   55 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   55 and name   HN )  ( resid   55 and name  HB2 )    3.00   1.20   0.50 
assign ( resid    8 and name   HN )  ( resid    9 and name   HN )    3.00   1.20   0.50 
assign ( resid    6 and name   HN )  ( resid    6 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   24 and name   HN )  ( resid   25 and name   HN )    3.00   1.20   0.50 
assign ( resid   35 and name   HN )  ( resid   40 and name   HN )    3.00   1.20   0.50 
assign ( resid   18 and name   HN )  ( resid   18 and name  HA1 )    2.00   0.20   0.70 
assign ( resid   53 and name   HN )  ( resid   53 and name   HA )    3.00   1.20   0.50 
assign ( resid   42 and name  HB1 )  ( resid   48 and name   HN )    4.00   2.20   1.00 
assign ( resid   42 and name  HB2 )  ( resid   44 and name   HN )    3.00   1.20   0.50 
assign ( resid   22 and name   HN )  ( resid   22 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   42 and name   HN )  ( resid   42 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   18 and name  HA1 )  ( resid   19 and name   HN )    3.00   1.20   0.50 
assign ( resid   49 and name HG2* )  ( resid   50 and name   HN )    3.00   1.20   0.50 
assign ( resid   48 and name  HB2 )  ( resid   49 and name   HN )    4.00   2.20   1.00 
assign ( resid    8 and name   HN )  ( resid   10 and name   HN )    4.00   2.20   1.00 
assign ( resid    3 and name   HN )  ( resid    4 and name   HN )    3.00   1.20   0.50 
assign ( resid   26 and name   HN )  ( resid   27 and name   HN )    3.00   1.20   0.50 
assign ( resid   43 and name  HB* )  ( resid   44 and name   HN )    3.00   1.20   0.50 
assign ( resid   52 and name   HA )  ( resid   54 and name   HN )    4.00   2.20   1.00 
assign ( resid   53 and name HG2* )  ( resid   54 and name   HN )    3.00   1.20   0.50 
assign ( resid   51 and name  HB2 )  ( resid   52 and name   HN )    4.00   2.20   1.00 
assign ( resid   26 and name   HN )  ( resid   26 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   50 and name   HN )  ( resid   50 and name  HG1 )    3.00   1.20   0.50 
assign ( resid   40 and name   HN )  ( resid   40 and name  HG1 )    3.00   1.20   0.50 
assign ( resid   23 and name   HA )  ( resid   25 and name   HN )    4.00   2.20   1.00 
assign ( resid   48 and name   HA )  ( resid   49 and name   HN )    4.00   2.20   1.00 
assign ( resid   19 and name   HA )  ( resid   20 and name   HN )    4.00   2.20   1.00 
assign ( resid   35 and name  HB2 )  ( resid   40 and name   HN )    3.00   1.20   0.50 
assign ( resid   12 and name   HA )  ( resid   12 and name HG2* )    3.00   1.20   0.50 
assign ( resid   35 and name  HB2 )  ( resid   48 and name HD2* )    3.00   1.20   0.50 
assign ( resid   35 and name   HA )  ( resid   48 and name HD2* )    3.00   1.20   0.50 
assign ( resid   23 and name   HA )  ( resid   23 and name   HG )    2.00   0.20   0.70 
assign ( resid   21 and name   HA )  ( resid   21 and name  HB2 )    2.00   0.20   0.70 
assign ( resid    5 and name  HB1 )  ( resid    5 and name  HG* )    3.00   1.20   0.50 
assign ( resid   41 and name  HB* )  ( resid   41 and name  HD* )    2.00   0.20   0.70 
assign ( resid   35 and name   HA )  ( resid   36 and name  HD1 )    2.00   0.20   0.70 
assign ( resid   35 and name   HA )  ( resid   36 and name  HD2 )    2.00   0.20   0.70 
assign ( resid   19 and name   HA )  ( resid   22 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   45 and name   HA )  ( resid   45 and name   HG )    3.00   1.20   0.50 
assign ( resid   17 and name   HA )  ( resid   20 and name  HB* )    2.00   0.20   0.70 
assign ( resid   11 and name   HA )  ( resid   11 and name  HB* )    2.00   0.20   0.70 
assign ( resid    3 and name   HA )  ( resid    3 and name  HB* )    2.00   0.20   0.70 
assign ( resid   50 and name   HA )  ( resid   50 and name  HB* )    2.00   0.20   0.70 
assign ( resid   20 and name   HA )  ( resid   23 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   52 and name   HA )  ( resid   52 and name  HB* )    3.00   1.20   0.50 
assign ( resid   47 and name   HA )  ( resid   50 and name  HB* )    3.00   1.20   0.50 
assign ( resid   16 and name  HB* )  ( resid   16 and name  HG* )    3.00   1.20   0.50 
assign ( resid   38 and name   HA )  ( resid   38 and name  HB2 )    2.00   0.20   0.70 
assign ( resid   38 and name   HA )  ( resid   38 and name  HB1 )    2.00   0.20   0.70 
assign ( resid   16 and name   HA )  ( resid   16 and name  HB* )    2.00   0.20   0.70 
assign ( resid   18 and name  HA2 )  ( resid   21 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   18 and name  HA2 )  ( resid   21 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   20 and name   HA )  ( resid   23 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   37 and name   HA )  ( resid   37 and name HG11 )    3.00   1.20   0.50 
assign ( resid   45 and name   HA )  ( resid   48 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   48 and name   HA )  ( resid   48 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   48 and name   HA )  ( resid   51 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   49 and name   HA )  ( resid   49 and name HG2* )    3.00   1.20   0.50 
assign ( resid   54 and name   HA )  ( resid   54 and name HG2* )    2.00   0.20   0.70 
assign ( resid    4 and name  HB1 )  ( resid   19 and name HD1* )    3.00   1.20   0.50 
assign ( resid   37 and name HG2* )  ( resid   37 and name HG11 )    3.00   1.20   0.50 
assign ( resid   37 and name HG2* )  ( resid   37 and name HG12 )    3.00   1.20   0.50 
assign ( resid   24 and name   HN )  ( resid   24 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   35 and name   HA )  ( resid   35 and name  HB2 )    3.00   1.20   0.50 
assign ( resid    5 and name  HB2 )  ( resid    5 and name  HG* )    3.00   1.20   0.50 
assign ( resid   37 and name   HB )  ( resid   37 and name HD1* )    3.00   1.20   0.50 
assign ( resid    4 and name  HB1 )  ( resid   19 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   13 and name  HB2 )  ( resid   19 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   19 and name  HB2 )  ( resid   19 and name HD2* )    2.00   0.20   0.70 
assign ( resid   48 and name  HB1 )  ( resid   48 and name HD1* )    3.00   1.20   0.50 
assign ( resid   48 and name  HB2 )  ( resid   48 and name HD2* )    3.00   1.20   0.50 
assign ( resid   42 and name  HB1 )  ( resid   43 and name  HD2 )    3.00   1.20   0.50 
assign ( resid   48 and name  HB1 )  ( resid   48 and name HD2* )    4.00   2.20   1.00 
assign ( resid   48 and name HD2* )  ( resid   52 and name  HB* )    4.00   2.20   1.00 
assign ( resid    9 and name  HB1 )  ( resid   10 and name   HN )    3.00   1.20   0.50 
assign ( resid   37 and name HD1* )  ( resid   55 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   21 and name   HA )  ( resid   21 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   37 and name HG2* )  ( resid   38 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   19 and name  HB2 )  ( resid   20 and name   HN )    3.00   1.20   0.50 
assign ( resid   42 and name  HB2 )  ( resid   48 and name  HB2 )    4.00   2.20   1.00 
assign ( resid    5 and name  HD* )  ( resid    5 and name  HE* )    2.00   0.20   0.70 
assign ( resid   19 and name   HA )  ( resid   19 and name   HG )    4.00   2.20   1.00 
assign ( resid   19 and name HD1* )  ( resid   20 and name   HA )    3.00   1.20   0.50 
assign ( resid   53 and name   HA )  ( resid   53 and name   HB )    2.00   0.20   0.70 
assign ( resid   37 and name   HA )  ( resid   37 and name HG12 )    3.00   1.20   0.50 
assign ( resid   12 and name   HA )  ( resid   12 and name   HB )    3.00   1.20   0.50 
assign ( resid   53 and name   HA )  ( resid   53 and name HG1* )    2.00   0.20   0.70 
assign ( resid    4 and name   HA )  ( resid    4 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   37 and name   HN )  ( resid   37 and name HG12 )    3.00   1.20   0.50 
assign ( resid   37 and name   HN )  ( resid   37 and name HG2* )    3.00   1.20   0.50 
assign ( resid   37 and name   HN )  ( resid   37 and name HG11 )    3.00   1.20   0.50 
assign ( resid   34 and name   HA )  ( resid   34 and name  HG* )    3.00   1.20   0.50 
assign ( resid   42 and name  HB2 )  ( resid   43 and name  HD2 )    4.00   2.20   1.00 
assign ( resid   21 and name   HA )  ( resid   21 and name  HG1 )    4.00   2.20   1.00 
assign ( resid   50 and name   HA )  ( resid   50 and name  HG1 )    4.00   2.20   1.00 
assign ( resid    5 and name   HA )  ( resid    5 and name  HG* )    3.00   1.20   0.50 
assign ( resid    6 and name   HA )  ( resid   19 and name HD2* )    3.00   1.20   0.50 
assign ( resid    8 and name   HA )  ( resid    8 and name HG1* )    2.00   0.20   0.70 
assign ( resid    8 and name   HA )  ( resid    8 and name HG2* )    2.00   0.20   0.70 
assign ( resid    8 and name   HN )  ( resid    8 and name HG2* )    3.00   1.20   0.50 
assign ( resid   12 and name   HN )  ( resid   12 and name HG2* )    3.00   1.20   0.50 
assign ( resid   12 and name HG2* )  ( resid   13 and name   HN )    3.00   1.20   0.50 
assign ( resid   13 and name  HB2 )  ( resid   19 and name   HN )    3.00   1.20   0.50 
assign ( resid   13 and name  HB1 )  ( resid   19 and name   HN )    3.00   1.20   0.50 
assign ( resid   17 and name   HA )  ( resid   17 and name  HB* )    2.00   0.20   0.70 
assign ( resid   19 and name   HA )  ( resid   19 and name HD2* )    2.00   0.20   0.70 
assign ( resid    6 and name  HB2 )  ( resid   19 and name HD2* )    3.00   1.20   0.50 
assign ( resid   21 and name   HN )  ( resid   21 and name   HA )    2.00   0.20   0.70 
assign ( resid   21 and name   HN )  ( resid   21 and name  HB2 )    2.00   0.20   0.70 
assign ( resid   22 and name   HA )  ( resid   22 and name  HB2 )    2.00   0.20   0.70 
assign ( resid   22 and name   HA )  ( resid   22 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   22 and name  HB2 )  ( resid   23 and name   HN )    4.00   2.20   1.00 
assign ( resid   24 and name   HN )  ( resid   24 and name  HG2 )    3.00   1.20   0.50 
assign ( resid   24 and name   HN )  ( resid   24 and name  HG1 )    3.00   1.20   0.50 
assign ( resid   28 and name  HA2 )  ( resid   29 and name  HD* )    2.00   0.20   0.70 
assign ( resid   28 and name  HA1 )  ( resid   29 and name  HD* )    2.00   0.20   0.70 
assign ( resid   33 and name   HA )  ( resid   34 and name   HN )    2.00   0.20   0.70 
assign ( resid   33 and name   HN )  ( resid   33 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   33 and name   HN )  ( resid   33 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   35 and name  HB1 )  ( resid   39 and name   HN )    3.00   1.20   0.50 
assign ( resid   35 and name  HB2 )  ( resid   39 and name   HN )    3.00   1.20   0.50 
assign ( resid   37 and name   HA )  ( resid   37 and name HG2* )    2.00   0.20   0.70 
assign ( resid   37 and name HG2* )  ( resid   38 and name   HN )    3.00   1.20   0.50 
assign ( resid   38 and name   HN )  ( resid   38 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   38 and name   HN )  ( resid   38 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   39 and name   HN )  ( resid   39 and name  HA2 )    3.00   1.20   0.50 
assign ( resid   40 and name   HA )  ( resid   41 and name   HN )    2.00   0.20   0.70 
assign ( resid   42 and name   HA )  ( resid   43 and name  HD1 )    3.00   1.20   0.50 
assign ( resid   46 and name   HN )  ( resid   46 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   46 and name  HB2 )  ( resid   47 and name   HN )    3.00   1.20   0.50 
assign ( resid   47 and name   HA )  ( resid   47 and name HG2* )    2.00   0.20   0.70 
assign ( resid   48 and name   HA )  ( resid   48 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   48 and name   HA )  ( resid   48 and name HD2* )    3.00   1.20   0.50 
assign ( resid   49 and name   HB )  ( resid   50 and name   HN )    3.00   1.20   0.50 
assign ( resid   54 and name   HA )  ( resid   55 and name   HN )    3.00   1.20   0.50 
assign ( resid   53 and name   HA )  ( resid   53 and name HG2* )    3.00   1.20   0.50 
assign ( resid   53 and name   HN )  ( resid   53 and name HG1* )    3.00   1.20   0.50 
assign ( resid    5 and name  HG* )  ( resid    5 and name  HE* )    3.00   1.20   0.50 
assign ( resid    4 and name   HA )  ( resid   19 and name HD1* )    4.00   2.20   1.00 
assign ( resid   43 and name  HG2 )  ( resid   47 and name HG2* )    3.00   1.20   0.50 
assign ( resid   20 and name   HN )  ( resid   20 and name  HG2 )    3.00   1.20   0.50 
assign ( resid   19 and name HD2* )  ( resid   22 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   48 and name HD2* )  ( resid   51 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   11 and name   HA )  ( resid   11 and name  HG* )    3.00   1.20   0.50 
assign ( resid    6 and name  HB2 )  ( resid   11 and name   HN )    4.00   2.20   1.00 
assign ( resid    6 and name   HA )  ( resid    6 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   11 and name  HB* )  ( resid   11 and name  HD1 )    4.00   2.20   1.00 
assign ( resid   11 and name  HB* )  ( resid   11 and name  HD2 )    4.00   2.20   1.00 
assign ( resid   48 and name HD1* )  ( resid   52 and name  HB* )    3.00   1.20   0.50 
assign ( resid   24 and name   HA )  ( resid   24 and name  HG2 )    3.00   1.20   0.50 
assign ( resid   24 and name   HA )  ( resid   24 and name  HG1 )    3.00   1.20   0.50 
assign ( resid   21 and name   HA )  ( resid   21 and name  HG2 )    4.00   2.20   1.00 
assign ( resid   50 and name   HA )  ( resid   50 and name  HG2 )    4.00   2.20   1.00 
assign ( resid   53 and name   HA )  ( resid   54 and name   HN )    4.00   2.20   1.00 
assign ( resid   44 and name  HB1 )  ( resid   45 and name   HN )    3.00   1.20   0.50 
assign ( resid   37 and name HD1* )  ( resid   55 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   37 and name   HA )  ( resid   37 and name HD1* )    4.00   2.20   1.00 
assign ( resid   37 and name   HN )  ( resid   37 and name HD1* )    3.00   1.20   0.50 
assign ( resid    8 and name HG2* )  ( resid    9 and name   HN )    3.00   1.20   0.50 
assign ( resid    8 and name HG1* )  ( resid    9 and name   HN )    3.00   1.20   0.50 
assign ( resid   19 and name HD1* )  ( resid   20 and name   HN )    4.00   2.20   1.00 
assign ( resid   40 and name   HN )  ( resid   40 and name  HG2 )    3.00   1.20   0.50 
assign ( resid   45 and name   HA )  ( resid   46 and name   HN )    3.00   1.20   0.50 
assign ( resid   47 and name   HA )  ( resid   47 and name   HB )    3.00   1.20   0.50 
assign ( resid   25 and name   HA )  ( resid   25 and name HG2* )    2.00   0.20   0.70 
assign ( resid   16 and name   HA )  ( resid   19 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   33 and name  HB2 )  ( resid   48 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   33 and name  HB1 )  ( resid   48 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   33 and name  HB2 )  ( resid   48 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   33 and name  HB1 )  ( resid   48 and name  HB1 )    4.00   2.20   1.00 
assign ( resid    9 and name   HA )  ( resid    9 and name  HB2 )    3.00   1.20   0.50 
assign ( resid    9 and name   HA )  ( resid    9 and name  HB1 )    3.00   1.20   0.50 
assign ( resid    6 and name   HA )  ( resid    6 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   21 and name   HN )  ( resid   21 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   35 and name  HB2 )  ( resid   39 and name  HA2 )    3.00   1.20   0.50 
assign ( resid   35 and name  HB1 )  ( resid   39 and name  HA2 )    4.00   2.20   1.00 
assign ( resid   42 and name  HB2 )  ( resid   48 and name HD2* )    4.00   2.20   1.00 
assign ( resid   42 and name  HB1 )  ( resid   48 and name HD2* )    4.00   2.20   1.00 
assign ( resid   35 and name   HA )  ( resid   48 and name HD1* )    4.00   2.20   1.00 
assign ( resid   35 and name  HB1 )  ( resid   48 and name HD2* )    3.00   1.20   0.50 
assign ( resid   13 and name  HB1 )  ( resid   19 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   13 and name  HB1 )  ( resid   19 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   13 and name  HB2 )  ( resid   19 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   17 and name  HB* )  ( resid   18 and name  HA2 )    4.00   2.20   1.00 
assign ( resid    6 and name  HB1 )  ( resid   19 and name HD2* )    3.00   1.20   0.50 
assign ( resid   37 and name HG2* )  ( resid   37 and name HD1* )    4.00   2.20   1.00 
assign ( resid   35 and name   HN )  ( resid   48 and name HD2* )    3.00   1.20   0.50 
assign ( resid   43 and name  HG1 )  ( resid   47 and name HG2* )    3.00   1.20   0.50 
assign ( resid   48 and name HD2* )  ( resid   51 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   19 and name HD2* )  ( resid   22 and name  HB2 )    4.00   2.20   1.00 
assign ( resid    8 and name HG2* )  ( resid   26 and name  HB1 )    4.00   2.20   1.00 
assign ( resid    8 and name HG2* )  ( resid   26 and name  HB2 )    4.00   2.20   1.00 
assign ( resid    8 and name HG1* )  ( resid   26 and name  HB2 )    4.00   2.20   1.00 
assign ( resid    8 and name HG1* )  ( resid   26 and name  HB1 )    4.00   2.20   1.00 
assign ( resid   20 and name  HB* )  ( resid   20 and name  HD* )    3.00   1.20   0.50 
assign ( resid   34 and name   HN )  ( resid   34 and name  HG* )    4.00   2.20   1.00 
assign ( resid   42 and name  HB1 )  ( resid   48 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   41 and name   HN )  ( resid   41 and name  HD* )    4.00   2.20   1.00 
assign ( resid   17 and name   HA )  ( resid   21 and name   HN )    4.00   2.20   1.00 
assign ( resid   48 and name   HA )  ( resid   51 and name  HB2 )    4.00   2.20   1.00 
assign ( resid   16 and name   HA )  ( resid   19 and name   HN )    4.00   2.20   1.00 
assign ( resid   20 and name   HA )  ( resid   20 and name  HD* )    3.00   1.20   0.50 
assign ( resid    5 and name  HG* )  ( resid   10 and name   HA )    3.00   1.20   0.50 
assign ( resid   25 and name   HN )  ( resid   25 and name   HB )    3.00   1.20   0.50 
assign ( resid   12 and name   HN )  ( resid   12 and name   HB )    3.00   1.20   0.50 
assign ( resid    2 and name  HA* )  ( resid    3 and name   HN )    3.00   1.20   0.50 
assign ( resid    5 and name  HG* )  ( resid   10 and name  HB* )    4.00   2.20   1.00 
assign ( resid    7 and name   HN )  ( resid    7 and name  HB* )    4.00   2.20   1.00 
assign ( resid    7 and name   HA )  ( resid    7 and name  HB* )    2.00   0.20   0.70 
assign ( resid    8 and name HG1* )  ( resid    9 and name  HB* )    4.00   2.20   1.00 
assign ( resid    9 and name   HN )  ( resid    9 and name  HB* )    4.00   2.20   1.00 
assign ( resid   10 and name   HN )  ( resid   10 and name  HB* )    3.00   1.20   0.50 
assign ( resid   10 and name   HA )  ( resid   10 and name  HB* )    2.00   0.20   0.70 
assign ( resid   11 and name   HN )  ( resid   11 and name  HD* )    4.00   2.20   1.00 
assign ( resid   11 and name   HA )  ( resid   11 and name  HD* )    4.00   2.20   1.00 
assign ( resid   11 and name  HB* )  ( resid   11 and name  HD* )    3.00   1.20   0.50 
assign ( resid   13 and name   HN )  ( resid   13 and name  HB* )    3.00   1.20   0.50 
assign ( resid   13 and name  HB* )  ( resid   15 and name   HN )    3.00   1.20   0.50 
assign ( resid   13 and name  HB* )  ( resid   18 and name  HA1 )    4.00   2.20   1.00 
assign ( resid   13 and name  HB* )  ( resid   19 and name   HA )    3.00   1.20   0.50 
assign ( resid   13 and name  HB* )  ( resid   19 and name  HB2 )    3.00   1.20   0.50 
assign ( resid   13 and name  HB* )  ( resid   19 and name  HB1 )    3.00   1.20   0.50 
assign ( resid   13 and name  HB* )  ( resid   19 and name HD2* )    3.00   1.20   0.50 
assign ( resid   15 and name   HN )  ( resid   15 and name  HB* )    3.00   1.20   0.50 
assign ( resid   15 and name  HB* )  ( resid   16 and name   HN )    3.00   1.20   0.50 
assign ( resid   20 and name   HN )  ( resid   20 and name  HG* )    3.00   1.20   0.50 
assign ( resid   20 and name   HA )  ( resid   23 and name  HB* )    2.00   0.20   0.70 
assign ( resid   20 and name  HG* )  ( resid   20 and name  HD* )    2.00   0.20   0.70 
assign ( resid   21 and name   HN )  ( resid   21 and name  HG* )    4.00   2.20   1.00 
assign ( resid   21 and name  HB2 )  ( resid   21 and name  HG* )    2.00   0.20   0.70 
assign ( resid   23 and name   HN )  ( resid   23 and name  HB* )    2.00   0.20   0.70 
assign ( resid   24 and name   HN )  ( resid   24 and name  HB* )    2.00   0.20   0.70 
assign ( resid   24 and name   HA )  ( resid   24 and name  HG* )    3.00   1.20   0.50 
assign ( resid   24 and name  HB* )  ( resid   25 and name   HN )    4.00   2.20   1.00 
assign ( resid   27 and name   HN )  ( resid   27 and name  HB* )    3.00   1.20   0.50 
assign ( resid   27 and name   HA )  ( resid   27 and name  HB* )    2.00   0.20   0.70 
assign ( resid   31 and name   HN )  ( resid   31 and name  HB* )    3.00   1.20   0.50 
assign ( resid   31 and name   HA )  ( resid   31 and name  HG* )    3.00   1.20   0.50 
assign ( resid   33 and name  HB* )  ( resid   45 and name   HA )    3.00   1.20   0.50 
assign ( resid   33 and name  HB* )  ( resid   48 and name   HG )    3.00   1.20   0.50 
assign ( resid   33 and name  HB* )  ( resid   48 and name HD1* )    3.00   1.20   0.50 
assign ( resid   37 and name HG2* )  ( resid   37 and name HG1* )    3.00   1.20   0.50 
assign ( resid   37 and name HD1* )  ( resid   55 and name  HB* )    3.00   1.20   0.50 
assign ( resid   40 and name   HN )  ( resid   40 and name  HB* )    2.00   0.20   0.70 
assign ( resid   40 and name   HA )  ( resid   40 and name  HG* )    3.00   1.20   0.50 
assign ( resid   44 and name  HB* )  ( resid   45 and name   HN )    2.00   0.20   0.70 
assign ( resid   45 and name   HA )  ( resid   45 and name  HB* )    2.00   0.20   0.70 
assign ( resid   45 and name   HA )  ( resid   45 and name  HD* )    3.00   1.20   0.50 
assign ( resid   45 and name  HB* )  ( resid   45 and name  HD* )    2.00   0.20   0.70 
assign ( resid   46 and name   HN )  ( resid   46 and name  HB* )    3.00   1.20   0.50 
assign ( resid   46 and name   HA )  ( resid   46 and name  HB* )    2.00   0.20   0.70 
assign ( resid   46 and name   HA )  ( resid   46 and name  HD* )    3.00   1.20   0.50 
assign ( resid   46 and name  HB* )  ( resid   46 and name  HD* )    2.00   0.20   0.70 
assign ( resid   46 and name  HB* )  ( resid   47 and name   HN )    3.00   1.20   0.50 
assign ( resid   47 and name   HA )  ( resid   50 and name  HG* )    4.00   2.20   1.00 
assign ( resid   50 and name   HN )  ( resid   50 and name  HG* )    3.00   1.20   0.50 
assign ( resid   50 and name   HA )  ( resid   50 and name  HG* )    3.00   1.20   0.50 
assign ( resid   52 and name  HB* )  ( resid   52 and name  HE* )    3.00   1.20   0.50 
assign ( resid   52 and name  HG* )  ( resid   52 and name  HE* )    3.00   1.20   0.50 
assign ( resid   55 and name   HN )  ( resid   55 and name  HB* )    2.00   0.20   0.70 
assign ( resid    2 and name C    )   ( resid    3 and name N    ) 
       ( resid    3 and name CA   )   ( resid    3 and name C    )  1   -96.8    56.8 2  
assign ( resid    3 and name C    )   ( resid    4 and name N    ) 
       ( resid    4 and name CA   )   ( resid    4 and name C    )  1  -104.0    45.5 2  
assign ( resid    4 and name C    )   ( resid    5 and name N    ) 
       ( resid    5 and name CA   )   ( resid    5 and name C    )  1  -116.3    26.0 2  
assign ( resid    7 and name C    )   ( resid    8 and name N    ) 
       ( resid    8 and name CA   )   ( resid    8 and name C    )  1   -92.2    35.6 2  
assign ( resid   10 and name C    )   ( resid   11 and name N    ) 
       ( resid   11 and name CA   )   ( resid   11 and name C    )  1   -87.6    27.2 2  
assign ( resid   11 and name C    )   ( resid   12 and name N    ) 
       ( resid   12 and name CA   )   ( resid   12 and name C    )  1  -130.4    60.2 2  
assign ( resid   12 and name C    )   ( resid   13 and name N    ) 
       ( resid   13 and name CA   )   ( resid   13 and name C    )  1  -124.1    39.9 2  
assign ( resid   14 and name C    )   ( resid   15 and name N    ) 
       ( resid   15 and name CA   )   ( resid   15 and name C    )  1  -134.9    51.7 2  
assign ( resid   15 and name C    )   ( resid   16 and name N    ) 
       ( resid   16 and name CA   )   ( resid   16 and name C    )  1   -67.5    19.7 2  
assign ( resid   16 and name C    )   ( resid   17 and name N    ) 
       ( resid   17 and name CA   )   ( resid   17 and name C    )  1   -63.8     8.5 2  
assign ( resid   17 and name C    )   ( resid   18 and name N    ) 
       ( resid   18 and name CA   )   ( resid   18 and name C    )  1   -68.5    17.5 2  
assign ( resid   18 and name C    )   ( resid   19 and name N    ) 
       ( resid   19 and name CA   )   ( resid   19 and name C    )  1   -65.4     8.1 2  
assign ( resid   19 and name C    )   ( resid   20 and name N    ) 
       ( resid   20 and name CA   )   ( resid   20 and name C    )  1   -62.5     9.3 2  
assign ( resid   20 and name C    )   ( resid   21 and name N    ) 
       ( resid   21 and name CA   )   ( resid   21 and name C    )  1   -62.8    12.5 2  
assign ( resid   21 and name C    )   ( resid   22 and name N    ) 
       ( resid   22 and name CA   )   ( resid   22 and name C    )  1   -64.7     7.9 2  
assign ( resid   22 and name C    )   ( resid   23 and name N    ) 
       ( resid   23 and name CA   )   ( resid   23 and name C    )  1   -65.8    22.0 2  
assign ( resid   23 and name C    )   ( resid   24 and name N    ) 
       ( resid   24 and name CA   )   ( resid   24 and name C    )  1   -63.6    14.3 2  
assign ( resid   24 and name C    )   ( resid   25 and name N    ) 
       ( resid   25 and name CA   )   ( resid   25 and name C    )  1   -77.4    38.9 2  
assign ( resid   25 and name C    )   ( resid   26 and name N    ) 
       ( resid   26 and name CA   )   ( resid   26 and name C    )  1  -101.5    46.0 2  
assign ( resid   26 and name C    )   ( resid   27 and name N    ) 
       ( resid   27 and name CA   )   ( resid   27 and name C    )  1   -99.5    44.0 2  
assign ( resid   32 and name C    )   ( resid   33 and name N    ) 
       ( resid   33 and name CA   )   ( resid   33 and name C    )  1  -103.8    37.2 2  
assign ( resid   33 and name C    )   ( resid   34 and name N    ) 
       ( resid   34 and name CA   )   ( resid   34 and name C    )  1  -108.7    21.0 2  
assign ( resid   34 and name C    )   ( resid   35 and name N    ) 
       ( resid   35 and name CA   )   ( resid   35 and name C    )  1   -96.1    52.2 2  
assign ( resid   36 and name C    )   ( resid   37 and name N    ) 
       ( resid   37 and name CA   )   ( resid   37 and name C    )  1   -69.3    29.7 2  
assign ( resid   37 and name C    )   ( resid   38 and name N    ) 
       ( resid   38 and name CA   )   ( resid   38 and name C    )  1  -107.5    29.0 2  
assign ( resid   39 and name C    )   ( resid   40 and name N    ) 
       ( resid   40 and name CA   )   ( resid   40 and name C    )  1   -94.0    45.4 2  
assign ( resid   40 and name C    )   ( resid   41 and name N    ) 
       ( resid   41 and name CA   )   ( resid   41 and name C    )  1  -116.6    46.9 2  
assign ( resid   41 and name C    )   ( resid   42 and name N    ) 
       ( resid   42 and name CA   )   ( resid   42 and name C    )  1  -118.2    57.9 2  
assign ( resid   43 and name C    )   ( resid   44 and name N    ) 
       ( resid   44 and name CA   )   ( resid   44 and name C    )  1  -114.0    53.0 2  
assign ( resid   46 and name C    )   ( resid   47 and name N    ) 
       ( resid   47 and name CA   )   ( resid   47 and name C    )  1   -66.3    15.3 2  
assign ( resid   47 and name C    )   ( resid   48 and name N    ) 
       ( resid   48 and name CA   )   ( resid   48 and name C    )  1   -65.3     8.0 2  
assign ( resid   48 and name C    )   ( resid   49 and name N    ) 
       ( resid   49 and name CA   )   ( resid   49 and name C    )  1   -64.8    11.8 2  
assign ( resid   49 and name C    )   ( resid   50 and name N    ) 
       ( resid   50 and name CA   )   ( resid   50 and name C    )  1   -61.6    10.1 2  
assign ( resid   50 and name C    )   ( resid   51 and name N    ) 
       ( resid   51 and name CA   )   ( resid   51 and name C    )  1   -64.3    12.6 2  
assign ( resid   51 and name C    )   ( resid   52 and name N    ) 
       ( resid   52 and name CA   )   ( resid   52 and name C    )  1   -62.3     7.8 2  
assign ( resid   52 and name C    )   ( resid   53 and name N    ) 
       ( resid   53 and name CA   )   ( resid   53 and name C    )  1   -63.3    14.1 2  
assign ( resid   53 and name C    )   ( resid   54 and name N    ) 
       ( resid   54 and name CA   )   ( resid   54 and name C    )  1   -93.5    26.9 2  
assign ( resid    3 and name N    )   ( resid    3 and name CA    ) 
       ( resid    3 and name C    )   ( resid    4 and name N    )  1   131.9    25.0 2  
assign ( resid    4 and name N    )   ( resid    4 and name CA    ) 
       ( resid    4 and name C    )   ( resid    5 and name N    )  1   123.6    51.4 2  
assign ( resid    5 and name N    )   ( resid    5 and name CA    ) 
       ( resid    5 and name C    )   ( resid    6 and name N    )  1   126.8    24.8 2  
assign ( resid    8 and name N    )   ( resid    8 and name CA    ) 
       ( resid    8 and name C    )   ( resid    9 and name N    )  1   -35.6    20.2 2  
assign ( resid   12 and name N    )   ( resid   12 and name CA    ) 
       ( resid   12 and name C    )   ( resid   13 and name N    )  1   153.3    38.6 2  
assign ( resid   13 and name N    )   ( resid   13 and name CA    ) 
       ( resid   13 and name C    )   ( resid   14 and name N    )  1   160.2    22.9 2  
assign ( resid   15 and name N    )   ( resid   15 and name CA    ) 
       ( resid   15 and name C    )   ( resid   16 and name N    )  1   160.8    23.4 2  
assign ( resid   16 and name N    )   ( resid   16 and name CA    ) 
       ( resid   16 and name C    )   ( resid   17 and name N    )  1   -35.0    17.6 2  
assign ( resid   17 and name N    )   ( resid   17 and name CA    ) 
       ( resid   17 and name C    )   ( resid   18 and name N    )  1   -37.5    19.1 2  
assign ( resid   18 and name N    )   ( resid   18 and name CA    ) 
       ( resid   18 and name C    )   ( resid   19 and name N    )  1   -38.3    12.3 2  
assign ( resid   19 and name N    )   ( resid   19 and name CA    ) 
       ( resid   19 and name C    )   ( resid   20 and name N    )  1   -41.1     7.3 2  
assign ( resid   20 and name N    )   ( resid   20 and name CA    ) 
       ( resid   20 and name C    )   ( resid   21 and name N    )  1   -46.0    19.7 2  
assign ( resid   21 and name N    )   ( resid   21 and name CA    ) 
       ( resid   21 and name C    )   ( resid   22 and name N    )  1   -41.7    15.5 2  
assign ( resid   22 and name N    )   ( resid   22 and name CA    ) 
       ( resid   22 and name C    )   ( resid   23 and name N    )  1   -40.5    11.8 2  
assign ( resid   23 and name N    )   ( resid   23 and name CA    ) 
       ( resid   23 and name C    )   ( resid   24 and name N    )  1   -41.2    21.2 2  
assign ( resid   24 and name N    )   ( resid   24 and name CA    ) 
       ( resid   24 and name C    )   ( resid   25 and name N    )  1   -35.3    20.1 2  
assign ( resid   25 and name N    )   ( resid   25 and name CA    ) 
       ( resid   25 and name C    )   ( resid   26 and name N    )  1   -26.6    41.9 2  
assign ( resid   26 and name N    )   ( resid   26 and name CA    ) 
       ( resid   26 and name C    )   ( resid   27 and name N    )  1     7.3    30.0 2  
assign ( resid   27 and name N    )   ( resid   27 and name CA    ) 
       ( resid   27 and name C    )   ( resid   28 and name N    )  1    -3.6    38.9 2  
assign ( resid   29 and name N    )   ( resid   29 and name CA    ) 
       ( resid   29 and name C    )   ( resid   30 and name N    )  1   142.2    17.9 2  
assign ( resid   33 and name N    )   ( resid   33 and name CA    ) 
       ( resid   33 and name C    )   ( resid   34 and name N    )  1   122.3    32.8 2  
assign ( resid   34 and name N    )   ( resid   34 and name CA    ) 
       ( resid   34 and name C    )   ( resid   35 and name N    )  1   122.6    18.3 2  
assign ( resid   35 and name N    )   ( resid   35 and name CA    ) 
       ( resid   35 and name C    )   ( resid   36 and name N    )  1   115.8    27.7 2  
assign ( resid   37 and name N    )   ( resid   37 and name CA    ) 
       ( resid   37 and name C    )   ( resid   38 and name N    )  1   -19.8    27.9 2  
assign ( resid   38 and name N    )   ( resid   38 and name CA    ) 
       ( resid   38 and name C    )   ( resid   39 and name N    )  1   -11.6    27.0 2  
assign ( resid   40 and name N    )   ( resid   40 and name CA    ) 
       ( resid   40 and name C    )   ( resid   41 and name N    )  1   120.4    55.1 2  
assign ( resid   41 and name N    )   ( resid   41 and name CA    ) 
       ( resid   41 and name C    )   ( resid   42 and name N    )  1   148.9    25.2 2  
assign ( resid   42 and name N    )   ( resid   42 and name CA    ) 
       ( resid   42 and name C    )   ( resid   43 and name N    )  1   119.9    64.7 2  
assign ( resid   44 and name N    )   ( resid   44 and name CA    ) 
       ( resid   44 and name C    )   ( resid   45 and name N    )  1   156.0    21.5 2  
assign ( resid   46 and name N    )   ( resid   46 and name CA    ) 
       ( resid   46 and name C    )   ( resid   47 and name N    )  1   -43.5     8.0 2  
assign ( resid   47 and name N    )   ( resid   47 and name CA    ) 
       ( resid   47 and name C    )   ( resid   48 and name N    )  1   -39.7    13.4 2  
assign ( resid   48 and name N    )   ( resid   48 and name CA    ) 
       ( resid   48 and name C    )   ( resid   49 and name N    )  1   -42.8    13.6 2  
assign ( resid   49 and name N    )   ( resid   49 and name CA    ) 
       ( resid   49 and name C    )   ( resid   50 and name N    )  1   -42.4     9.5 2  
assign ( resid   50 and name N    )   ( resid   50 and name CA    ) 
       ( resid   50 and name C    )   ( resid   51 and name N    )  1   -42.2    14.7 2  
assign ( resid   51 and name N    )   ( resid   51 and name CA    ) 
       ( resid   51 and name C    )   ( resid   52 and name N    )  1   -42.0    15.2 2  
assign ( resid   52 and name N    )   ( resid   52 and name CA    ) 
       ( resid   52 and name C    )   ( resid   53 and name N    )  1   -43.3     7.3 2  
assign ( resid   53 and name N    )   ( resid   53 and name CA    ) 
       ( resid   53 and name C    )   ( resid   54 and name N    )  1   -28.6    14.7 2  
assign ( resid   54 and name N    )   ( resid   54 and name CA    ) 
       ( resid   54 and name C    )   ( resid   55 and name N    )  1   -13.2    42.7 2  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -12.818  22.289   7.016
    2    H2   MET   1           HT2      MET   1 -13.042  23.868   6.468
    3    H3   MET   1           HT3      MET   1 -12.611  23.585   8.079
    4    HA   MET   1           HA       MET   1 -10.957  22.970   5.707
    5    HB2  MET   1           HB2      MET   1 -10.645  25.165   7.809
    6    HB3  MET   1           HB1      MET   1  -9.476  24.811   6.540
    7    HG2  MET   1           HG2      MET   1 -12.296  25.843   6.153
    8    HG3  MET   1           HG1      MET   1 -10.796  26.745   5.916
    9    HE1  MET   1           HE1      MET   1 -11.465  27.491   3.416
   10    HE2  MET   1           HE2      MET   1 -13.025  26.714   3.697
   11    HE3  MET   1           HE3      MET   1 -12.114  26.353   2.232
   12    H    GLY   2           HN       GLY   2  -8.500  23.119   6.864
   13    HA2  GLY   2           HA2      GLY   2  -7.871  22.084   9.287
   14    HA3  GLY   2           HA1      GLY   2  -8.361  20.652   8.383
   15    H    SER   3           HN       SER   3  -6.451  19.645   8.124
   16    HA   SER   3           HA       SER   3  -4.547  20.743   6.221
   17    HB2  SER   3           HB2      SER   3  -2.574  20.209   7.742
   18    HB3  SER   3           HB1      SER   3  -3.538  21.585   8.264
   19    HG   SER   3           HG       SER   3  -4.515  19.327   9.358
   20    H    HIS   4           HN       HIS   4  -5.081  19.106   4.875
   21    HA   HIS   4           HA       HIS   4  -5.081  16.357   5.336
   22    HB2  HIS   4           HB2      HIS   4  -5.366  17.892   3.040
   23    HB3  HIS   4           HB1      HIS   4  -3.829  17.094   2.715
   24    HD1  HIS   4           HD1      HIS   4  -7.316  16.626   2.194
   25    HD2  HIS   4           HD2      HIS   4  -4.183  14.095   3.221
   26    HE1  HIS   4           HE1      HIS   4  -8.129  14.304   1.714
   27    HE2  HIS   4           HE2      HIS   4  -6.328  12.804   2.609
   28    H    LYS   5           HN       LYS   5  -3.535  15.440   6.579
   29    HA   LYS   5           HA       LYS   5  -0.668  16.080   6.113
   30    HB2  LYS   5           HB2      LYS   5  -1.724  17.217   8.125
   31    HB3  LYS   5           HB1      LYS   5  -2.020  15.623   8.808
   32    HG2  LYS   5           HG2      LYS   5   0.401  15.193   8.903
   33    HG3  LYS   5           HG1      LYS   5   0.718  16.758   8.148
   34    HD2  LYS   5           HD2      LYS   5   1.093  17.015  10.512
   35    HD3  LYS   5           HD1      LYS   5  -0.404  17.861  10.125
   36    HE2  LYS   5           HE2      LYS   5  -1.713  15.972  11.004
   37    HE3  LYS   5           HE1      LYS   5  -0.228  15.077  11.332
   38    HZ1  LYS   5           HZ1      LYS   5  -1.049  16.095  13.321
   39    HZ2  LYS   5           HZ2      LYS   5  -1.054  17.623  12.603
   40    HZ3  LYS   5           HZ3      LYS   5   0.411  16.826  12.887
   41    H    CYS   6           HN       CYS   6   0.836  14.386   6.709
   42    HA   CYS   6           HA       CYS   6   0.112  11.915   5.612
   43    HB2  CYS   6           HB2      CYS   6   2.412  12.721   5.467
   44    HB3  CYS   6           HB1      CYS   6   2.602  12.621   7.229
   45    H    ASN   7           HN       ASN   7   0.534  12.856   8.984
   46    HA   ASN   7           HA       ASN   7  -0.143  12.066  10.945
   47    HB2  ASN   7           HB2      ASN   7  -2.030  10.798  11.195
   48    HB3  ASN   7           HB1      ASN   7  -2.173  11.037   9.463
   49   HD21  ASN   7          HD21      ASN   7  -1.408   8.737  11.991
   50   HD22  ASN   7          HD22      ASN   7  -1.550   7.323  11.004
   51    H    VAL   8           HN       VAL   8   0.949   9.379   8.842
   52    HA   VAL   8           HA       VAL   8   2.372   7.863  10.727
   53    HB   VAL   8           HB       VAL   8   3.160   8.248   7.802
   54   HG11  VAL   8          HG11      VAL   8   4.048   5.944   7.948
   55   HG12  VAL   8          HG12      VAL   8   3.595   5.879   9.652
   56   HG13  VAL   8          HG13      VAL   8   4.839   7.007   9.116
   57   HG21  VAL   8          HG21      VAL   8   0.757   7.730   7.927
   58   HG22  VAL   8          HG22      VAL   8   1.095   6.337   8.956
   59   HG23  VAL   8          HG23      VAL   8   1.644   6.347   7.281
   60    H    CYS   9           HN       CYS   9   3.656  10.333   8.466
   61    HA   CYS   9           HA       CYS   9   6.063  10.780  10.022
   62    HB2  CYS   9           HB2      CYS   9   4.905  12.453   7.754
   63    HB3  CYS   9           HB1      CYS   9   6.511  12.645   8.446
   64    H    SER  10           HN       SER  10   3.068  12.497   9.287
   65    HA   SER  10           HA       SER  10   1.875  14.159  10.180
   66    HB2  SER  10           HB2      SER  10   2.033  12.925  12.314
   67    HB3  SER  10           HB1      SER  10   3.563  13.717  12.687
   68    HG   SER  10           HG       SER  10   1.643  14.644  13.695
   69    H    ARG  11           HN       ARG  11   5.032  14.492   9.346
   70    HA   ARG  11           HA       ARG  11   5.257  17.359  10.084
   71    HB2  ARG  11           HB2      ARG  11   7.492  15.439   9.349
   72    HB3  ARG  11           HB1      ARG  11   7.670  17.064  10.007
   73    HG2  ARG  11           HG2      ARG  11   6.703  16.314  12.141
   74    HG3  ARG  11           HG1      ARG  11   6.475  14.693  11.476
   75    HD2  ARG  11           HD2      ARG  11   9.110  16.111  11.994
   76    HD3  ARG  11           HD1      ARG  11   8.488  14.678  12.813
   77    HE   ARG  11           HE       ARG  11   8.645  13.567  10.528
   78   HH11  ARG  11          HH11      ARG  11  10.875  16.077  11.538
   79   HH12  ARG  11          HH12      ARG  11  12.124  15.567  10.450
   80   HH21  ARG  11          HH21      ARG  11  10.295  12.920   9.111
   81   HH22  ARG  11          HH22      ARG  11  11.804  13.772   9.092
   82    H    THR  12           HN       THR  12   4.252  15.835   7.361
   83    HA   THR  12           HA       THR  12   5.578  17.723   5.586
   84    HB   THR  12           HB       THR  12   7.227  15.861   5.709
   85    HG1  THR  12           HG1      THR  12   7.251  17.014   3.816
   86   HG21  THR  12          HG21      THR  12   6.730  13.715   4.562
   87   HG22  THR  12          HG22      THR  12   5.042  14.202   4.403
   88   HG23  THR  12          HG23      THR  12   5.733  13.931   6.004
   89    H    PHE  13           HN       PHE  13   4.557  18.222   3.905
   90    HA   PHE  13           HA       PHE  13   3.283  16.581   2.062
   91    HB2  PHE  13           HB2      PHE  13   1.075  17.926   1.849
   92    HB3  PHE  13           HB1      PHE  13   1.134  16.704   3.087
   93    HD1  PHE  13           HD2      PHE  13   1.123  20.342   2.426
   94    HD2  PHE  13           HD1      PHE  13   0.948  17.325   5.452
   95    HE1  PHE  13           HE2      PHE  13   0.364  22.017   4.057
   96    HE2  PHE  13           HE1      PHE  13   0.184  19.007   7.072
   97    HZ   PHE  13           HZ       PHE  13  -0.110  21.352   6.384
   98    H    PHE  14           HN       PHE  14   3.349  17.600   0.031
   99    HA   PHE  14           HA       PHE  14   4.644  20.205  -0.170
  100    HB2  PHE  14           HB2      PHE  14   5.305  18.406  -1.730
  101    HB3  PHE  14           HB1      PHE  14   3.642  18.229  -2.278
  102    HD1  PHE  14           HD1      PHE  14   6.365  20.821  -2.060
  103    HD2  PHE  14           HD2      PHE  14   2.999  19.346  -4.263
  104    HE1  PHE  14           HE1      PHE  14   6.790  22.470  -3.833
  105    HE2  PHE  14           HE2      PHE  14   3.446  20.995  -6.032
  106    HZ   PHE  14           HZ       PHE  14   5.342  22.560  -5.826
  107    H    SER  15           HN       SER  15   1.550  18.723  -0.444
  108    HA   SER  15           HA       SER  15  -0.077  21.037  -0.298
  109    HB2  SER  15           HB2      SER  15  -1.131  20.793  -2.615
  110    HB3  SER  15           HB1      SER  15   0.515  21.424  -2.640
  111    HG   SER  15           HG       SER  15   0.914  19.837  -3.944
  112    H    GLU  16           HN       GLU  16  -2.520  20.049  -1.217
  113    HA   GLU  16           HA       GLU  16  -3.027  17.742   0.436
  114    HB2  GLU  16           HB2      GLU  16  -4.863  19.320   0.017
  115    HB3  GLU  16           HB1      GLU  16  -4.773  19.021  -1.714
  116    HG2  GLU  16           HG2      GLU  16  -5.537  16.723  -1.414
  117    HG3  GLU  16           HG1      GLU  16  -5.504  16.906   0.339
  118    H    ASN  17           HN       ASN  17  -2.535  18.312  -3.039
  119    HA   ASN  17           HA       ASN  17  -2.960  15.615  -3.948
  120    HB2  ASN  17           HB2      ASN  17  -3.219  17.562  -5.465
  121    HB3  ASN  17           HB1      ASN  17  -1.525  17.980  -5.238
  122   HD21  ASN  17          HD21      ASN  17  -0.950  17.817  -7.385
  123   HD22  ASN  17          HD22      ASN  17  -0.934  16.334  -8.274
  124    H    GLY  18           HN       GLY  18  -0.264  17.600  -3.041
  125    HA2  GLY  18           HA2      GLY  18   1.955  15.956  -3.501
  126    HA3  GLY  18           HA1      GLY  18   1.859  17.183  -2.245
  127    H    LEU  19           HN       LEU  19  -0.036  16.226  -0.536
  128    HA   LEU  19           HA       LEU  19   1.174  14.178   0.909
  129    HB2  LEU  19           HB2      LEU  19  -0.434  16.071   1.623
  130    HB3  LEU  19           HB1      LEU  19  -1.732  14.997   1.187
  131    HG   LEU  19           HG       LEU  19  -0.988  15.140   3.689
  132   HD11  LEU  19          HD11      LEU  19  -1.512  12.787   4.151
  133   HD12  LEU  19          HD12      LEU  19  -1.339  12.412   2.434
  134   HD13  LEU  19          HD13      LEU  19  -2.614  13.504   2.979
  135   HD21  LEU  19          HD21      LEU  19   1.445  14.891   3.259
  136   HD22  LEU  19          HD22      LEU  19   1.171  13.221   2.741
  137   HD23  LEU  19          HD23      LEU  19   0.821  13.711   4.398
  138    H    ARG  20           HN       ARG  20  -1.590  14.098  -1.298
  139    HA   ARG  20           HA       ARG  20  -2.489  11.465  -0.941
  140    HB2  ARG  20           HB2      ARG  20  -2.411  13.182  -3.454
  141    HB3  ARG  20           HB1      ARG  20  -3.268  11.654  -3.375
  142    HG2  ARG  20           HG2      ARG  20  -3.977  13.751  -1.336
  143    HG3  ARG  20           HG1      ARG  20  -4.496  14.010  -3.001
  144    HD2  ARG  20           HD2      ARG  20  -6.244  12.926  -1.668
  145    HD3  ARG  20           HD1      ARG  20  -5.708  11.881  -2.985
  146    HE   ARG  20           HE       ARG  20  -4.856  11.554  -0.164
  147   HH11  ARG  20          HH11      ARG  20  -5.785  10.104  -3.220
  148   HH12  ARG  20          HH12      ARG  20  -5.814   8.491  -2.583
  149   HH21  ARG  20          HH21      ARG  20  -4.901   9.446   0.666
  150   HH22  ARG  20          HH22      ARG  20  -5.289   8.118  -0.380
  151    H    GLU  21           HN       GLU  21  -0.118  12.666  -3.330
  152    HA   GLU  21           HA       GLU  21   0.812  10.221  -4.308
  153    HB2  GLU  21           HB2      GLU  21   1.318  12.418  -5.363
  154    HB3  GLU  21           HB1      GLU  21   2.342  12.831  -3.991
  155    HG2  GLU  21           HG2      GLU  21   3.816  10.847  -4.603
  156    HG3  GLU  21           HG1      GLU  21   2.854  10.669  -6.070
  157    H    HIS  22           HN       HIS  22   1.888  12.158  -1.552
  158    HA   HIS  22           HA       HIS  22   4.155  10.590  -0.871
  159    HB2  HIS  22           HB2      HIS  22   4.107  12.916  -0.185
  160    HB3  HIS  22           HB1      HIS  22   2.632  12.673   0.746
  161    HD1  HIS  22           HD1      HIS  22   6.270  11.562   0.775
  162    HD2  HIS  22           HD2      HIS  22   3.039  12.016   3.333
  163    HE1  HIS  22           HE1      HIS  22   7.064  10.836   3.057
  164    H    LEU  23           HN       LEU  23   0.767  10.245  -0.098
  165    HA   LEU  23           HA       LEU  23   0.990   8.930   2.373
  166    HB2  LEU  23           HB2      LEU  23  -1.124   9.938   1.302
  167    HB3  LEU  23           HB1      LEU  23  -1.244   8.443   0.388
  168    HG   LEU  23           HG       LEU  23  -1.221   7.190   2.618
  169   HD11  LEU  23          HD11      LEU  23  -1.659   9.966   3.761
  170   HD12  LEU  23          HD12      LEU  23  -0.251   8.936   4.027
  171   HD13  LEU  23          HD13      LEU  23  -1.826   8.450   4.653
  172   HD21  LEU  23          HD21      LEU  23  -3.309   7.513   1.350
  173   HD22  LEU  23          HD22      LEU  23  -3.559   9.067   2.150
  174   HD23  LEU  23          HD23      LEU  23  -3.594   7.573   3.087
  175    H    GLN  24           HN       GLN  24   1.265   7.780  -0.920
  176    HA   GLN  24           HA       GLN  24   0.933   4.996  -0.373
  177    HB2  GLN  24           HB2      GLN  24   1.969   6.439  -2.817
  178    HB3  GLN  24           HB1      GLN  24   1.575   4.723  -2.750
  179    HG2  GLN  24           HG2      GLN  24  -0.424   6.930  -2.203
  180    HG3  GLN  24           HG1      GLN  24  -0.165   6.204  -3.772
  181   HE21  GLN  24          HE21      GLN  24  -2.327   5.509  -3.871
  182   HE22  GLN  24          HE22      GLN  24  -2.903   4.173  -2.945
  183    H    THR  25           HN       THR  25   3.597   7.143  -0.039
  184    HA   THR  25           HA       THR  25   5.783   5.493  -0.757
  185    HB   THR  25           HB       THR  25   7.212   7.035   0.510
  186    HG1  THR  25           HG1      THR  25   5.360   8.765   1.424
  187   HG21  THR  25          HG21      THR  25   6.379   7.848  -1.673
  188   HG22  THR  25          HG22      THR  25   6.593   9.174  -0.528
  189   HG23  THR  25          HG23      THR  25   4.978   8.552  -0.860
  190    H    HIS  26           HN       HIS  26   3.633   5.186   1.862
  191    HA   HIS  26           HA       HIS  26   5.586   3.840   3.612
  192    HB2  HIS  26           HB2      HIS  26   2.781   4.868   4.214
  193    HB3  HIS  26           HB1      HIS  26   3.803   4.017   5.375
  194    HD1  HIS  26           HD1      HIS  26   6.014   5.295   6.147
  195    HD2  HIS  26           HD2      HIS  26   3.342   7.552   3.892
  196    HE1  HIS  26           HE1      HIS  26   6.769   7.696   6.336
  197    H    ARG  27           HN       ARG  27   2.958   3.135   1.409
  198    HA   ARG  27           HA       ARG  27   2.580   0.406   2.085
  199    HB2  ARG  27           HB2      ARG  27   2.845   1.417  -0.789
  200    HB3  ARG  27           HB1      ARG  27   1.910   0.040  -0.216
  201    HG2  ARG  27           HG2      ARG  27   1.260   2.949   0.349
  202    HG3  ARG  27           HG1      ARG  27   0.521   1.972  -0.917
  203    HD2  ARG  27           HD2      ARG  27  -0.431   0.467   0.774
  204    HD3  ARG  27           HD1      ARG  27   0.334   1.414   2.063
  205    HE   ARG  27           HE       ARG  27  -1.336   2.983   0.311
  206   HH11  ARG  27          HH11      ARG  27  -1.383   1.006   3.204
  207   HH12  ARG  27          HH12      ARG  27  -2.854   1.698   3.805
  208   HH21  ARG  27          HH21      ARG  27  -3.263   3.891   1.110
  209   HH22  ARG  27          HH22      ARG  27  -3.924   3.338   2.616
  210    H    GLY  28           HN       GLY  28   4.951   2.141   0.177
  211    HA2  GLY  28           HA2      GLY  28   7.295   1.714   0.155
  212    HA3  GLY  28           HA1      GLY  28   6.980   0.018   0.505
  213    HA   PRO  29           HA       PRO  29   7.504   0.688  -4.190
  214    HB2  PRO  29           HB2      PRO  29   9.912  -0.580  -4.533
  215    HB3  PRO  29           HB1      PRO  29   9.777   1.148  -4.193
  216    HG2  PRO  29           HG2      PRO  29  10.417  -1.108  -2.315
  217    HG3  PRO  29           HG1      PRO  29  11.145   0.508  -2.424
  218    HD2  PRO  29           HD2      PRO  29   9.257  -0.139  -0.551
  219    HD3  PRO  29           HD1      PRO  29   9.447   1.503  -1.203
  220    H    ALA  30           HN       ALA  30   6.235  -0.798  -5.195
  221    HA   ALA  30           HA       ALA  30   5.695  -3.334  -4.026
  222    HB1  ALA  30           HB1      ALA  30   4.770  -2.249  -6.711
  223    HB2  ALA  30           HB2      ALA  30   3.967  -1.985  -5.161
  224    HB3  ALA  30           HB3      ALA  30   4.074  -3.612  -5.827
  225    H    LYS  31           HN       LYS  31   7.841  -4.254  -4.073
  226    HA   LYS  31           HA       LYS  31   8.349  -5.829  -6.538
  227    HB2  LYS  31           HB2      LYS  31  10.243  -5.325  -4.194
  228    HB3  LYS  31           HB1      LYS  31  10.624  -6.221  -5.661
  229    HG2  LYS  31           HG2      LYS  31  10.347  -4.129  -6.979
  230    HG3  LYS  31           HG1      LYS  31  10.034  -3.248  -5.482
  231    HD2  LYS  31           HD2      LYS  31  12.618  -4.671  -6.244
  232    HD3  LYS  31           HD1      LYS  31  12.370  -2.924  -6.172
  233    HE2  LYS  31           HE2      LYS  31  12.340  -4.859  -3.825
  234    HE3  LYS  31           HE1      LYS  31  13.579  -3.662  -4.201
  235    HZ1  LYS  31           HZ1      LYS  31  10.779  -3.115  -3.365
  236    HZ2  LYS  31           HZ2      LYS  31  11.874  -1.923  -3.873
  237    HZ3  LYS  31           HZ3      LYS  31  12.192  -2.823  -2.476
  238    H    HIS  32           HN       HIS  32   6.235  -6.574  -5.370
  239    HA   HIS  32           HA       HIS  32   6.541  -9.132  -4.208
  240    HB2  HIS  32           HB2      HIS  32   5.619  -8.721  -1.957
  241    HB3  HIS  32           HB1      HIS  32   7.092  -7.788  -2.160
  242    HD1  HIS  32           HD1      HIS  32   3.690  -7.434  -1.009
  243    HD2  HIS  32           HD2      HIS  32   6.464  -4.944  -2.848
  244    HE1  HIS  32           HE1      HIS  32   2.859  -5.095  -0.640
  245    HE2  HIS  32           HE2      HIS  32   4.660  -3.616  -1.573
  246    H    TYR  33           HN       TYR  33   4.310 -10.018  -3.621
  247    HA   TYR  33           HA       TYR  33   2.055  -8.380  -4.554
  248    HB2  TYR  33           HB2      TYR  33   2.969 -10.011  -6.439
  249    HB3  TYR  33           HB1      TYR  33   2.174 -11.266  -5.507
  250    HD1  TYR  33           HD1      TYR  33   1.531  -8.015  -7.267
  251    HD2  TYR  33           HD2      TYR  33  -0.211 -11.571  -5.682
  252    HE1  TYR  33           HE1      TYR  33  -0.619  -7.443  -8.322
  253    HE2  TYR  33           HE2      TYR  33  -2.343 -11.010  -6.741
  254    HH   TYR  33           HH       TYR  33  -3.521  -8.942  -7.513
  255    H    MET  34           HN       MET  34   0.069  -8.936  -3.628
  256    HA   MET  34           HA       MET  34   0.159 -10.682  -1.240
  257    HB2  MET  34           HB2      MET  34  -0.411  -8.281  -0.863
  258    HB3  MET  34           HB1      MET  34  -1.735  -8.412  -2.011
  259    HG2  MET  34           HG2      MET  34  -2.805 -10.081  -0.482
  260    HG3  MET  34           HG1      MET  34  -1.529  -9.767   0.690
  261    HE1  MET  34           HE1      MET  34  -1.149  -6.539   0.163
  262    HE2  MET  34           HE2      MET  34  -1.114  -7.296   1.757
  263    HE3  MET  34           HE3      MET  34  -2.178  -5.928   1.466
  264    H    CYS  35           HN       CYS  35  -1.355 -12.335  -1.073
  265    HA   CYS  35           HA       CYS  35  -2.071 -13.584  -3.500
  266    HB2  CYS  35           HB2      CYS  35  -1.430 -14.760  -1.433
  267    HB3  CYS  35           HB1      CYS  35  -2.902 -14.241  -0.675
  268    HA   PRO  36           HA       PRO  36  -6.318 -12.030  -4.108
  269    HB2  PRO  36           HB2      PRO  36  -6.674 -14.620  -5.591
  270    HB3  PRO  36           HB1      PRO  36  -6.972 -12.966  -6.146
  271    HG2  PRO  36           HG2      PRO  36  -4.845 -14.322  -7.027
  272    HG3  PRO  36           HG1      PRO  36  -4.712 -12.591  -6.645
  273    HD2  PRO  36           HD2      PRO  36  -3.851 -14.966  -5.001
  274    HD3  PRO  36           HD1      PRO  36  -2.989 -13.443  -5.315
  275    H    ILE  37           HN       ILE  37  -5.750 -15.504  -3.343
  276    HA   ILE  37           HA       ILE  37  -8.439 -15.913  -2.430
  277    HB   ILE  37           HB       ILE  37  -6.034 -17.773  -2.221
  278   HG12  ILE  37          HG12      ILE  37  -8.051 -17.606  -4.528
  279   HG13  ILE  37          HG11      ILE  37  -6.413 -16.971  -4.602
  280   HG21  ILE  37          HG21      ILE  37  -7.712 -19.585  -2.218
  281   HG22  ILE  37          HG22      ILE  37  -9.007 -18.388  -2.268
  282   HG23  ILE  37          HG23      ILE  37  -7.949 -18.489  -0.860
  283   HD11  ILE  37          HD11      ILE  37  -6.573 -19.094  -5.748
  284   HD12  ILE  37          HD12      ILE  37  -7.190 -19.874  -4.294
  285   HD13  ILE  37          HD13      ILE  37  -5.537 -19.260  -4.329
  286    H    CYS  38           HN       CYS  38  -5.242 -16.239  -0.719
  287    HA   CYS  38           HA       CYS  38  -6.670 -15.905   1.849
  288    HB2  CYS  38           HB2      CYS  38  -5.122 -17.403   2.848
  289    HB3  CYS  38           HB1      CYS  38  -5.607 -18.147   1.339
  290    H    GLY  39           HN       GLY  39  -4.636 -14.095  -0.054
  291    HA2  GLY  39           HA2      GLY  39  -3.593 -12.148   0.260
  292    HA3  GLY  39           HA1      GLY  39  -4.279 -12.093   1.872
  293    H    GLU  40           HN       GLU  40  -2.215 -14.806   1.360
  294    HA   GLU  40           HA       GLU  40  -0.038 -13.898   2.881
  295    HB2  GLU  40           HB2      GLU  40  -0.292 -16.176   0.889
  296    HB3  GLU  40           HB1      GLU  40   1.152 -15.919   1.862
  297    HG2  GLU  40           HG2      GLU  40  -1.629 -16.421   2.958
  298    HG3  GLU  40           HG1      GLU  40  -0.358 -17.624   2.817
  299    H    ARG  41           HN       ARG  41   2.058 -13.266   2.262
  300    HA   ARG  41           HA       ARG  41   2.100 -11.738  -0.275
  301    HB2  ARG  41           HB2      ARG  41   3.515 -10.047   0.877
  302    HB3  ARG  41           HB1      ARG  41   1.918 -10.192   1.585
  303    HG2  ARG  41           HG2      ARG  41   4.323 -11.573   2.812
  304    HG3  ARG  41           HG1      ARG  41   3.911  -9.897   3.175
  305    HD2  ARG  41           HD2      ARG  41   1.783 -10.550   4.108
  306    HD3  ARG  41           HD1      ARG  41   1.997 -12.216   3.577
  307    HE   ARG  41           HE       ARG  41   3.957 -11.110   5.442
  308   HH11  ARG  41          HH11      ARG  41   1.157 -13.188   5.038
  309   HH12  ARG  41          HH12      ARG  41   1.443 -14.069   6.499
  310   HH21  ARG  41          HH21      ARG  41   4.310 -12.249   7.390
  311   HH22  ARG  41          HH22      ARG  41   3.224 -13.524   7.846
  312    H    PHE  42           HN       PHE  42   3.794 -11.983  -1.594
  313    HA   PHE  42           HA       PHE  42   6.131 -13.582  -0.739
  314    HB2  PHE  42           HB2      PHE  42   4.289 -14.042  -3.119
  315    HB3  PHE  42           HB1      PHE  42   5.949 -14.617  -3.137
  316    HD1  PHE  42           HD1      PHE  42   2.718 -14.933  -1.293
  317    HD2  PHE  42           HD2      PHE  42   6.602 -16.591  -1.965
  318    HE1  PHE  42           HE1      PHE  42   2.098 -16.928  -0.006
  319    HE2  PHE  42           HE2      PHE  42   5.964 -18.590  -0.680
  320    HZ   PHE  42           HZ       PHE  42   3.714 -18.756   0.306
  321    HA   PRO  43           HA       PRO  43   8.574 -10.362  -2.369
  322    HB2  PRO  43           HB2      PRO  43  10.800 -11.597  -3.368
  323    HB3  PRO  43           HB1      PRO  43  10.417 -11.556  -1.642
  324    HG2  PRO  43           HG2      PRO  43   9.887 -13.744  -3.651
  325    HG3  PRO  43           HG1      PRO  43  10.605 -13.865  -2.029
  326    HD2  PRO  43           HD2      PRO  43   8.006 -14.444  -2.469
  327    HD3  PRO  43           HD1      PRO  43   8.538 -13.670  -0.957
  328    H    SER  44           HN       SER  44   7.061 -12.265  -4.699
  329    HA   SER  44           HA       SER  44   7.302 -10.122  -6.614
  330    HB2  SER  44           HB2      SER  44   8.051 -11.632  -8.523
  331    HB3  SER  44           HB1      SER  44   9.293 -11.334  -7.313
  332    HG   SER  44           HG       SER  44   9.419 -13.412  -7.150
  333    H    LEU  45           HN       LEU  45   5.984 -10.478  -8.533
  334    HA   LEU  45           HA       LEU  45   3.573 -12.108  -8.136
  335    HB2  LEU  45           HB2      LEU  45   3.748  -9.630  -9.119
  336    HB3  LEU  45           HB1      LEU  45   4.181 -10.436 -10.613
  337    HG   LEU  45           HG       LEU  45   1.544 -10.771  -9.115
  338   HD11  LEU  45          HD11      LEU  45   1.745  -8.544 -10.129
  339   HD12  LEU  45          HD12      LEU  45   0.540  -9.504 -10.982
  340   HD13  LEU  45          HD13      LEU  45   2.139  -9.270 -11.691
  341   HD21  LEU  45          HD21      LEU  45   0.734 -11.957 -11.120
  342   HD22  LEU  45          HD22      LEU  45   2.058 -12.820 -10.338
  343   HD23  LEU  45          HD23      LEU  45   2.359 -11.895 -11.812
  344    H    LEU  46           HN       LEU  46   5.256 -13.871  -8.094
  345    HA   LEU  46           HA       LEU  46   5.338 -15.413 -10.524
  346    HB2  LEU  46           HB2      LEU  46   7.329 -14.007 -10.927
  347    HB3  LEU  46           HB1      LEU  46   7.914 -14.302  -9.305
  348    HG   LEU  46           HG       LEU  46   8.333 -16.691  -9.888
  349   HD11  LEU  46          HD11      LEU  46   7.492 -15.900 -12.700
  350   HD12  LEU  46          HD12      LEU  46   6.644 -17.025 -11.635
  351   HD13  LEU  46          HD13      LEU  46   8.247 -17.429 -12.242
  352   HD21  LEU  46          HD21      LEU  46  10.158 -15.052 -10.108
  353   HD22  LEU  46          HD22      LEU  46   9.678 -14.724 -11.774
  354   HD23  LEU  46          HD23      LEU  46  10.289 -16.317 -11.329
  355    H    THR  47           HN       THR  47   7.112 -15.012  -7.460
  356    HA   THR  47           HA       THR  47   6.837 -17.609  -6.459
  357    HB   THR  47           HB       THR  47   7.162 -16.452  -4.184
  358    HG1  THR  47           HG1      THR  47   7.823 -14.081  -5.472
  359   HG21  THR  47          HG21      THR  47   9.468 -15.739  -4.640
  360   HG22  THR  47          HG22      THR  47   9.135 -15.718  -6.373
  361   HG23  THR  47          HG23      THR  47   9.101 -17.244  -5.488
  362    H    LEU  48           HN       LEU  48   4.724 -14.746  -6.090
  363    HA   LEU  48           HA       LEU  48   2.729 -15.937  -4.512
  364    HB2  LEU  48           HB2      LEU  48   3.094 -13.432  -5.128
  365    HB3  LEU  48           HB1      LEU  48   2.200 -13.780  -6.592
  366    HG   LEU  48           HG       LEU  48   0.877 -12.686  -4.719
  367   HD11  LEU  48          HD11      LEU  48  -0.314 -13.820  -6.524
  368   HD12  LEU  48          HD12      LEU  48  -1.161 -13.985  -4.992
  369   HD13  LEU  48          HD13      LEU  48  -0.240 -15.345  -5.632
  370   HD21  LEU  48          HD21      LEU  48   1.092 -15.385  -3.362
  371   HD22  LEU  48          HD22      LEU  48   0.123 -14.012  -2.826
  372   HD23  LEU  48          HD23      LEU  48   1.880 -13.893  -2.829
  373    H    THR  49           HN       THR  49   3.209 -15.929  -8.020
  374    HA   THR  49           HA       THR  49   0.706 -17.021  -8.781
  375    HB   THR  49           HB       THR  49   3.372 -17.134 -10.255
  376    HG1  THR  49           HG1      THR  49   1.375 -15.209 -10.748
  377   HG21  THR  49          HG21      THR  49   1.655 -18.621 -11.268
  378   HG22  THR  49          HG22      THR  49   2.001 -17.239 -12.311
  379   HG23  THR  49          HG23      THR  49   0.528 -17.264 -11.342
  380    H    GLU  50           HN       GLU  50   3.869 -18.489  -8.127
  381    HA   GLU  50           HA       GLU  50   3.243 -21.195  -8.633
  382    HB2  GLU  50           HB2      GLU  50   5.293 -19.962  -6.751
  383    HB3  GLU  50           HB1      GLU  50   5.243 -21.673  -7.180
  384    HG2  GLU  50           HG2      GLU  50   5.725 -21.175  -9.494
  385    HG3  GLU  50           HG1      GLU  50   5.578 -19.444  -9.209
  386    H    HIS  51           HN       HIS  51   3.139 -19.285  -5.649
  387    HA   HIS  51           HA       HIS  51   2.147 -21.205  -3.860
  388    HB2  HIS  51           HB2      HIS  51   2.995 -19.203  -2.911
  389    HB3  HIS  51           HB1      HIS  51   2.074 -18.183  -4.008
  390    HD1  HIS  51           HD1      HIS  51   1.663 -20.167  -0.804
  391    HD2  HIS  51           HD2      HIS  51  -0.381 -17.407  -3.135
  392    HE1  HIS  51           HE1      HIS  51  -0.323 -19.409   0.562
  393    H    LYS  52           HN       LYS  52   0.488 -19.095  -6.142
  394    HA   LYS  52           HA       LYS  52  -2.154 -19.348  -5.230
  395    HB2  LYS  52           HB2      LYS  52  -1.093 -17.628  -6.895
  396    HB3  LYS  52           HB1      LYS  52  -1.420 -18.820  -8.141
  397    HG2  LYS  52           HG2      LYS  52  -3.536 -17.516  -6.374
  398    HG3  LYS  52           HG1      LYS  52  -3.114 -16.994  -8.001
  399    HD2  LYS  52           HD2      LYS  52  -4.373 -19.665  -7.242
  400    HD3  LYS  52           HD1      LYS  52  -5.196 -18.310  -8.013
  401    HE2  LYS  52           HE2      LYS  52  -2.923 -19.914  -9.239
  402    HE3  LYS  52           HE1      LYS  52  -4.628 -20.130  -9.619
  403    HZ1  LYS  52           HZ1      LYS  52  -3.060 -17.667 -10.087
  404    HZ2  LYS  52           HZ2      LYS  52  -4.692 -17.904 -10.467
  405    HZ3  LYS  52           HZ3      LYS  52  -3.499 -18.798 -11.260
  406    H    VAL  53           HN       VAL  53  -0.414 -21.194  -7.805
  407    HA   VAL  53           HA       VAL  53  -2.768 -22.596  -8.601
  408    HB   VAL  53           HB       VAL  53  -1.214 -23.940 -10.038
  409   HG11  VAL  53          HG11      VAL  53  -0.829 -20.933 -10.232
  410   HG12  VAL  53          HG12      VAL  53  -2.178 -21.856 -10.904
  411   HG13  VAL  53          HG13      VAL  53  -0.546 -22.094 -11.528
  412   HG21  VAL  53          HG21      VAL  53   1.167 -23.338 -10.206
  413   HG22  VAL  53          HG22      VAL  53   0.797 -23.955  -8.594
  414   HG23  VAL  53          HG23      VAL  53   0.999 -22.219  -8.854
  415    H    THR  54           HN       THR  54  -0.008 -23.424  -6.522
  416    HA   THR  54           HA       THR  54  -0.984 -26.159  -6.093
  417    HB   THR  54           HB       THR  54   1.138 -26.363  -4.687
  418    HG1  THR  54           HG1      THR  54   1.228 -23.951  -4.419
  419   HG21  THR  54          HG21      THR  54   1.511 -25.470  -7.568
  420   HG22  THR  54          HG22      THR  54   1.131 -27.110  -7.044
  421   HG23  THR  54          HG23      THR  54   2.687 -26.389  -6.624
  422    H    HIS  55           HN       HIS  55  -2.055 -23.409  -4.973
  423    HA   HIS  55           HA       HIS  55  -2.127 -23.009  -2.392
  424    HB2  HIS  55           HB2      HIS  55  -3.821 -22.341  -4.459
  425    HB3  HIS  55           HB1      HIS  55  -4.923 -23.219  -3.417
  426    HD1  HIS  55           HD1      HIS  55  -5.595 -22.040  -1.203
  427    HD2  HIS  55           HD2      HIS  55  -2.745 -20.000  -3.423
  428    HE1  HIS  55           HE1      HIS  55  -5.381 -19.750  -0.155
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  -8.649  25.316   0.524
    2    H2   MET   1           HT2      MET   1  -8.598  26.432   1.792
    3    H3   MET   1           HT3      MET   1  -9.045  24.830   2.094
    4    HA   MET   1           HA       MET   1  -6.397  25.716   1.147
    5    HB2  MET   1           HB2      MET   1  -6.717  26.414   3.469
    6    HB3  MET   1           HB1      MET   1  -7.345  24.837   3.913
    7    HG2  MET   1           HG2      MET   1  -5.140  23.828   3.563
    8    HG3  MET   1           HG1      MET   1  -4.493  25.385   3.045
    9    HE1  MET   1           HE1      MET   1  -3.975  27.411   4.696
   10    HE2  MET   1           HE2      MET   1  -4.549  27.456   6.365
   11    HE3  MET   1           HE3      MET   1  -5.704  27.472   5.034
   12    H    GLY   2           HN       GLY   2  -5.344  24.155   0.129
   13    HA2  GLY   2           HA2      GLY   2  -6.156  21.311   0.399
   14    HA3  GLY   2           HA1      GLY   2  -5.385  22.035  -1.007
   15    H    SER   3           HN       SER   3  -4.867  20.798   2.228
   16    HA   SER   3           HA       SER   3  -2.097  20.223   1.775
   17    HB2  SER   3           HB2      SER   3  -2.852  22.258   3.941
   18    HB3  SER   3           HB1      SER   3  -1.270  21.492   3.791
   19    HG   SER   3           HG       SER   3  -1.615  22.488   1.479
   20    H    HIS   4           HN       HIS   4  -2.306  18.024   2.512
   21    HA   HIS   4           HA       HIS   4  -4.170  17.471   4.713
   22    HB2  HIS   4           HB2      HIS   4  -4.227  16.337   2.338
   23    HB3  HIS   4           HB1      HIS   4  -2.802  15.463   2.866
   24    HD1  HIS   4           HD1      HIS   4  -6.477  15.643   3.268
   25    HD2  HIS   4           HD2      HIS   4  -3.312  13.479   4.862
   26    HE1  HIS   4           HE1      HIS   4  -7.528  13.742   4.528
   27    HE2  HIS   4           HE2      HIS   4  -5.601  12.566   5.631
   28    H    LYS   5           HN       LYS   5  -3.359  15.852   6.325
   29    HA   LYS   5           HA       LYS   5  -0.468  16.118   6.882
   30    HB2  LYS   5           HB2      LYS   5  -1.908  16.920   8.711
   31    HB3  LYS   5           HB1      LYS   5  -2.781  15.391   8.734
   32    HG2  LYS   5           HG2      LYS   5  -0.693  14.223   9.457
   33    HG3  LYS   5           HG1      LYS   5   0.150  15.772   9.468
   34    HD2  LYS   5           HD2      LYS   5  -2.251  15.090  11.213
   35    HD3  LYS   5           HD1      LYS   5  -0.570  15.002  11.744
   36    HE2  LYS   5           HE2      LYS   5  -0.328  17.430  11.352
   37    HE3  LYS   5           HE1      LYS   5  -2.014  17.514  10.833
   38    HZ1  LYS   5           HZ1      LYS   5  -1.798  18.197  13.109
   39    HZ2  LYS   5           HZ2      LYS   5  -1.038  16.749  13.529
   40    HZ3  LYS   5           HZ3      LYS   5  -2.657  16.742  13.050
   41    H    CYS   6           HN       CYS   6   0.805  14.359   6.532
   42    HA   CYS   6           HA       CYS   6  -0.224  11.695   6.131
   43    HB2  CYS   6           HB2      CYS   6   1.868  12.359   5.068
   44    HB3  CYS   6           HB1      CYS   6   2.596  12.722   6.623
   45    H    ASN   7           HN       ASN   7  -0.857  10.341   7.748
   46    HA   ASN   7           HA       ASN   7  -0.778  11.235  10.459
   47    HB2  ASN   7           HB2      ASN   7  -2.700  10.003   9.444
   48    HB3  ASN   7           HB1      ASN   7  -1.713   8.552   9.360
   49   HD21  ASN   7          HD21      ASN   7  -1.268   7.409  11.284
   50   HD22  ASN   7          HD22      ASN   7  -2.117   7.716  12.756
   51    H    VAL   8           HN       VAL   8   1.127   8.900   8.602
   52    HA   VAL   8           HA       VAL   8   2.410   7.515  10.720
   53    HB   VAL   8           HB       VAL   8   3.662   8.138   7.997
   54   HG11  VAL   8          HG11      VAL   8   4.919   6.029   8.336
   55   HG12  VAL   8          HG12      VAL   8   4.158   5.834   9.919
   56   HG13  VAL   8          HG13      VAL   8   5.239   7.196   9.623
   57   HG21  VAL   8          HG21      VAL   8   1.825   5.808   8.685
   58   HG22  VAL   8          HG22      VAL   8   2.660   6.058   7.149
   59   HG23  VAL   8          HG23      VAL   8   1.410   7.189   7.666
   60    H    CYS   9           HN       CYS   9   3.296  10.451   8.940
   61    HA   CYS   9           HA       CYS   9   5.885  10.706  10.300
   62    HB2  CYS   9           HB2      CYS   9   4.580  12.311   8.079
   63    HB3  CYS   9           HB1      CYS   9   6.177  12.643   8.729
   64    H    SER  10           HN       SER  10   2.737  12.132  10.311
   65    HA   SER  10           HA       SER  10   1.597  13.515  11.632
   66    HB2  SER  10           HB2      SER  10   4.112  13.762  13.355
   67    HB3  SER  10           HB1      SER  10   2.480  14.263  13.812
   68    HG   SER  10           HG       SER  10   1.846  12.159  13.894
   69    H    ARG  11           HN       ARG  11   3.517  14.314   9.405
   70    HA   ARG  11           HA       ARG  11   3.623  17.243   9.854
   71    HB2  ARG  11           HB2      ARG  11   5.115  15.572   7.789
   72    HB3  ARG  11           HB1      ARG  11   5.294  17.309   8.036
   73    HG2  ARG  11           HG2      ARG  11   6.235  16.846  10.301
   74    HG3  ARG  11           HG1      ARG  11   6.102  15.113   9.980
   75    HD2  ARG  11           HD2      ARG  11   7.611  15.385   8.018
   76    HD3  ARG  11           HD1      ARG  11   7.784  17.103   8.411
   77    HE   ARG  11           HE       ARG  11   8.489  15.397  10.608
   78   HH11  ARG  11          HH11      ARG  11   9.726  16.875   7.670
   79   HH12  ARG  11          HH12      ARG  11  11.384  16.583   8.086
   80   HH21  ARG  11          HH21      ARG  11  10.668  15.026  11.124
   81   HH22  ARG  11          HH22      ARG  11  11.914  15.554  10.040
   82    H    THR  12           HN       THR  12   3.535  18.331   7.492
   83    HA   THR  12           HA       THR  12   1.177  17.295   6.032
   84    HB   THR  12           HB       THR  12   0.383  19.058   7.629
   85    HG1  THR  12           HG1      THR  12  -0.938  19.226   5.961
   86   HG21  THR  12          HG21      THR  12   2.218  20.926   6.079
   87   HG22  THR  12          HG22      THR  12   2.442  20.445   7.762
   88   HG23  THR  12          HG23      THR  12   1.048  21.426   7.304
   89    H    PHE  13           HN       PHE  13   1.095  17.904   3.836
   90    HA   PHE  13           HA       PHE  13   3.490  19.220   2.681
   91    HB2  PHE  13           HB2      PHE  13   2.787  16.788   1.925
   92    HB3  PHE  13           HB1      PHE  13   1.494  17.585   1.054
   93    HD1  PHE  13           HD1      PHE  13   2.099  19.253  -0.798
   94    HD2  PHE  13           HD2      PHE  13   5.035  16.762   1.061
   95    HE1  PHE  13           HE1      PHE  13   3.626  19.624  -2.692
   96    HE2  PHE  13           HE2      PHE  13   6.548  17.138  -0.840
   97    HZ   PHE  13           HZ       PHE  13   5.842  18.562  -2.723
   98    H    PHE  14           HN       PHE  14   3.151  20.983   1.334
   99    HA   PHE  14           HA       PHE  14   0.991  22.652   1.966
  100    HB2  PHE  14           HB2      PHE  14   3.062  23.005  -0.236
  101    HB3  PHE  14           HB1      PHE  14   2.064  24.282   0.462
  102    HD1  PHE  14           HD2      PHE  14   2.489  25.078   2.798
  103    HD2  PHE  14           HD1      PHE  14   5.002  22.128   0.981
  104    HE1  PHE  14           HE2      PHE  14   4.189  25.435   4.544
  105    HE2  PHE  14           HE1      PHE  14   6.681  22.478   2.744
  106    HZ   PHE  14           HZ       PHE  14   6.278  24.134   4.523
  107    H    SER  15           HN       SER  15   1.051  20.217  -0.430
  108    HA   SER  15           HA       SER  15  -1.524  21.208  -1.467
  109    HB2  SER  15           HB2      SER  15  -1.000  20.042  -3.617
  110    HB3  SER  15           HB1      SER  15   0.165  21.323  -3.275
  111    HG   SER  15           HG       SER  15   1.132  19.335  -3.965
  112    H    GLU  16           HN       GLU  16  -3.200  19.697  -1.525
  113    HA   GLU  16           HA       GLU  16  -3.249  17.325  -0.063
  114    HB2  GLU  16           HB2      GLU  16  -4.895  18.154  -2.489
  115    HB3  GLU  16           HB1      GLU  16  -5.205  16.662  -1.612
  116    HG2  GLU  16           HG2      GLU  16  -5.376  19.446  -0.443
  117    HG3  GLU  16           HG1      GLU  16  -6.744  18.492  -1.008
  118    H    ASN  17           HN       ASN  17  -2.733  17.773  -3.569
  119    HA   ASN  17           HA       ASN  17  -2.568  15.061  -4.279
  120    HB2  ASN  17           HB2      ASN  17  -3.048  16.934  -5.855
  121    HB3  ASN  17           HB1      ASN  17  -1.382  17.479  -5.711
  122   HD21  ASN  17          HD21      ASN  17   0.224  16.387  -6.848
  123   HD22  ASN  17          HD22      ASN  17  -0.115  15.168  -8.019
  124    H    GLY  18           HN       GLY  18  -0.155  17.271  -3.035
  125    HA2  GLY  18           HA2      GLY  18   2.183  15.756  -3.764
  126    HA3  GLY  18           HA1      GLY  18   2.109  17.113  -2.655
  127    H    LEU  19           HN       LEU  19   0.355  16.238  -0.710
  128    HA   LEU  19           HA       LEU  19   1.828  14.467   0.892
  129    HB2  LEU  19           HB2      LEU  19   0.065  16.237   1.557
  130    HB3  LEU  19           HB1      LEU  19  -1.148  15.034   1.190
  131    HG   LEU  19           HG       LEU  19  -0.585  15.302   3.637
  132   HD11  LEU  19          HD11      LEU  19  -0.623  12.951   4.240
  133   HD12  LEU  19          HD12      LEU  19  -0.136  12.495   2.607
  134   HD13  LEU  19          HD13      LEU  19  -1.702  13.261   2.882
  135   HD21  LEU  19          HD21      LEU  19   1.464  14.356   4.548
  136   HD22  LEU  19          HD22      LEU  19   1.829  15.662   3.421
  137   HD23  LEU  19          HD23      LEU  19   2.041  13.982   2.921
  138    H    ARG  20           HN       ARG  20  -1.212  13.944  -0.868
  139    HA   ARG  20           HA       ARG  20  -1.637  11.252  -0.431
  140    HB2  ARG  20           HB2      ARG  20  -2.299  12.839  -2.919
  141    HB3  ARG  20           HB1      ARG  20  -2.976  11.258  -2.510
  142    HG2  ARG  20           HG2      ARG  20  -3.930  12.247  -0.413
  143    HG3  ARG  20           HG1      ARG  20  -3.317  13.825  -0.912
  144    HD2  ARG  20           HD2      ARG  20  -4.683  13.512  -3.048
  145    HD3  ARG  20           HD1      ARG  20  -5.449  12.152  -2.226
  146    HE   ARG  20           HE       ARG  20  -5.606  14.430  -0.569
  147   HH11  ARG  20          HH11      ARG  20  -7.071  13.202  -3.528
  148   HH12  ARG  20          HH12      ARG  20  -8.469  14.221  -3.388
  149   HH21  ARG  20          HH21      ARG  20  -7.439  15.753  -0.416
  150   HH22  ARG  20          HH22      ARG  20  -8.676  15.660  -1.637
  151    H    GLU  21           HN       GLU  21   0.476  12.760  -2.805
  152    HA   GLU  21           HA       GLU  21   1.344  10.433  -4.193
  153    HB2  GLU  21           HB2      GLU  21   1.558  12.768  -5.057
  154    HB3  GLU  21           HB1      GLU  21   2.749  13.110  -3.814
  155    HG2  GLU  21           HG2      GLU  21   3.850  12.765  -5.939
  156    HG3  GLU  21           HG1      GLU  21   4.284  11.463  -4.830
  157    H    HIS  22           HN       HIS  22   2.551  12.212  -1.389
  158    HA   HIS  22           HA       HIS  22   4.957  10.795  -0.934
  159    HB2  HIS  22           HB2      HIS  22   4.849  12.967   0.003
  160    HB3  HIS  22           HB1      HIS  22   3.243  12.715   0.668
  161    HD1  HIS  22           HD1      HIS  22   6.876  11.899   1.394
  162    HD2  HIS  22           HD2      HIS  22   3.148  11.745   3.215
  163    HE1  HIS  22           HE1      HIS  22   7.279  11.266   3.806
  164    H    LEU  23           HN       LEU  23   1.683  10.404   0.347
  165    HA   LEU  23           HA       LEU  23   2.083   8.610   2.410
  166    HB2  LEU  23           HB2      LEU  23   0.069  10.076   1.685
  167    HB3  LEU  23           HB1      LEU  23  -0.384   8.740   0.652
  168    HG   LEU  23           HG       LEU  23  -0.125   8.497   3.678
  169   HD11  LEU  23          HD11      LEU  23  -2.648   9.018   2.070
  170   HD12  LEU  23          HD12      LEU  23  -1.834  10.176   3.122
  171   HD13  LEU  23          HD13      LEU  23  -2.558   8.726   3.813
  172   HD21  LEU  23          HD21      LEU  23  -0.033   6.333   2.530
  173   HD22  LEU  23          HD22      LEU  23  -1.527   6.701   1.667
  174   HD23  LEU  23          HD23      LEU  23  -1.543   6.493   3.423
  175    H    GLN  24           HN       GLN  24   1.803   8.102  -1.036
  176    HA   GLN  24           HA       GLN  24   1.262   5.369  -1.210
  177    HB2  GLN  24           HB2      GLN  24   2.785   7.184  -3.126
  178    HB3  GLN  24           HB1      GLN  24   2.199   5.573  -3.531
  179    HG2  GLN  24           HG2      GLN  24  -0.100   6.254  -3.244
  180    HG3  GLN  24           HG1      GLN  24   0.391   7.825  -2.625
  181   HE21  GLN  24          HE21      GLN  24   2.462   8.246  -4.641
  182   HE22  GLN  24          HE22      GLN  24   1.631   8.584  -6.113
  183    H    THR  25           HN       THR  25   4.186   6.847  -0.165
  184    HA   THR  25           HA       THR  25   6.017   4.736  -0.969
  185    HB   THR  25           HB       THR  25   7.714   5.993   0.290
  186    HG1  THR  25           HG1      THR  25   6.346   8.191   0.979
  187   HG21  THR  25          HG21      THR  25   7.660   8.130  -0.950
  188   HG22  THR  25          HG22      THR  25   5.961   7.854  -1.346
  189   HG23  THR  25          HG23      THR  25   7.205   6.778  -1.991
  190    H    HIS  26           HN       HIS  26   4.017   5.557   1.760
  191    HA   HIS  26           HA       HIS  26   5.174   3.639   3.618
  192    HB2  HIS  26           HB2      HIS  26   2.548   5.187   3.786
  193    HB3  HIS  26           HB1      HIS  26   3.253   4.226   5.091
  194    HD1  HIS  26           HD1      HIS  26   5.619   5.162   6.033
  195    HD2  HIS  26           HD2      HIS  26   3.398   7.774   3.682
  196    HE1  HIS  26           HE1      HIS  26   6.512   7.481   6.495
  197    H    ARG  27           HN       ARG  27   3.169   3.479   0.937
  198    HA   ARG  27           HA       ARG  27   1.786   1.001   1.749
  199    HB2  ARG  27           HB2      ARG  27   1.502   2.715  -0.769
  200    HB3  ARG  27           HB1      ARG  27   0.541   1.286  -0.390
  201    HG2  ARG  27           HG2      ARG  27   0.508   3.960   1.056
  202    HG3  ARG  27           HG1      ARG  27  -0.787   3.245   0.089
  203    HD2  ARG  27           HD2      ARG  27   0.257   2.242   2.769
  204    HD3  ARG  27           HD1      ARG  27  -1.307   3.009   2.468
  205    HE   ARG  27           HE       ARG  27  -1.165   0.746   0.834
  206   HH11  ARG  27          HH11      ARG  27  -1.256   1.415   4.275
  207   HH12  ARG  27          HH12      ARG  27  -1.974  -0.109   4.673
  208   HH21  ARG  27          HH21      ARG  27  -2.069  -1.276   1.385
  209   HH22  ARG  27          HH22      ARG  27  -2.416  -1.633   3.049
  210    H    GLY  28           HN       GLY  28   4.761   1.661   0.942
  211    HA2  GLY  28           HA2      GLY  28   6.487   0.423   0.075
  212    HA3  GLY  28           HA1      GLY  28   5.332  -0.795  -0.455
  213    HA   PRO  29           HA       PRO  29   6.616   1.358  -4.379
  214    HB2  PRO  29           HB2      PRO  29   7.116  -0.954  -5.797
  215    HB3  PRO  29           HB1      PRO  29   8.352  -0.122  -4.845
  216    HG2  PRO  29           HG2      PRO  29   6.711  -2.539  -4.130
  217    HG3  PRO  29           HG1      PRO  29   8.436  -2.226  -3.843
  218    HD2  PRO  29           HD2      PRO  29   6.528  -1.927  -1.898
  219    HD3  PRO  29           HD1      PRO  29   8.018  -0.960  -1.936
  220    H    ALA  30           HN       ALA  30   4.930   1.869  -5.714
  221    HA   ALA  30           HA       ALA  30   2.412   0.421  -5.426
  222    HB1  ALA  30           HB1      ALA  30   2.988   3.044  -6.843
  223    HB2  ALA  30           HB2      ALA  30   2.436   2.868  -5.177
  224    HB3  ALA  30           HB3      ALA  30   1.392   2.368  -6.508
  225    H    LYS  31           HN       LYS  31   3.805  -1.315  -6.617
  226    HA   LYS  31           HA       LYS  31   2.704  -1.680  -9.228
  227    HB2  LYS  31           HB2      LYS  31   4.731  -1.861 -10.520
  228    HB3  LYS  31           HB1      LYS  31   4.770  -0.293  -9.724
  229    HG2  LYS  31           HG2      LYS  31   6.375  -1.157  -8.056
  230    HG3  LYS  31           HG1      LYS  31   6.299  -2.758  -8.804
  231    HD2  LYS  31           HD2      LYS  31   7.145  -1.696 -10.953
  232    HD3  LYS  31           HD1      LYS  31   7.412  -0.206 -10.042
  233    HE2  LYS  31           HE2      LYS  31   8.731  -2.893  -9.506
  234    HE3  LYS  31           HE1      LYS  31   9.493  -1.494 -10.262
  235    HZ1  LYS  31           HZ1      LYS  31   8.478  -1.623  -7.477
  236    HZ2  LYS  31           HZ2      LYS  31   9.201  -0.274  -8.199
  237    HZ3  LYS  31           HZ3      LYS  31  10.095  -1.683  -7.953
  238    H    HIS  32           HN       HIS  32   3.438  -3.842 -10.110
  239    HA   HIS  32           HA       HIS  32   4.483  -5.761  -8.161
  240    HB2  HIS  32           HB2      HIS  32   1.751  -6.027  -9.523
  241    HB3  HIS  32           HB1      HIS  32   2.595  -7.388  -8.794
  242    HD1  HIS  32           HD1      HIS  32   0.318  -4.626  -7.980
  243    HD2  HIS  32           HD2      HIS  32   2.907  -7.124  -5.898
  244    HE1  HIS  32           HE1      HIS  32  -0.328  -4.413  -5.572
  245    HE2  HIS  32           HE2      HIS  32   1.304  -5.855  -4.324
  246    H    TYR  33           HN       TYR  33   5.792  -4.593 -10.264
  247    HA   TYR  33           HA       TYR  33   6.334  -6.913 -11.927
  248    HB2  TYR  33           HB2      TYR  33   6.627  -5.348 -13.985
  249    HB3  TYR  33           HB1      TYR  33   5.011  -5.895 -13.571
  250    HD1  TYR  33           HD1      TYR  33   7.300  -2.908 -13.328
  251    HD2  TYR  33           HD2      TYR  33   3.265  -4.305 -13.168
  252    HE1  TYR  33           HE1      TYR  33   6.495  -0.593 -13.345
  253    HE2  TYR  33           HE2      TYR  33   2.467  -1.979 -13.188
  254    HH   TYR  33           HH       TYR  33   4.470   0.648 -13.963
  255    H    MET  34           HN       MET  34   7.987  -7.107 -10.567
  256    HA   MET  34           HA       MET  34  10.336  -5.368 -10.958
  257    HB2  MET  34           HB2      MET  34   9.436  -4.959  -8.688
  258    HB3  MET  34           HB1      MET  34   9.395  -6.684  -8.363
  259    HG2  MET  34           HG2      MET  34  11.893  -6.732  -8.559
  260    HG3  MET  34           HG1      MET  34  11.868  -4.976  -8.735
  261    HE1  MET  34           HE1      MET  34  10.579  -7.225  -4.894
  262    HE2  MET  34           HE2      MET  34  11.183  -8.025  -6.350
  263    HE3  MET  34           HE3      MET  34   9.599  -7.250  -6.357
  264    H    CYS  35           HN       CYS  35  11.935  -6.586 -11.874
  265    HA   CYS  35           HA       CYS  35  11.568  -9.410 -12.233
  266    HB2  CYS  35           HB2      CYS  35  12.604  -7.944 -13.954
  267    HB3  CYS  35           HB1      CYS  35  13.955  -7.671 -12.896
  268    HA   PRO  36           HA       PRO  36  13.503 -10.505  -8.268
  269    HB2  PRO  36           HB2      PRO  36  13.846 -13.173  -9.631
  270    HB3  PRO  36           HB1      PRO  36  13.143 -12.797  -8.048
  271    HG2  PRO  36           HG2      PRO  36  11.551 -13.398 -10.098
  272    HG3  PRO  36           HG1      PRO  36  11.107 -12.084  -8.983
  273    HD2  PRO  36           HD2      PRO  36  12.319 -11.906 -11.745
  274    HD3  PRO  36           HD1      PRO  36  11.011 -10.934 -11.024
  275    H    ILE  37           HN       ILE  37  15.132 -11.470 -11.343
  276    HA   ILE  37           HA       ILE  37  17.716 -11.689 -10.092
  277    HB   ILE  37           HB       ILE  37  16.842 -11.695 -13.015
  278   HG12  ILE  37          HG12      ILE  37  17.575 -14.029 -11.178
  279   HG13  ILE  37          HG11      ILE  37  15.937 -13.593 -11.656
  280   HG21  ILE  37          HG21      ILE  37  19.198 -11.047 -12.886
  281   HG22  ILE  37          HG22      ILE  37  19.057 -12.678 -13.539
  282   HG23  ILE  37          HG23      ILE  37  19.554 -12.435 -11.864
  283   HD11  ILE  37          HD11      ILE  37  18.134 -14.554 -13.490
  284   HD12  ILE  37          HD12      ILE  37  16.496 -14.119 -13.990
  285   HD13  ILE  37          HD13      ILE  37  16.757 -15.493 -12.917
  286    H    CYS  38           HN       CYS  38  16.401  -9.410 -12.601
  287    HA   CYS  38           HA       CYS  38  18.689  -7.622 -12.035
  288    HB2  CYS  38           HB2      CYS  38  18.924  -7.224 -14.338
  289    HB3  CYS  38           HB1      CYS  38  18.669  -8.944 -14.204
  290    H    GLY  39           HN       GLY  39  15.352  -7.621 -11.712
  291    HA2  GLY  39           HA2      GLY  39  13.944  -6.063 -10.950
  292    HA3  GLY  39           HA1      GLY  39  15.355  -5.071 -10.608
  293    H    GLU  40           HN       GLU  40  14.749  -5.909 -13.922
  294    HA   GLU  40           HA       GLU  40  14.167  -3.325 -14.789
  295    HB2  GLU  40           HB2      GLU  40  13.713  -6.014 -16.116
  296    HB3  GLU  40           HB1      GLU  40  13.412  -4.487 -16.934
  297    HG2  GLU  40           HG2      GLU  40  15.831  -3.857 -16.468
  298    HG3  GLU  40           HG1      GLU  40  16.070  -5.511 -15.896
  299    H    ARG  41           HN       ARG  41  12.380  -2.169 -15.088
  300    HA   ARG  41           HA       ARG  41   9.792  -3.102 -14.040
  301    HB2  ARG  41           HB2      ARG  41  10.829  -0.338 -14.829
  302    HB3  ARG  41           HB1      ARG  41   9.215  -0.646 -14.191
  303    HG2  ARG  41           HG2      ARG  41  10.098  -1.301 -12.048
  304    HG3  ARG  41           HG1      ARG  41  11.752  -1.304 -12.665
  305    HD2  ARG  41           HD2      ARG  41  11.262   0.698 -11.287
  306    HD3  ARG  41           HD1      ARG  41  11.700   1.116 -12.943
  307    HE   ARG  41           HE       ARG  41   9.053   1.124 -13.147
  308   HH11  ARG  41          HH11      ARG  41  11.024   2.514 -10.591
  309   HH12  ARG  41          HH12      ARG  41   9.933   3.834 -10.312
  310   HH21  ARG  41          HH21      ARG  41   7.656   2.868 -12.783
  311   HH22  ARG  41          HH22      ARG  41   8.028   4.033 -11.555
  312    H    PHE  42           HN       PHE  42   7.988  -3.295 -15.313
  313    HA   PHE  42           HA       PHE  42   8.228  -2.795 -18.235
  314    HB2  PHE  42           HB2      PHE  42   7.103  -5.209 -16.742
  315    HB3  PHE  42           HB1      PHE  42   6.816  -4.925 -18.459
  316    HD1  PHE  42           HD1      PHE  42   9.338  -5.839 -15.944
  317    HD2  PHE  42           HD2      PHE  42   8.637  -5.099 -20.088
  318    HE1  PHE  42           HE1      PHE  42  11.521  -6.822 -16.494
  319    HE2  PHE  42           HE2      PHE  42  10.815  -6.087 -20.626
  320    HZ   PHE  42           HZ       PHE  42  12.257  -6.947 -18.833
  321    HA   PRO  43           HA       PRO  43   4.404  -0.529 -18.117
  322    HB2  PRO  43           HB2      PRO  43   3.067  -1.363 -20.394
  323    HB3  PRO  43           HB1      PRO  43   4.462  -0.275 -20.430
  324    HG2  PRO  43           HG2      PRO  43   4.389  -3.272 -20.817
  325    HG3  PRO  43           HG1      PRO  43   5.208  -2.043 -21.811
  326    HD2  PRO  43           HD2      PRO  43   6.585  -3.467 -20.005
  327    HD3  PRO  43           HD1      PRO  43   6.930  -1.734 -20.221
  328    H    SER  44           HN       SER  44   4.333  -3.968 -18.000
  329    HA   SER  44           HA       SER  44   1.822  -3.995 -16.516
  330    HB2  SER  44           HB2      SER  44   0.951  -5.905 -17.953
  331    HB3  SER  44           HB1      SER  44   0.999  -4.353 -18.776
  332    HG   SER  44           HG       SER  44   2.044  -5.477 -20.226
  333    H    LEU  45           HN       LEU  45   1.379  -6.202 -15.658
  334    HA   LEU  45           HA       LEU  45   3.809  -7.787 -15.098
  335    HB2  LEU  45           HB2      LEU  45   2.365  -7.171 -13.173
  336    HB3  LEU  45           HB1      LEU  45   0.991  -7.963 -13.925
  337    HG   LEU  45           HG       LEU  45   2.043 -10.174 -13.653
  338   HD11  LEU  45          HD11      LEU  45   4.179 -10.464 -12.478
  339   HD12  LEU  45          HD12      LEU  45   4.406  -8.715 -12.419
  340   HD13  LEU  45          HD13      LEU  45   4.393  -9.558 -13.973
  341   HD21  LEU  45          HD21      LEU  45   2.008 -10.365 -11.213
  342   HD22  LEU  45          HD22      LEU  45   0.707  -9.308 -11.754
  343   HD23  LEU  45          HD23      LEU  45   2.167  -8.613 -11.044
  344    H    LEU  46           HN       LEU  46   3.393  -7.890 -17.599
  345    HA   LEU  46           HA       LEU  46   2.308 -10.553 -18.237
  346    HB2  LEU  46           HB2      LEU  46   1.865  -8.044 -19.930
  347    HB3  LEU  46           HB1      LEU  46   1.468  -9.680 -20.437
  348    HG   LEU  46           HG       LEU  46   0.131  -8.235 -18.100
  349   HD11  LEU  46          HD11      LEU  46  -0.920  -8.684 -20.912
  350   HD12  LEU  46          HD12      LEU  46  -0.447  -7.133 -20.215
  351   HD13  LEU  46          HD13      LEU  46  -1.835  -8.002 -19.564
  352   HD21  LEU  46          HD21      LEU  46  -1.513 -10.070 -18.185
  353   HD22  LEU  46          HD22      LEU  46   0.103 -10.684 -17.842
  354   HD23  LEU  46          HD23      LEU  46  -0.583 -10.862 -19.460
  355    H    THR  47           HN       THR  47   3.920  -7.716 -19.617
  356    HA   THR  47           HA       THR  47   5.933  -8.964 -21.114
  357    HB   THR  47           HB       THR  47   7.165  -6.619 -20.571
  358    HG1  THR  47           HG1      THR  47   4.511  -5.824 -20.036
  359   HG21  THR  47          HG21      THR  47   5.854  -5.495 -22.316
  360   HG22  THR  47          HG22      THR  47   4.589  -6.715 -22.178
  361   HG23  THR  47          HG23      THR  47   6.185  -7.170 -22.775
  362    H    LEU  48           HN       LEU  48   5.879  -8.066 -17.678
  363    HA   LEU  48           HA       LEU  48   8.583  -8.677 -17.079
  364    HB2  LEU  48           HB2      LEU  48   7.091  -7.246 -15.686
  365    HB3  LEU  48           HB1      LEU  48   6.132  -8.646 -15.266
  366    HG   LEU  48           HG       LEU  48   7.794  -7.708 -13.492
  367   HD11  LEU  48          HD11      LEU  48   6.658  -9.834 -13.158
  368   HD12  LEU  48          HD12      LEU  48   8.303  -9.893 -12.532
  369   HD13  LEU  48          HD13      LEU  48   7.913 -10.675 -14.069
  370   HD21  LEU  48          HD21      LEU  48   9.830  -9.208 -15.168
  371   HD22  LEU  48          HD22      LEU  48  10.102  -8.519 -13.564
  372   HD23  LEU  48          HD23      LEU  48   9.764  -7.460 -14.926
  373    H    THR  49           HN       THR  49   5.649 -10.647 -17.176
  374    HA   THR  49           HA       THR  49   6.660 -12.988 -15.925
  375    HB   THR  49           HB       THR  49   4.415 -12.859 -17.993
  376    HG1  THR  49           HG1      THR  49   3.083 -12.585 -16.036
  377   HG21  THR  49          HG21      THR  49   3.495 -14.791 -16.752
  378   HG22  THR  49          HG22      THR  49   4.874 -14.762 -15.655
  379   HG23  THR  49          HG23      THR  49   5.117 -15.155 -17.358
  380    H    GLU  50           HN       GLU  50   6.238 -12.049 -19.293
  381    HA   GLU  50           HA       GLU  50   7.319 -14.269 -20.624
  382    HB2  GLU  50           HB2      GLU  50   7.256 -11.337 -21.447
  383    HB3  GLU  50           HB1      GLU  50   7.623 -12.671 -22.544
  384    HG2  GLU  50           HG2      GLU  50   5.397 -13.589 -22.290
  385    HG3  GLU  50           HG1      GLU  50   5.020 -12.441 -21.005
  386    H    HIS  51           HN       HIS  51   8.888 -11.255 -19.588
  387    HA   HIS  51           HA       HIS  51  11.496 -11.766 -20.545
  388    HB2  HIS  51           HB2      HIS  51  10.911  -9.509 -20.049
  389    HB3  HIS  51           HB1      HIS  51  10.331  -9.916 -18.439
  390    HD1  HIS  51           HD1      HIS  51  13.584  -9.453 -20.341
  391    HD2  HIS  51           HD2      HIS  51  12.168  -9.717 -16.447
  392    HE1  HIS  51           HE1      HIS  51  15.514  -8.835 -18.836
  393    H    LYS  52           HN       LYS  52   9.885 -12.613 -17.531
  394    HA   LYS  52           HA       LYS  52  12.113 -13.127 -15.888
  395    HB2  LYS  52           HB2      LYS  52   9.626 -12.784 -15.246
  396    HB3  LYS  52           HB1      LYS  52   9.389 -14.485 -15.617
  397    HG2  LYS  52           HG2      LYS  52  11.384 -13.502 -13.539
  398    HG3  LYS  52           HG1      LYS  52   9.699 -13.831 -13.145
  399    HD2  LYS  52           HD2      LYS  52  11.676 -15.883 -14.243
  400    HD3  LYS  52           HD1      LYS  52  11.219 -15.724 -12.543
  401    HE2  LYS  52           HE2      LYS  52   9.282 -16.384 -14.800
  402    HE3  LYS  52           HE1      LYS  52  10.024 -17.574 -13.733
  403    HZ1  LYS  52           HZ1      LYS  52   8.317 -15.347 -12.803
  404    HZ2  LYS  52           HZ2      LYS  52   8.918 -16.629 -11.876
  405    HZ3  LYS  52           HZ3      LYS  52   7.775 -16.920 -13.086
  406    H    VAL  53           HN       VAL  53  10.164 -15.338 -17.935
  407    HA   VAL  53           HA       VAL  53  11.622 -17.676 -17.065
  408    HB   VAL  53           HB       VAL  53  10.151 -18.890 -18.691
  409   HG11  VAL  53          HG11      VAL  53   8.689 -17.034 -16.775
  410   HG12  VAL  53          HG12      VAL  53   9.410 -18.592 -16.369
  411   HG13  VAL  53          HG13      VAL  53   8.027 -18.522 -17.460
  412   HG21  VAL  53          HG21      VAL  53   8.922 -16.151 -19.222
  413   HG22  VAL  53          HG22      VAL  53   8.282 -17.692 -19.798
  414   HG23  VAL  53          HG23      VAL  53   9.839 -17.117 -20.387
  415    H    THR  54           HN       THR  54  11.543 -15.676 -19.997
  416    HA   THR  54           HA       THR  54  13.463 -17.373 -21.422
  417    HB   THR  54           HB       THR  54  13.089 -15.825 -23.337
  418    HG1  THR  54           HG1      THR  54  11.005 -14.445 -22.222
  419   HG21  THR  54          HG21      THR  54  11.481 -17.702 -23.047
  420   HG22  THR  54          HG22      THR  54  10.701 -16.283 -23.747
  421   HG23  THR  54          HG23      THR  54  10.465 -16.666 -22.041
  422    H    HIS  55           HN       HIS  55  14.727 -16.372 -19.154
  423    HA   HIS  55           HA       HIS  55  15.373 -13.581 -19.316
  424    HB2  HIS  55           HB2      HIS  55  15.062 -15.116 -17.173
  425    HB3  HIS  55           HB1      HIS  55  16.770 -15.481 -17.400
  426    HD1  HIS  55           HD1      HIS  55  18.444 -13.371 -17.113
  427    HD2  HIS  55           HD2      HIS  55  14.464 -12.693 -16.197
  428    HE1  HIS  55           HE1      HIS  55  18.350 -11.118 -15.949
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  -4.707  26.617  -0.565
    2    H2   MET   1           HT2      MET   1  -4.720  24.985  -0.981
    3    H3   MET   1           HT3      MET   1  -3.515  25.994  -1.598
    4    HA   MET   1           HA       MET   1  -2.613  24.657   0.129
    5    HB2  MET   1           HB2      MET   1  -1.784  26.990  -0.114
    6    HB3  MET   1           HB1      MET   1  -2.989  27.547   1.036
    7    HG2  MET   1           HG2      MET   1  -1.917  26.109   2.777
    8    HG3  MET   1           HG1      MET   1  -0.654  25.707   1.609
    9    HE1  MET   1           HE1      MET   1   1.096  28.191   4.178
   10    HE2  MET   1           HE2      MET   1   1.119  26.560   3.514
   11    HE3  MET   1           HE3      MET   1  -0.193  27.052   4.583
   12    H    GLY   2           HN       GLY   2  -3.878  23.166   1.094
   13    HA2  GLY   2           HA2      GLY   2  -4.843  23.749   3.787
   14    HA3  GLY   2           HA1      GLY   2  -6.033  23.082   2.657
   15    H    SER   3           HN       SER   3  -3.157  22.398   4.515
   16    HA   SER   3           HA       SER   3  -2.433  20.067   2.947
   17    HB2  SER   3           HB2      SER   3  -1.054  21.361   5.342
   18    HB3  SER   3           HB1      SER   3  -0.377  20.124   4.279
   19    HG   SER   3           HG       SER   3  -1.267  22.646   3.351
   20    H    HIS   4           HN       HIS   4  -4.245  18.834   3.597
   21    HA   HIS   4           HA       HIS   4  -4.637  17.334   5.816
   22    HB2  HIS   4           HB2      HIS   4  -5.615  16.680   3.651
   23    HB3  HIS   4           HB1      HIS   4  -4.043  16.154   3.069
   24    HD1  HIS   4           HD1      HIS   4  -3.744  13.676   3.180
   25    HD2  HIS   4           HD2      HIS   4  -6.380  15.035   6.095
   26    HE1  HIS   4           HE1      HIS   4  -4.517  11.628   4.411
   27    HE2  HIS   4           HE2      HIS   4  -6.080  12.481   6.186
   28    H    LYS   5           HN       LYS   5  -3.464  16.046   7.183
   29    HA   LYS   5           HA       LYS   5  -0.566  16.272   6.993
   30    HB2  LYS   5           HB2      LYS   5  -1.858  16.968   9.046
   31    HB3  LYS   5           HB1      LYS   5  -2.272  15.279   9.320
   32    HG2  LYS   5           HG2      LYS   5   0.281  14.846   9.440
   33    HG3  LYS   5           HG1      LYS   5   0.465  16.600   9.494
   34    HD2  LYS   5           HD2      LYS   5   0.501  15.753  11.784
   35    HD3  LYS   5           HD1      LYS   5  -0.998  16.656  11.544
   36    HE2  LYS   5           HE2      LYS   5  -2.189  14.498  11.169
   37    HE3  LYS   5           HE1      LYS   5  -0.684  13.636  11.506
   38    HZ1  LYS   5           HZ1      LYS   5  -2.090  13.692  13.442
   39    HZ2  LYS   5           HZ2      LYS   5  -2.170  15.381  13.393
   40    HZ3  LYS   5           HZ3      LYS   5  -0.706  14.615  13.728
   41    H    CYS   6           HN       CYS   6   0.862  14.539   7.344
   42    HA   CYS   6           HA       CYS   6  -0.080  11.823   6.735
   43    HB2  CYS   6           HB2      CYS   6   1.903  12.743   5.489
   44    HB3  CYS   6           HB1      CYS   6   2.758  12.926   7.005
   45    H    ASN   7           HN       ASN   7  -0.812  10.850   8.631
   46    HA   ASN   7           HA       ASN   7  -0.154  11.403  11.263
   47    HB2  ASN   7           HB2      ASN   7  -2.091  10.021  10.596
   48    HB3  ASN   7           HB1      ASN   7  -1.017   8.735  10.063
   49   HD21  ASN   7          HD21      ASN   7  -2.393  10.331  12.862
   50   HD22  ASN   7          HD22      ASN   7  -1.923   9.130  14.011
   51    H    VAL   8           HN       VAL   8   1.376   8.958   9.155
   52    HA   VAL   8           HA       VAL   8   2.985   7.660  11.035
   53    HB   VAL   8           HB       VAL   8   3.574   8.050   8.063
   54   HG11  VAL   8          HG11      VAL   8   4.591   5.910   9.974
   55   HG12  VAL   8          HG12      VAL   8   5.556   7.187   9.228
   56   HG13  VAL   8          HG13      VAL   8   4.841   5.922   8.225
   57   HG21  VAL   8          HG21      VAL   8   1.340   7.119   8.435
   58   HG22  VAL   8          HG22      VAL   8   2.016   5.832   9.440
   59   HG23  VAL   8          HG23      VAL   8   2.413   5.919   7.717
   60    H    CYS   9           HN       CYS   9   4.081  10.105   8.664
   61    HA   CYS   9           HA       CYS   9   6.639  10.570   9.802
   62    HB2  CYS   9           HB2      CYS   9   4.926  12.335   8.019
   63    HB3  CYS   9           HB1      CYS   9   6.596  12.694   8.427
   64    H    SER  10           HN       SER  10   3.536  11.925  10.431
   65    HA   SER  10           HA       SER  10   2.581  13.348  11.883
   66    HB2  SER  10           HB2      SER  10   3.661  14.283  13.796
   67    HB3  SER  10           HB1      SER  10   4.441  12.723  13.558
   68    HG   SER  10           HG       SER  10   6.266  13.703  13.056
   69    H    ARG  11           HN       ARG  11   4.847  14.077   9.584
   70    HA   ARG  11           HA       ARG  11   4.534  16.976   9.562
   71    HB2  ARG  11           HB2      ARG  11   6.124  15.165   7.693
   72    HB3  ARG  11           HB1      ARG  11   6.245  16.918   7.785
   73    HG2  ARG  11           HG2      ARG  11   7.039  14.956   9.974
   74    HG3  ARG  11           HG1      ARG  11   8.144  15.846   8.921
   75    HD2  ARG  11           HD2      ARG  11   7.532  17.953   9.919
   76    HD3  ARG  11           HD1      ARG  11   6.182  17.222  10.796
   77    HE   ARG  11           HE       ARG  11   8.738  16.078  11.483
   78   HH11  ARG  11          HH11      ARG  11   6.556  18.741  12.205
   79   HH12  ARG  11          HH12      ARG  11   7.174  18.967  13.813
   80   HH21  ARG  11          HH21      ARG  11   9.510  16.389  13.618
   81   HH22  ARG  11          HH22      ARG  11   8.827  17.643  14.603
   82    H    THR  12           HN       THR  12   4.446  17.658   6.964
   83    HA   THR  12           HA       THR  12   2.267  16.298   5.584
   84    HB   THR  12           HB       THR  12   1.043  17.694   7.224
   85    HG1  THR  12           HG1      THR  12  -0.406  18.192   5.742
   86   HG21  THR  12          HG21      THR  12   1.056  20.167   7.072
   87   HG22  THR  12          HG22      THR  12   2.355  20.089   5.883
   88   HG23  THR  12          HG23      THR  12   2.643  19.550   7.539
   89    H    PHE  13           HN       PHE  13   1.780  17.272   3.483
   90    HA   PHE  13           HA       PHE  13   4.202  18.342   2.192
   91    HB2  PHE  13           HB2      PHE  13   2.727  16.248   1.405
   92    HB3  PHE  13           HB1      PHE  13   1.695  17.471   0.697
   93    HD1  PHE  13           HD1      PHE  13   2.735  19.069  -1.042
   94    HD2  PHE  13           HD2      PHE  13   4.707  15.526   0.286
   95    HE1  PHE  13           HE1      PHE  13   4.136  19.102  -3.057
   96    HE2  PHE  13           HE2      PHE  13   6.110  15.565  -1.726
   97    HZ   PHE  13           HZ       PHE  13   5.834  17.349  -3.407
   98    H    PHE  14           HN       PHE  14   4.041  20.219   0.778
   99    HA   PHE  14           HA       PHE  14   2.463  22.351   1.853
  100    HB2  PHE  14           HB2      PHE  14   4.143  22.310  -0.695
  101    HB3  PHE  14           HB1      PHE  14   3.587  23.749   0.155
  102    HD1  PHE  14           HD2      PHE  14   4.536  24.310   2.426
  103    HD2  PHE  14           HD1      PHE  14   6.104  21.104   0.068
  104    HE1  PHE  14           HE2      PHE  14   6.577  24.287   3.794
  105    HE2  PHE  14           HE1      PHE  14   8.133  21.085   1.454
  106    HZ   PHE  14           HZ       PHE  14   8.371  22.679   3.314
  107    H    SER  15           HN       SER  15   2.133  20.263  -0.876
  108    HA   SER  15           HA       SER  15  -0.350  21.516  -1.816
  109    HB2  SER  15           HB2      SER  15   1.203  20.940  -3.609
  110    HB3  SER  15           HB1      SER  15   1.379  19.300  -2.991
  111    HG   SER  15           HG       SER  15  -0.927  20.476  -4.156
  112    H    GLU  16           HN       GLU  16  -2.246  20.263  -1.945
  113    HA   GLU  16           HA       GLU  16  -2.685  18.400   0.230
  114    HB2  GLU  16           HB2      GLU  16  -5.040  18.481  -0.359
  115    HB3  GLU  16           HB1      GLU  16  -4.406  20.116  -0.318
  116    HG2  GLU  16           HG2      GLU  16  -4.903  18.523  -2.855
  117    HG3  GLU  16           HG1      GLU  16  -6.041  19.665  -2.160
  118    H    ASN  17           HN       ASN  17  -2.388  18.351  -3.265
  119    HA   ASN  17           HA       ASN  17  -3.202  15.592  -3.657
  120    HB2  ASN  17           HB2      ASN  17  -1.719  17.480  -5.537
  121    HB3  ASN  17           HB1      ASN  17  -2.453  15.943  -5.990
  122   HD21  ASN  17          HD21      ASN  17  -2.966  18.645  -6.993
  123   HD22  ASN  17          HD22      ASN  17  -4.642  18.954  -6.724
  124    H    GLY  18           HN       GLY  18  -0.216  17.451  -3.620
  125    HA2  GLY  18           HA2      GLY  18   1.752  15.596  -4.030
  126    HA3  GLY  18           HA1      GLY  18   1.922  16.936  -2.913
  127    H    LEU  19           HN       LEU  19   0.029  16.099  -0.961
  128    HA   LEU  19           HA       LEU  19   1.491  14.221   0.587
  129    HB2  LEU  19           HB2      LEU  19  -0.071  16.140   1.342
  130    HB3  LEU  19           HB1      LEU  19  -1.391  15.048   1.087
  131    HG   LEU  19           HG       LEU  19  -0.636  15.295   3.495
  132   HD11  LEU  19          HD11      LEU  19  -0.533  12.451   2.489
  133   HD12  LEU  19          HD12      LEU  19  -1.989  13.366   2.888
  134   HD13  LEU  19          HD13      LEU  19  -0.829  12.966   4.156
  135   HD21  LEU  19          HD21      LEU  19   1.811  13.751   2.610
  136   HD22  LEU  19          HD22      LEU  19   1.367  14.130   4.277
  137   HD23  LEU  19          HD23      LEU  19   1.769  15.429   3.159
  138    H    ARG  20           HN       ARG  20  -1.432  13.973  -1.378
  139    HA   ARG  20           HA       ARG  20  -2.210  11.324  -0.770
  140    HB2  ARG  20           HB2      ARG  20  -2.642  12.920  -3.315
  141    HB3  ARG  20           HB1      ARG  20  -3.373  11.344  -3.005
  142    HG2  ARG  20           HG2      ARG  20  -4.319  12.402  -0.847
  143    HG3  ARG  20           HG1      ARG  20  -3.866  13.952  -1.555
  144    HD2  ARG  20           HD2      ARG  20  -5.652  11.938  -2.926
  145    HD3  ARG  20           HD1      ARG  20  -6.265  13.228  -1.895
  146    HE   ARG  20           HE       ARG  20  -4.874  14.665  -3.626
  147   HH11  ARG  20          HH11      ARG  20  -6.972  11.938  -4.362
  148   HH12  ARG  20          HH12      ARG  20  -7.551  12.631  -5.840
  149   HH21  ARG  20          HH21      ARG  20  -5.670  15.555  -5.561
  150   HH22  ARG  20          HH22      ARG  20  -6.828  14.678  -6.501
  151    H    GLU  21           HN       GLU  21   0.029  12.526  -3.292
  152    HA   GLU  21           HA       GLU  21   0.789   9.986  -4.294
  153    HB2  GLU  21           HB2      GLU  21   1.165  12.098  -5.546
  154    HB3  GLU  21           HB1      GLU  21   2.333  12.614  -4.331
  155    HG2  GLU  21           HG2      GLU  21   3.779  10.659  -4.928
  156    HG3  GLU  21           HG1      GLU  21   2.634  10.231  -6.199
  157    H    HIS  22           HN       HIS  22   2.136  12.107  -1.821
  158    HA   HIS  22           HA       HIS  22   4.403  10.656  -1.036
  159    HB2  HIS  22           HB2      HIS  22   4.179  12.949  -0.348
  160    HB3  HIS  22           HB1      HIS  22   2.647  12.646   0.449
  161    HD1  HIS  22           HD1      HIS  22   6.368  12.257   0.983
  162    HD2  HIS  22           HD2      HIS  22   2.796  11.701   3.019
  163    HE1  HIS  22           HE1      HIS  22   6.985  11.768   3.386
  164    H    LEU  23           HN       LEU  23   1.033  10.038  -0.384
  165    HA   LEU  23           HA       LEU  23   1.280   8.665   2.104
  166    HB2  LEU  23           HB2      LEU  23  -0.749   9.815   1.303
  167    HB3  LEU  23           HB1      LEU  23  -0.921   8.654   0.004
  168    HG   LEU  23           HG       LEU  23  -0.955   7.582   2.830
  169   HD11  LEU  23          HD11      LEU  23  -2.405   9.561   2.998
  170   HD12  LEU  23          HD12      LEU  23  -3.343   8.075   3.120
  171   HD13  LEU  23          HD13      LEU  23  -3.348   8.999   1.612
  172   HD21  LEU  23          HD21      LEU  23  -2.574   6.878   0.361
  173   HD22  LEU  23          HD22      LEU  23  -2.606   6.021   1.906
  174   HD23  LEU  23          HD23      LEU  23  -1.139   6.028   0.938
  175    H    GLN  24           HN       GLN  24   1.979   7.742  -1.153
  176    HA   GLN  24           HA       GLN  24   1.288   4.971  -1.027
  177    HB2  GLN  24           HB2      GLN  24   2.989   6.556  -2.965
  178    HB3  GLN  24           HB1      GLN  24   2.552   4.866  -3.190
  179    HG2  GLN  24           HG2      GLN  24   0.570   7.151  -3.000
  180    HG3  GLN  24           HG1      GLN  24   1.160   6.446  -4.483
  181   HE21  GLN  24          HE21      GLN  24  -0.786   5.686  -5.249
  182   HE22  GLN  24          HE22      GLN  24  -1.724   4.458  -4.481
  183    H    THR  25           HN       THR  25   4.011   6.839  -0.066
  184    HA   THR  25           HA       THR  25   6.030   4.809  -0.092
  185    HB   THR  25           HB       THR  25   7.391   6.368   1.210
  186    HG1  THR  25           HG1      THR  25   5.531   8.375   1.432
  187   HG21  THR  25          HG21      THR  25   5.714   7.924  -0.787
  188   HG22  THR  25          HG22      THR  25   7.108   6.918  -1.196
  189   HG23  THR  25          HG23      THR  25   7.317   8.372  -0.215
  190    H    HIS  26           HN       HIS  26   3.285   5.039   1.837
  191    HA   HIS  26           HA       HIS  26   4.542   3.730   4.192
  192    HB2  HIS  26           HB2      HIS  26   2.131   5.589   4.183
  193    HB3  HIS  26           HB1      HIS  26   2.810   4.793   5.601
  194    HD1  HIS  26           HD1      HIS  26   5.470   5.540   6.038
  195    HD2  HIS  26           HD2      HIS  26   3.065   8.045   3.780
  196    HE1  HIS  26           HE1      HIS  26   6.552   7.811   6.112
  197    H    ARG  27           HN       ARG  27   2.755   3.003   1.589
  198    HA   ARG  27           HA       ARG  27   0.527   1.582   2.448
  199    HB2  ARG  27           HB2      ARG  27   2.441   0.862   0.194
  200    HB3  ARG  27           HB1      ARG  27   0.827   0.182   0.397
  201    HG2  ARG  27           HG2      ARG  27   1.432   3.118  -0.064
  202    HG3  ARG  27           HG1      ARG  27   0.927   1.980  -1.311
  203    HD2  ARG  27           HD2      ARG  27  -0.735   2.679   1.135
  204    HD3  ARG  27           HD1      ARG  27  -0.929   3.430  -0.449
  205    HE   ARG  27           HE       ARG  27  -1.480   0.601   0.212
  206   HH11  ARG  27          HH11      ARG  27  -1.869   3.286  -2.014
  207   HH12  ARG  27          HH12      ARG  27  -3.098   2.496  -2.943
  208   HH21  ARG  27          HH21      ARG  27  -3.089  -0.425  -1.015
  209   HH22  ARG  27          HH22      ARG  27  -3.795   0.396  -2.372
  210    H    GLY  28           HN       GLY  28   3.883   0.453   2.198
  211    HA2  GLY  28           HA2      GLY  28   3.802  -1.058   4.580
  212    HA3  GLY  28           HA1      GLY  28   3.604  -2.148   3.207
  213    HA   PRO  29           HA       PRO  29   8.250  -1.314   3.731
  214    HB2  PRO  29           HB2      PRO  29   8.419  -4.200   4.472
  215    HB3  PRO  29           HB1      PRO  29   9.137  -2.798   5.272
  216    HG2  PRO  29           HG2      PRO  29   7.067  -4.140   6.379
  217    HG3  PRO  29           HG1      PRO  29   7.236  -2.379   6.556
  218    HD2  PRO  29           HD2      PRO  29   5.477  -3.936   4.649
  219    HD3  PRO  29           HD1      PRO  29   5.072  -2.521   5.656
  220    H    ALA  30           HN       ALA  30   9.674  -1.903   2.082
  221    HA   ALA  30           HA       ALA  30   8.565  -3.546  -0.125
  222    HB1  ALA  30           HB1      ALA  30   8.747  -1.148  -0.669
  223    HB2  ALA  30           HB2      ALA  30   9.879  -2.094  -1.632
  224    HB3  ALA  30           HB3      ALA  30  10.461  -1.165  -0.250
  225    H    LYS  31           HN       LYS  31   9.461  -5.493   0.640
  226    HA   LYS  31           HA       LYS  31  12.266  -5.950   0.150
  227    HB2  LYS  31           HB2      LYS  31  12.820  -6.753   2.420
  228    HB3  LYS  31           HB1      LYS  31  12.436  -5.036   2.407
  229    HG2  LYS  31           HG2      LYS  31  10.230  -5.477   3.356
  230    HG3  LYS  31           HG1      LYS  31  10.509  -7.219   3.261
  231    HD2  LYS  31           HD2      LYS  31  12.402  -6.977   4.863
  232    HD3  LYS  31           HD1      LYS  31  12.052  -5.249   4.988
  233    HE2  LYS  31           HE2      LYS  31   9.813  -5.773   5.893
  234    HE3  LYS  31           HE1      LYS  31  10.160  -7.501   5.766
  235    HZ1  LYS  31           HZ1      LYS  31  11.977  -7.204   7.332
  236    HZ2  LYS  31           HZ2      LYS  31  10.519  -6.671   8.010
  237    HZ3  LYS  31           HZ3      LYS  31  11.642  -5.550   7.447
  238    H    HIS  32           HN       HIS  32   9.939  -6.946  -1.013
  239    HA   HIS  32           HA       HIS  32   9.503  -9.687   0.026
  240    HB2  HIS  32           HB2      HIS  32   7.972  -8.121  -2.107
  241    HB3  HIS  32           HB1      HIS  32   7.555  -9.728  -1.524
  242    HD1  HIS  32           HD1      HIS  32   6.114  -9.856   0.551
  243    HD2  HIS  32           HD2      HIS  32   7.481  -6.009  -0.218
  244    HE1  HIS  32           HE1      HIS  32   4.837  -8.357   2.105
  245    HE2  HIS  32           HE2      HIS  32   5.817  -6.071   1.745
  246    H    TYR  33           HN       TYR  33  12.029  -9.272  -1.106
  247    HA   TYR  33           HA       TYR  33  11.961  -9.666  -3.982
  248    HB2  TYR  33           HB2      TYR  33  14.303  -9.356  -2.046
  249    HB3  TYR  33           HB1      TYR  33  14.440  -9.417  -3.805
  250    HD1  TYR  33           HD2      TYR  33  12.950  -7.625  -5.117
  251    HD2  TYR  33           HD1      TYR  33  14.139  -7.204  -1.041
  252    HE1  TYR  33           HE2      TYR  33  12.572  -5.207  -5.251
  253    HE2  TYR  33           HE1      TYR  33  13.754  -4.779  -1.183
  254    HH   TYR  33           HH       TYR  33  12.090  -3.337  -3.741
  255    H    MET  34           HN       MET  34  11.765 -11.614  -4.777
  256    HA   MET  34           HA       MET  34  12.651 -13.992  -3.248
  257    HB2  MET  34           HB2      MET  34  10.157 -13.549  -3.271
  258    HB3  MET  34           HB1      MET  34  10.173 -13.748  -5.015
  259    HG2  MET  34           HG2      MET  34  10.878 -16.071  -4.776
  260    HG3  MET  34           HG1      MET  34  10.990 -15.885  -3.024
  261    HE1  MET  34           HE1      MET  34   8.294 -14.003  -2.601
  262    HE2  MET  34           HE2      MET  34   8.840 -15.275  -1.507
  263    HE3  MET  34           HE3      MET  34   7.183 -15.281  -2.113
  264    H    CYS  35           HN       CYS  35  13.568 -15.640  -4.409
  265    HA   CYS  35           HA       CYS  35  15.182 -15.021  -6.589
  266    HB2  CYS  35           HB2      CYS  35  15.892 -16.747  -5.115
  267    HB3  CYS  35           HB1      CYS  35  14.411 -17.627  -5.288
  268    HA   PRO  36           HA       PRO  36  12.415 -15.641 -10.126
  269    HB2  PRO  36           HB2      PRO  36  15.022 -16.018 -11.595
  270    HB3  PRO  36           HB1      PRO  36  13.675 -14.927 -11.959
  271    HG2  PRO  36           HG2      PRO  36  15.916 -13.949 -10.900
  272    HG3  PRO  36           HG1      PRO  36  14.337 -13.363 -10.329
  273    HD2  PRO  36           HD2      PRO  36  16.194 -15.371  -9.041
  274    HD3  PRO  36           HD1      PRO  36  15.312 -14.017  -8.298
  275    H    ILE  37           HN       ILE  37  15.238 -17.867  -9.699
  276    HA   ILE  37           HA       ILE  37  14.016 -19.887 -11.382
  277    HB   ILE  37           HB       ILE  37  16.609 -19.953  -9.788
  278   HG12  ILE  37          HG12      ILE  37  16.189 -19.324 -12.755
  279   HG13  ILE  37          HG11      ILE  37  16.518 -18.121 -11.514
  280   HG21  ILE  37          HG21      ILE  37  17.263 -21.804 -11.307
  281   HG22  ILE  37          HG22      ILE  37  15.656 -21.769 -12.037
  282   HG23  ILE  37          HG23      ILE  37  15.848 -22.218 -10.342
  283   HD11  ILE  37          HD11      ILE  37  18.709 -19.124 -11.112
  284   HD12  ILE  37          HD12      ILE  37  18.501 -18.630 -12.792
  285   HD13  ILE  37          HD13      ILE  37  18.383 -20.336 -12.358
  286    H    CYS  38           HN       CYS  38  15.058 -19.876  -7.887
  287    HA   CYS  38           HA       CYS  38  13.192 -22.105  -7.447
  288    HB2  CYS  38           HB2      CYS  38  14.789 -23.174  -5.991
  289    HB3  CYS  38           HB1      CYS  38  15.468 -22.941  -7.574
  290    H    GLY  39           HN       GLY  39  13.514 -18.971  -6.603
  291    HA2  GLY  39           HA2      GLY  39  12.187 -17.724  -5.345
  292    HA3  GLY  39           HA1      GLY  39  11.163 -19.136  -5.165
  293    H    GLU  40           HN       GLU  40  14.418 -18.793  -3.752
  294    HA   GLU  40           HA       GLU  40  13.597 -18.697  -1.052
  295    HB2  GLU  40           HB2      GLU  40  16.192 -17.737  -2.354
  296    HB3  GLU  40           HB1      GLU  40  15.936 -17.868  -0.622
  297    HG2  GLU  40           HG2      GLU  40  17.232 -19.732  -1.430
  298    HG3  GLU  40           HG1      GLU  40  15.685 -20.295  -0.815
  299    H    ARG  41           HN       ARG  41  12.847 -17.010   0.122
  300    HA   ARG  41           HA       ARG  41  12.757 -14.308  -1.033
  301    HB2  ARG  41           HB2      ARG  41  11.149 -13.706   0.642
  302    HB3  ARG  41           HB1      ARG  41  10.677 -15.271   0.011
  303    HG2  ARG  41           HG2      ARG  41  12.123 -14.900   2.653
  304    HG3  ARG  41           HG1      ARG  41  10.369 -14.938   2.497
  305    HD2  ARG  41           HD2      ARG  41  10.547 -17.231   1.539
  306    HD3  ARG  41           HD1      ARG  41  12.289 -17.184   1.822
  307    HE   ARG  41           HE       ARG  41  11.217 -16.657   4.271
  308   HH11  ARG  41          HH11      ARG  41  10.833 -19.282   1.976
  309   HH12  ARG  41          HH12      ARG  41  10.445 -20.458   3.191
  310   HH21  ARG  41          HH21      ARG  41  10.691 -18.218   5.868
  311   HH22  ARG  41          HH22      ARG  41  10.369 -19.861   5.402
  312    H    PHE  42           HN       PHE  42  14.071 -12.715  -0.424
  313    HA   PHE  42           HA       PHE  42  15.791 -13.011   1.961
  314    HB2  PHE  42           HB2      PHE  42  16.500 -12.107  -0.848
  315    HB3  PHE  42           HB1      PHE  42  17.452 -11.583   0.528
  316    HD1  PHE  42           HD1      PHE  42  16.527 -14.514  -1.525
  317    HD2  PHE  42           HD2      PHE  42  18.915 -13.112   1.733
  318    HE1  PHE  42           HE1      PHE  42  17.848 -16.572  -1.599
  319    HE2  PHE  42           HE2      PHE  42  20.240 -15.184   1.648
  320    HZ   PHE  42           HZ       PHE  42  19.706 -16.918  -0.018
  321    HA   PRO  43           HA       PRO  43  14.204  -9.165   3.420
  322    HB2  PRO  43           HB2      PRO  43  16.351  -8.031   4.709
  323    HB3  PRO  43           HB1      PRO  43  15.513  -9.462   5.325
  324    HG2  PRO  43           HG2      PRO  43  18.017  -9.332   3.639
  325    HG3  PRO  43           HG1      PRO  43  17.749 -10.235   5.147
  326    HD2  PRO  43           HD2      PRO  43  17.561 -11.467   2.783
  327    HD3  PRO  43           HD1      PRO  43  16.402 -11.853   4.078
  328    H    SER  44           HN       SER  44  16.762  -9.044   1.041
  329    HA   SER  44           HA       SER  44  15.950  -6.347   0.278
  330    HB2  SER  44           HB2      SER  44  18.332  -5.513   0.262
  331    HB3  SER  44           HB1      SER  44  17.711  -5.821   1.872
  332    HG   SER  44           HG       SER  44  19.575  -6.868   1.967
  333    H    LEU  45           HN       LEU  45  16.866  -5.656  -1.717
  334    HA   LEU  45           HA       LEU  45  17.455  -7.780  -3.651
  335    HB2  LEU  45           HB2      LEU  45  15.815  -5.730  -3.950
  336    HB3  LEU  45           HB1      LEU  45  17.269  -4.830  -4.309
  337    HG   LEU  45           HG       LEU  45  15.927  -5.678  -6.308
  338   HD11  LEU  45          HD11      LEU  45  17.861  -6.263  -7.696
  339   HD12  LEU  45          HD12      LEU  45  18.835  -6.518  -6.246
  340   HD13  LEU  45          HD13      LEU  45  18.221  -4.910  -6.625
  341   HD21  LEU  45          HD21      LEU  45  15.361  -7.901  -5.457
  342   HD22  LEU  45          HD22      LEU  45  17.059  -8.382  -5.546
  343   HD23  LEU  45          HD23      LEU  45  16.167  -7.997  -7.022
  344    H    LEU  46           HN       LEU  46  19.329  -7.946  -2.067
  345    HA   LEU  46           HA       LEU  46  21.777  -6.861  -3.196
  346    HB2  LEU  46           HB2      LEU  46  21.154  -6.745  -0.192
  347    HB3  LEU  46           HB1      LEU  46  22.714  -6.380  -0.914
  348    HG   LEU  46           HG       LEU  46  20.188  -4.729  -1.338
  349   HD11  LEU  46          HD11      LEU  46  21.206  -3.061   0.161
  350   HD12  LEU  46          HD12      LEU  46  22.553  -4.163   0.474
  351   HD13  LEU  46          HD13      LEU  46  20.923  -4.591   0.999
  352   HD21  LEU  46          HD21      LEU  46  21.748  -4.533  -3.211
  353   HD22  LEU  46          HD22      LEU  46  23.071  -4.157  -2.101
  354   HD23  LEU  46          HD23      LEU  46  21.712  -3.044  -2.271
  355    H    THR  47           HN       THR  47  20.366  -8.632  -0.483
  356    HA   THR  47           HA       THR  47  22.183 -10.815  -0.432
  357    HB   THR  47           HB       THR  47  20.372 -11.796   1.123
  358    HG1  THR  47           HG1      THR  47  19.113  -9.348   1.328
  359   HG21  THR  47          HG21      THR  47  22.243 -10.468   2.051
  360   HG22  THR  47          HG22      THR  47  20.743 -10.136   2.925
  361   HG23  THR  47          HG23      THR  47  21.348  -8.975   1.737
  362    H    LEU  48           HN       LEU  48  18.929 -10.376  -1.812
  363    HA   LEU  48           HA       LEU  48  18.519 -12.937  -2.859
  364    HB2  LEU  48           HB2      LEU  48  16.849 -11.028  -2.629
  365    HB3  LEU  48           HB1      LEU  48  17.557 -10.296  -4.052
  366    HG   LEU  48           HG       LEU  48  15.346 -11.586  -4.364
  367   HD11  LEU  48          HD11      LEU  48  17.629 -12.451  -6.161
  368   HD12  LEU  48          HD12      LEU  48  16.700 -10.956  -6.310
  369   HD13  LEU  48          HD13      LEU  48  15.903 -12.512  -6.545
  370   HD21  LEU  48          HD21      LEU  48  15.869 -13.524  -2.959
  371   HD22  LEU  48          HD22      LEU  48  17.145 -14.017  -4.079
  372   HD23  LEU  48          HD23      LEU  48  15.460 -14.018  -4.599
  373    H    THR  49           HN       THR  49  20.090 -10.095  -4.253
  374    HA   THR  49           HA       THR  49  20.735 -11.136  -6.778
  375    HB   THR  49           HB       THR  49  22.322  -9.018  -5.258
  376    HG1  THR  49           HG1      THR  49  20.833  -7.551  -6.210
  377   HG21  THR  49          HG21      THR  49  22.767  -8.125  -7.523
  378   HG22  THR  49          HG22      THR  49  21.875  -9.469  -8.238
  379   HG23  THR  49          HG23      THR  49  23.378  -9.772  -7.358
  380    H    GLU  50           HN       GLU  50  22.542 -11.123  -3.747
  381    HA   GLU  50           HA       GLU  50  24.955 -12.311  -4.561
  382    HB2  GLU  50           HB2      GLU  50  23.525 -12.441  -1.879
  383    HB3  GLU  50           HB1      GLU  50  25.147 -13.089  -2.135
  384    HG2  GLU  50           HG2      GLU  50  25.947 -10.830  -2.725
  385    HG3  GLU  50           HG1      GLU  50  24.328 -10.188  -2.479
  386    H    HIS  51           HN       HIS  51  21.927 -13.812  -3.443
  387    HA   HIS  51           HA       HIS  51  22.740 -16.516  -3.642
  388    HB2  HIS  51           HB2      HIS  51  20.768 -16.028  -2.372
  389    HB3  HIS  51           HB1      HIS  51  20.024 -15.149  -3.703
  390    HD1  HIS  51           HD1      HIS  51  21.095 -18.750  -2.960
  391    HD2  HIS  51           HD2      HIS  51  18.231 -16.612  -5.070
  392    HE1  HIS  51           HE1      HIS  51  19.588 -20.458  -4.043
  393    H    LYS  52           HN       LYS  52  21.294 -14.284  -5.945
  394    HA   LYS  52           HA       LYS  52  20.593 -16.153  -7.938
  395    HB2  LYS  52           HB2      LYS  52  19.541 -13.934  -7.662
  396    HB3  LYS  52           HB1      LYS  52  21.042 -13.156  -8.160
  397    HG2  LYS  52           HG2      LYS  52  20.834 -14.152 -10.398
  398    HG3  LYS  52           HG1      LYS  52  19.385 -15.020  -9.891
  399    HD2  LYS  52           HD2      LYS  52  18.787 -13.035 -11.218
  400    HD3  LYS  52           HD1      LYS  52  18.190 -12.895  -9.564
  401    HE2  LYS  52           HE2      LYS  52  20.017 -11.369  -8.998
  402    HE3  LYS  52           HE1      LYS  52  20.717 -11.572 -10.607
  403    HZ1  LYS  52           HZ1      LYS  52  19.450  -9.525 -10.449
  404    HZ2  LYS  52           HZ2      LYS  52  18.072 -10.378  -9.994
  405    HZ3  LYS  52           HZ3      LYS  52  18.713 -10.582 -11.544
  406    H    VAL  53           HN       VAL  53  23.512 -14.169  -7.482
  407    HA   VAL  53           HA       VAL  53  24.645 -14.847 -10.035
  408    HB   VAL  53           HB       VAL  53  26.654 -13.666  -9.259
  409   HG11  VAL  53          HG11      VAL  53  24.827 -12.327 -10.205
  410   HG12  VAL  53          HG12      VAL  53  25.676 -11.413  -8.961
  411   HG13  VAL  53          HG13      VAL  53  24.110 -12.139  -8.600
  412   HG21  VAL  53          HG21      VAL  53  26.723 -14.335  -6.898
  413   HG22  VAL  53          HG22      VAL  53  25.259 -13.400  -6.569
  414   HG23  VAL  53          HG23      VAL  53  26.752 -12.578  -7.036
  415    H    THR  54           HN       THR  54  24.814 -16.169  -6.815
  416    HA   THR  54           HA       THR  54  26.943 -18.073  -7.472
  417    HB   THR  54           HB       THR  54  26.551 -18.935  -5.127
  418    HG1  THR  54           HG1      THR  54  25.098 -16.763  -4.318
  419   HG21  THR  54          HG21      THR  54  27.041 -15.939  -5.335
  420   HG22  THR  54          HG22      THR  54  28.263 -17.197  -5.528
  421   HG23  THR  54          HG23      THR  54  27.479 -16.965  -3.967
  422    H    HIS  55           HN       HIS  55  23.957 -18.026  -8.568
  423    HA   HIS  55           HA       HIS  55  22.824 -20.507  -7.907
  424    HB2  HIS  55           HB2      HIS  55  22.171 -18.338  -9.669
  425    HB3  HIS  55           HB1      HIS  55  22.137 -19.780 -10.665
  426    HD1  HIS  55           HD1      HIS  55  20.426 -21.626  -9.967
  427    HD2  HIS  55           HD2      HIS  55  20.079 -18.058  -7.893
  428    HE1  HIS  55           HE1      HIS  55  18.226 -21.733  -8.763
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -10.086  23.444  10.833
    2    H2   MET   1           HT2      MET   1  -8.949  22.661   9.860
    3    H3   MET   1           HT3      MET   1  -9.814  21.789  11.017
    4    HA   MET   1           HA       MET   1 -11.859  22.161   9.858
    5    HB2  MET   1           HB2      MET   1 -11.337  24.339   8.875
    6    HB3  MET   1           HB1      MET   1 -10.084  23.636   7.865
    7    HG2  MET   1           HG2      MET   1 -11.780  22.393   6.601
    8    HG3  MET   1           HG1      MET   1 -13.051  23.031   7.642
    9    HE1  MET   1           HE1      MET   1 -12.112  26.117   8.005
   10    HE2  MET   1           HE2      MET   1 -13.772  25.604   7.692
   11    HE3  MET   1           HE3      MET   1 -13.030  26.849   6.691
   12    H    GLY   2           HN       GLY   2  -8.876  21.720   7.928
   13    HA2  GLY   2           HA2      GLY   2  -9.493  18.863   7.504
   14    HA3  GLY   2           HA1      GLY   2  -9.278  19.902   6.097
   15    H    SER   3           HN       SER   3  -7.680  17.695   7.797
   16    HA   SER   3           HA       SER   3  -5.038  18.989   7.423
   17    HB2  SER   3           HB2      SER   3  -5.814  16.943   9.554
   18    HB3  SER   3           HB1      SER   3  -4.192  17.589   9.286
   19    HG   SER   3           HG       SER   3  -5.918  19.623   9.526
   20    H    HIS   4           HN       HIS   4  -4.864  18.199   5.387
   21    HA   HIS   4           HA       HIS   4  -4.384  15.327   4.988
   22    HB2  HIS   4           HB2      HIS   4  -4.067  17.683   3.069
   23    HB3  HIS   4           HB1      HIS   4  -3.691  16.010   2.654
   24    HD1  HIS   4           HD1      HIS   4  -5.663  14.434   2.182
   25    HD2  HIS   4           HD2      HIS   4  -6.853  18.226   3.372
   26    HE1  HIS   4           HE1      HIS   4  -8.128  14.538   1.748
   27    HE2  HIS   4           HE2      HIS   4  -8.808  16.861   2.425
   28    H    LYS   5           HN       LYS   5  -2.923  15.371   6.782
   29    HA   LYS   5           HA       LYS   5  -0.140  16.057   6.043
   30    HB2  LYS   5           HB2      LYS   5  -0.917  17.681   7.719
   31    HB3  LYS   5           HB1      LYS   5  -1.496  16.389   8.759
   32    HG2  LYS   5           HG2      LYS   5   0.817  15.620   9.138
   33    HG3  LYS   5           HG1      LYS   5   1.422  16.873   8.056
   34    HD2  LYS   5           HD2      LYS   5  -0.038  17.352  10.681
   35    HD3  LYS   5           HD1      LYS   5   1.699  17.495  10.425
   36    HE2  LYS   5           HE2      LYS   5   1.305  19.329   8.810
   37    HE3  LYS   5           HE1      LYS   5  -0.430  19.204   9.100
   38    HZ1  LYS   5           HZ1      LYS   5   0.556  20.977  10.396
   39    HZ2  LYS   5           HZ2      LYS   5   1.616  19.895  11.135
   40    HZ3  LYS   5           HZ3      LYS   5  -0.047  19.775  11.415
   41    H    CYS   6           HN       CYS   6   1.248  14.343   6.271
   42    HA   CYS   6           HA       CYS   6   0.262  11.750   6.918
   43    HB2  CYS   6           HB2      CYS   6   2.139  12.158   5.314
   44    HB3  CYS   6           HB1      CYS   6   3.135  12.708   6.637
   45    H    ASN   7           HN       ASN   7  -0.476  11.705   9.046
   46    HA   ASN   7           HA       ASN   7   0.726  12.643  11.365
   47    HB2  ASN   7           HB2      ASN   7  -1.560  11.871  11.393
   48    HB3  ASN   7           HB1      ASN   7  -1.091  10.252  10.883
   49   HD21  ASN   7          HD21      ASN   7  -0.336   8.802  12.447
   50   HD22  ASN   7          HD22      ASN   7  -0.395   9.127  14.143
   51    H    VAL   8           HN       VAL   8   1.384   9.660   9.613
   52    HA   VAL   8           HA       VAL   8   2.780   8.172  11.534
   53    HB   VAL   8           HB       VAL   8   3.419   8.140   8.544
   54   HG11  VAL   8          HG11      VAL   8   5.003   6.834   9.893
   55   HG12  VAL   8          HG12      VAL   8   4.008   5.760   8.905
   56   HG13  VAL   8          HG13      VAL   8   3.674   5.944  10.631
   57   HG21  VAL   8          HG21      VAL   8   0.993   7.962   8.829
   58   HG22  VAL   8          HG22      VAL   8   1.202   6.636   9.982
   59   HG23  VAL   8          HG23      VAL   8   1.666   6.424   8.291
   60    H    CYS   9           HN       CYS   9   4.082  10.431   9.104
   61    HA   CYS   9           HA       CYS   9   6.772  10.423  10.237
   62    HB2  CYS   9           HB2      CYS   9   5.546  12.093   8.025
   63    HB3  CYS   9           HB1      CYS   9   7.244  12.114   8.464
   64    H    SER  10           HN       SER  10   3.938  12.386  10.267
   65    HA   SER  10           HA       SER  10   3.140  14.140  11.409
   66    HB2  SER  10           HB2      SER  10   4.343  13.294  13.405
   67    HB3  SER  10           HB1      SER  10   5.774  14.203  12.936
   68    HG   SER  10           HG       SER  10   3.653  15.845  12.997
   69    H    ARG  11           HN       ARG  11   5.204  14.216   9.046
   70    HA   ARG  11           HA       ARG  11   6.003  17.002   9.009
   71    HB2  ARG  11           HB2      ARG  11   7.453  15.176   8.151
   72    HB3  ARG  11           HB1      ARG  11   6.223  14.758   6.973
   73    HG2  ARG  11           HG2      ARG  11   7.932  15.971   5.849
   74    HG3  ARG  11           HG1      ARG  11   6.513  17.009   5.950
   75    HD2  ARG  11           HD2      ARG  11   7.505  18.271   7.774
   76    HD3  ARG  11           HD1      ARG  11   8.873  17.156   7.855
   77    HE   ARG  11           HE       ARG  11   8.447  18.577   5.334
   78   HH11  ARG  11          HH11      ARG  11  10.303  18.370   8.323
   79   HH12  ARG  11          HH12      ARG  11  11.574  19.397   7.743
   80   HH21  ARG  11          HH21      ARG  11  10.140  19.928   4.612
   81   HH22  ARG  11          HH22      ARG  11  11.485  20.267   5.653
   82    H    THR  12           HN       THR  12   5.259  18.500   7.413
   83    HA   THR  12           HA       THR  12   2.427  18.136   6.710
   84    HB   THR  12           HB       THR  12   3.071  20.185   7.992
   85    HG1  THR  12           HG1      THR  12   2.135  20.959   5.420
   86   HG21  THR  12          HG21      THR  12   4.208  22.052   6.875
   87   HG22  THR  12          HG22      THR  12   4.465  21.059   5.438
   88   HG23  THR  12          HG23      THR  12   5.277  20.649   6.951
   89    H    PHE  13           HN       PHE  13   1.630  18.544   4.698
   90    HA   PHE  13           HA       PHE  13   3.218  18.300   2.314
   91    HB2  PHE  13           HB2      PHE  13   1.079  18.396   1.125
   92    HB3  PHE  13           HB1      PHE  13   0.933  17.311   2.496
   93    HD1  PHE  13           HD1      PHE  13   0.473  19.610   4.641
   94    HD2  PHE  13           HD2      PHE  13  -1.268  18.774   0.832
   95    HE1  PHE  13           HE1      PHE  13  -1.587  20.727   5.336
   96    HE2  PHE  13           HE2      PHE  13  -3.319  19.907   1.526
   97    HZ   PHE  13           HZ       PHE  13  -3.492  20.890   3.782
   98    H    PHE  14           HN       PHE  14   2.340  19.898   0.445
   99    HA   PHE  14           HA       PHE  14   2.408  22.730   1.309
  100    HB2  PHE  14           HB2      PHE  14   3.674  21.622  -1.253
  101    HB3  PHE  14           HB1      PHE  14   3.619  23.313  -0.772
  102    HD1  PHE  14           HD2      PHE  14   4.977  24.083   1.224
  103    HD2  PHE  14           HD1      PHE  14   5.414  20.172  -0.459
  104    HE1  PHE  14           HE2      PHE  14   7.158  23.845   2.327
  105    HE2  PHE  14           HE1      PHE  14   7.590  19.941   0.648
  106    HZ   PHE  14           HZ       PHE  14   8.471  21.777   2.038
  107    H    SER  15           HN       SER  15   1.752  20.502  -1.379
  108    HA   SER  15           HA       SER  15  -0.941  21.664  -1.797
  109    HB2  SER  15           HB2      SER  15  -0.764  20.736  -4.118
  110    HB3  SER  15           HB1      SER  15   0.508  21.916  -3.792
  111    HG   SER  15           HG       SER  15   0.984  19.695  -4.799
  112    H    GLU  16           HN       GLU  16  -2.637  20.025  -2.251
  113    HA   GLU  16           HA       GLU  16  -2.538  17.963  -0.281
  114    HB2  GLU  16           HB2      GLU  16  -4.649  19.174  -0.883
  115    HB3  GLU  16           HB1      GLU  16  -4.651  18.353  -2.445
  116    HG2  GLU  16           HG2      GLU  16  -4.783  16.152  -1.255
  117    HG3  GLU  16           HG1      GLU  16  -4.876  17.014   0.280
  118    H    ASN  17           HN       ASN  17  -2.032  17.983  -3.787
  119    HA   ASN  17           HA       ASN  17  -2.248  15.110  -4.099
  120    HB2  ASN  17           HB2      ASN  17  -1.056  17.195  -5.990
  121    HB3  ASN  17           HB1      ASN  17  -1.343  15.505  -6.387
  122   HD21  ASN  17          HD21      ASN  17  -2.773  18.597  -6.002
  123   HD22  ASN  17          HD22      ASN  17  -4.361  18.171  -6.521
  124    H    GLY  18           HN       GLY  18   0.254  17.441  -3.345
  125    HA2  GLY  18           HA2      GLY  18   2.569  15.846  -3.617
  126    HA3  GLY  18           HA1      GLY  18   2.372  17.204  -2.516
  127    H    LEU  19           HN       LEU  19   0.305  16.277  -0.877
  128    HA   LEU  19           HA       LEU  19   1.471  14.455   0.927
  129    HB2  LEU  19           HB2      LEU  19  -0.345  16.096   1.425
  130    HB3  LEU  19           HB1      LEU  19  -1.480  15.123   0.544
  131    HG   LEU  19           HG       LEU  19  -1.562  14.983   3.113
  132   HD11  LEU  19          HD11      LEU  19  -2.774  13.372   1.726
  133   HD12  LEU  19          HD12      LEU  19  -2.161  12.636   3.203
  134   HD13  LEU  19          HD13      LEU  19  -1.348  12.333   1.666
  135   HD21  LEU  19          HD21      LEU  19  -0.021  13.445   4.241
  136   HD22  LEU  19          HD22      LEU  19   0.837  14.821   3.559
  137   HD23  LEU  19          HD23      LEU  19   0.908  13.252   2.749
  138    H    ARG  20           HN       ARG  20  -1.019  14.028  -1.570
  139    HA   ARG  20           HA       ARG  20  -1.596  11.299  -1.185
  140    HB2  ARG  20           HB2      ARG  20  -1.828  13.028  -3.674
  141    HB3  ARG  20           HB1      ARG  20  -2.545  11.427  -3.508
  142    HG2  ARG  20           HG2      ARG  20  -3.210  13.840  -1.806
  143    HG3  ARG  20           HG1      ARG  20  -4.178  13.228  -3.141
  144    HD2  ARG  20           HD2      ARG  20  -3.576  11.789  -0.541
  145    HD3  ARG  20           HD1      ARG  20  -5.124  12.489  -1.014
  146    HE   ARG  20           HE       ARG  20  -4.023  10.395  -2.741
  147   HH11  ARG  20          HH11      ARG  20  -6.403  11.261  -0.295
  148   HH12  ARG  20          HH12      ARG  20  -7.265   9.762  -0.437
  149   HH21  ARG  20          HH21      ARG  20  -5.178   8.452  -2.937
  150   HH22  ARG  20          HH22      ARG  20  -6.576   8.170  -1.948
  151    H    GLU  21           HN       GLU  21   0.936  12.867  -3.044
  152    HA   GLU  21           HA       GLU  21   1.879  10.655  -4.518
  153    HB2  GLU  21           HB2      GLU  21   2.370  13.117  -4.960
  154    HB3  GLU  21           HB1      GLU  21   3.426  13.113  -3.553
  155    HG2  GLU  21           HG2      GLU  21   4.753  12.953  -5.567
  156    HG3  GLU  21           HG1      GLU  21   4.871  11.440  -4.679
  157    H    HIS  22           HN       HIS  22   2.855  12.168  -1.477
  158    HA   HIS  22           HA       HIS  22   4.916  10.354  -0.739
  159    HB2  HIS  22           HB2      HIS  22   4.900  12.617   0.131
  160    HB3  HIS  22           HB1      HIS  22   3.301  12.407   0.828
  161    HD1  HIS  22           HD1      HIS  22   6.911  11.468   1.426
  162    HD2  HIS  22           HD2      HIS  22   3.226  11.266   3.319
  163    HE1  HIS  22           HE1      HIS  22   7.373  10.770   3.804
  164    H    LEU  23           HN       LEU  23   1.476  10.302  -0.338
  165    HA   LEU  23           HA       LEU  23   1.074   8.846   2.004
  166    HB2  LEU  23           HB2      LEU  23  -0.557  10.188   0.498
  167    HB3  LEU  23           HB1      LEU  23  -0.726   8.708  -0.434
  168    HG   LEU  23           HG       LEU  23  -1.510   7.562   1.665
  169   HD11  LEU  23          HD11      LEU  23  -0.512   8.968   3.360
  170   HD12  LEU  23          HD12      LEU  23  -2.260   8.990   3.568
  171   HD13  LEU  23          HD13      LEU  23  -1.444  10.363   2.819
  172   HD21  LEU  23          HD21      LEU  23  -3.774   8.570   1.653
  173   HD22  LEU  23          HD22      LEU  23  -3.145   8.363   0.021
  174   HD23  LEU  23          HD23      LEU  23  -3.144   9.962   0.770
  175    H    GLN  24           HN       GLN  24   1.857   7.772  -1.210
  176    HA   GLN  24           HA       GLN  24   0.815   5.131  -1.001
  177    HB2  GLN  24           HB2      GLN  24   2.699   6.230  -3.092
  178    HB3  GLN  24           HB1      GLN  24   1.623   4.849  -3.245
  179    HG2  GLN  24           HG2      GLN  24   0.826   7.756  -3.005
  180    HG3  GLN  24           HG1      GLN  24   0.666   6.722  -4.406
  181   HE21  GLN  24          HE21      GLN  24  -1.330   8.272  -2.877
  182   HE22  GLN  24          HE22      GLN  24  -2.567   7.147  -2.453
  183    H    THR  25           HN       THR  25   3.861   6.486  -0.083
  184    HA   THR  25           HA       THR  25   5.457   4.078  -0.339
  185    HB   THR  25           HB       THR  25   7.115   5.401   1.114
  186    HG1  THR  25           HG1      THR  25   6.003   6.936   2.125
  187   HG21  THR  25          HG21      THR  25   7.355   5.341  -1.338
  188   HG22  THR  25          HG22      THR  25   7.777   6.932  -0.704
  189   HG23  THR  25          HG23      THR  25   6.218   6.681  -1.489
  190    H    HIS  26           HN       HIS  26   3.082   5.003   1.863
  191    HA   HIS  26           HA       HIS  26   4.184   3.372   4.078
  192    HB2  HIS  26           HB2      HIS  26   1.845   5.319   4.042
  193    HB3  HIS  26           HB1      HIS  26   2.264   4.312   5.428
  194    HD1  HIS  26           HD1      HIS  26   4.643   4.839   6.553
  195    HD2  HIS  26           HD2      HIS  26   3.278   7.623   3.804
  196    HE1  HIS  26           HE1      HIS  26   5.995   6.922   6.936
  197    H    ARG  27           HN       ARG  27   2.525   2.868   1.352
  198    HA   ARG  27           HA       ARG  27   1.285   0.425   2.422
  199    HB2  ARG  27           HB2      ARG  27  -0.677   0.694   0.897
  200    HB3  ARG  27           HB1      ARG  27  -0.616   1.909   2.164
  201    HG2  ARG  27           HG2      ARG  27   0.146   3.606   0.596
  202    HG3  ARG  27           HG1      ARG  27   0.294   2.399  -0.687
  203    HD2  ARG  27           HD2      ARG  27  -1.753   3.726  -0.970
  204    HD3  ARG  27           HD1      ARG  27  -2.150   2.039  -0.650
  205    HE   ARG  27           HE       ARG  27  -2.490   4.310   1.208
  206   HH11  ARG  27          HH11      ARG  27  -3.127   0.928   0.495
  207   HH12  ARG  27          HH12      ARG  27  -4.362   0.780   1.705
  208   HH21  ARG  27          HH21      ARG  27  -4.138   4.096   2.775
  209   HH22  ARG  27          HH22      ARG  27  -4.947   2.571   2.971
  210    H    GLY  28           HN       GLY  28   3.706   1.468   0.734
  211    HA2  GLY  28           HA2      GLY  28   3.483  -0.120  -1.689
  212    HA3  GLY  28           HA1      GLY  28   4.921   0.711  -1.119
  213    HA   PRO  29           HA       PRO  29   4.828  -4.086  -0.031
  214    HB2  PRO  29           HB2      PRO  29   6.504  -4.316  -2.530
  215    HB3  PRO  29           HB1      PRO  29   5.288  -5.429  -1.880
  216    HG2  PRO  29           HG2      PRO  29   4.700  -3.893  -3.989
  217    HG3  PRO  29           HG1      PRO  29   3.488  -4.161  -2.719
  218    HD2  PRO  29           HD2      PRO  29   5.246  -1.740  -3.175
  219    HD3  PRO  29           HD1      PRO  29   3.527  -1.811  -2.732
  220    H    ALA  30           HN       ALA  30   6.298  -4.321   1.530
  221    HA   ALA  30           HA       ALA  30   9.074  -3.347   1.180
  222    HB1  ALA  30           HB1      ALA  30   7.848  -1.862   2.707
  223    HB2  ALA  30           HB2      ALA  30   9.108  -2.742   3.571
  224    HB3  ALA  30           HB3      ALA  30   7.422  -3.239   3.727
  225    H    LYS  31           HN       LYS  31   9.370  -5.484   0.351
  226    HA   LYS  31           HA       LYS  31   9.486  -7.682   2.313
  227    HB2  LYS  31           HB2      LYS  31   9.725  -7.612  -0.726
  228    HB3  LYS  31           HB1      LYS  31  10.234  -9.020   0.197
  229    HG2  LYS  31           HG2      LYS  31   8.031  -9.396  -0.698
  230    HG3  LYS  31           HG1      LYS  31   7.940  -9.288   1.060
  231    HD2  LYS  31           HD2      LYS  31   7.059  -6.992   0.889
  232    HD3  LYS  31           HD1      LYS  31   7.211  -7.048  -0.871
  233    HE2  LYS  31           HE2      LYS  31   4.882  -7.439  -0.092
  234    HE3  LYS  31           HE1      LYS  31   5.528  -8.808  -0.998
  235    HZ1  LYS  31           HZ1      LYS  31   5.936  -9.956   1.063
  236    HZ2  LYS  31           HZ2      LYS  31   4.317  -9.480   0.991
  237    HZ3  LYS  31           HZ3      LYS  31   5.405  -8.629   1.962
  238    H    HIS  32           HN       HIS  32  11.451  -8.662   2.859
  239    HA   HIS  32           HA       HIS  32  13.909  -7.241   2.102
  240    HB2  HIS  32           HB2      HIS  32  15.052  -8.399   3.870
  241    HB3  HIS  32           HB1      HIS  32  13.529  -7.829   4.534
  242    HD1  HIS  32           HD1      HIS  32  15.482 -10.915   3.829
  243    HD2  HIS  32           HD2      HIS  32  11.694  -9.931   5.220
  244    HE1  HIS  32           HE1      HIS  32  14.593 -12.997   4.891
  245    HE2  HIS  32           HE2      HIS  32  12.307 -12.386   5.748
  246    H    TYR  33           HN       TYR  33  15.262  -8.010   0.594
  247    HA   TYR  33           HA       TYR  33  15.361 -10.801  -0.117
  248    HB2  TYR  33           HB2      TYR  33  15.279 -10.080  -2.681
  249    HB3  TYR  33           HB1      TYR  33  13.813 -10.495  -1.812
  250    HD1  TYR  33           HD1      TYR  33  15.737  -7.680  -3.293
  251    HD2  TYR  33           HD2      TYR  33  12.107  -8.804  -1.346
  252    HE1  TYR  33           HE1      TYR  33  14.729  -5.537  -3.923
  253    HE2  TYR  33           HE2      TYR  33  11.112  -6.653  -1.965
  254    HH   TYR  33           HH       TYR  33  11.934  -4.335  -2.569
  255    H    MET  34           HN       MET  34  17.255 -10.499   0.966
  256    HA   MET  34           HA       MET  34  19.479  -9.583  -0.734
  257    HB2  MET  34           HB2      MET  34  19.130  -7.939   1.148
  258    HB3  MET  34           HB1      MET  34  19.315  -9.250   2.313
  259    HG2  MET  34           HG2      MET  34  21.641  -9.590   1.539
  260    HG3  MET  34           HG1      MET  34  21.449  -8.271   0.380
  261    HE1  MET  34           HE1      MET  34  23.876  -8.284   2.396
  262    HE2  MET  34           HE2      MET  34  23.843  -6.641   3.030
  263    HE3  MET  34           HE3      MET  34  23.572  -6.930   1.310
  264    H    CYS  35           HN       CYS  35  21.070 -11.105  -0.886
  265    HA   CYS  35           HA       CYS  35  20.500 -13.786  -0.356
  266    HB2  CYS  35           HB2      CYS  35  21.948 -13.244  -2.163
  267    HB3  CYS  35           HB1      CYS  35  23.028 -12.356  -1.139
  268    HA   PRO  36           HA       PRO  36  21.952 -14.172   3.936
  269    HB2  PRO  36           HB2      PRO  36  21.984 -17.116   3.370
  270    HB3  PRO  36           HB1      PRO  36  21.095 -16.217   4.611
  271    HG2  PRO  36           HG2      PRO  36  19.820 -17.244   2.487
  272    HG3  PRO  36           HG1      PRO  36  19.364 -15.658   3.143
  273    HD2  PRO  36           HD2      PRO  36  21.074 -16.270   0.714
  274    HD3  PRO  36           HD1      PRO  36  19.750 -15.092   0.901
  275    H    ILE  37           HN       ILE  37  23.521 -16.031   1.288
  276    HA   ILE  37           HA       ILE  37  25.889 -16.595   2.816
  277    HB   ILE  37           HB       ILE  37  25.348 -17.027  -0.161
  278   HG12  ILE  37          HG12      ILE  37  24.981 -19.014   2.153
  279   HG13  ILE  37          HG11      ILE  37  23.666 -18.182   1.335
  280   HG21  ILE  37          HG21      ILE  37  27.735 -17.114   0.389
  281   HG22  ILE  37          HG22      ILE  37  27.154 -18.725  -0.007
  282   HG23  ILE  37          HG23      ILE  37  27.435 -18.282   1.679
  283   HD11  ILE  37          HD11      ILE  37  24.218 -19.333  -0.751
  284   HD12  ILE  37          HD12      ILE  37  23.898 -20.466   0.562
  285   HD13  ILE  37          HD13      ILE  37  25.557 -20.153   0.060
  286    H    CYS  38           HN       CYS  38  25.396 -14.621  -0.196
  287    HA   CYS  38           HA       CYS  38  27.728 -13.027   0.604
  288    HB2  CYS  38           HB2      CYS  38  28.420 -12.932  -1.747
  289    HB3  CYS  38           HB1      CYS  38  28.429 -14.550  -1.095
  290    H    GLY  39           HN       GLY  39  24.493 -12.598   0.215
  291    HA2  GLY  39           HA2      GLY  39  23.273 -10.778   0.580
  292    HA3  GLY  39           HA1      GLY  39  24.760  -9.929   0.968
  293    H    GLU  40           HN       GLU  40  23.892 -11.173  -2.245
  294    HA   GLU  40           HA       GLU  40  23.723  -8.690  -3.555
  295    HB2  GLU  40           HB2      GLU  40  22.538 -11.394  -4.332
  296    HB3  GLU  40           HB1      GLU  40  22.590  -9.993  -5.391
  297    HG2  GLU  40           HG2      GLU  40  24.336 -11.564  -5.953
  298    HG3  GLU  40           HG1      GLU  40  25.043 -10.061  -5.386
  299    H    ARG  41           HN       ARG  41  22.175  -7.184  -3.393
  300    HA   ARG  41           HA       ARG  41  19.410  -7.779  -2.604
  301    HB2  ARG  41           HB2      ARG  41  20.791  -5.181  -3.419
  302    HB3  ARG  41           HB1      ARG  41  19.082  -5.284  -3.015
  303    HG2  ARG  41           HG2      ARG  41  20.220  -4.402  -1.108
  304    HG3  ARG  41           HG1      ARG  41  19.748  -6.054  -0.718
  305    HD2  ARG  41           HD2      ARG  41  22.012  -5.528   0.100
  306    HD3  ARG  41           HD1      ARG  41  22.040  -6.823  -1.100
  307    HE   ARG  41           HE       ARG  41  22.626  -4.897  -2.717
  308   HH11  ARG  41          HH11      ARG  41  23.650  -4.887   0.640
  309   HH12  ARG  41          HH12      ARG  41  25.172  -4.135   0.299
  310   HH21  ARG  41          HH21      ARG  41  24.615  -3.915  -3.147
  311   HH22  ARG  41          HH22      ARG  41  25.719  -3.580  -1.850
  312    H    PHE  42           HN       PHE  42  17.682  -7.786  -4.057
  313    HA   PHE  42           HA       PHE  42  18.326  -7.662  -6.953
  314    HB2  PHE  42           HB2      PHE  42  16.635  -9.594  -5.333
  315    HB3  PHE  42           HB1      PHE  42  16.378  -9.412  -7.063
  316    HD1  PHE  42           HD2      PHE  42  18.147 -10.035  -8.687
  317    HD2  PHE  42           HD1      PHE  42  18.649 -10.738  -4.501
  318    HE1  PHE  42           HE2      PHE  42  20.026 -11.537  -9.167
  319    HE2  PHE  42           HE1      PHE  42  20.533 -12.235  -4.992
  320    HZ   PHE  42           HZ       PHE  42  21.226 -12.639  -7.322
  321    HA   PRO  43           HA       PRO  43  14.748  -4.925  -7.722
  322    HB2  PRO  43           HB2      PRO  43  13.142  -6.301  -9.545
  323    HB3  PRO  43           HB1      PRO  43  14.585  -5.375  -9.985
  324    HG2  PRO  43           HG2      PRO  43  14.323  -8.344  -9.460
  325    HG3  PRO  43           HG1      PRO  43  15.161  -7.518 -10.796
  326    HD2  PRO  43           HD2      PRO  43  16.560  -8.456  -8.729
  327    HD3  PRO  43           HD1      PRO  43  16.973  -6.868  -9.418
  328    H    SER  44           HN       SER  44  13.847  -8.339  -7.159
  329    HA   SER  44           HA       SER  44  11.902  -7.626  -5.132
  330    HB2  SER  44           HB2      SER  44  10.971  -8.993  -7.702
  331    HB3  SER  44           HB1      SER  44  10.001  -8.874  -6.235
  332    HG   SER  44           HG       SER  44  10.709  -6.445  -6.687
  333    H    LEU  45           HN       LEU  45  10.725  -9.784  -4.427
  334    HA   LEU  45           HA       LEU  45  12.830 -11.681  -3.770
  335    HB2  LEU  45           HB2      LEU  45  11.284 -10.777  -2.026
  336    HB3  LEU  45           HB1      LEU  45   9.934 -11.553  -2.841
  337    HG   LEU  45           HG       LEU  45  10.985 -13.790  -2.370
  338   HD11  LEU  45          HD11      LEU  45  13.327 -13.116  -2.212
  339   HD12  LEU  45          HD12      LEU  45  12.829 -13.950  -0.742
  340   HD13  LEU  45          HD13      LEU  45  12.984 -12.192  -0.746
  341   HD21  LEU  45          HD21      LEU  45  10.430 -13.857   0.032
  342   HD22  LEU  45          HD22      LEU  45   9.244 -12.916  -0.872
  343   HD23  LEU  45          HD23      LEU  45  10.468 -12.088   0.091
  344    H    LEU  46           HN       LEU  46  12.959 -12.390  -6.040
  345    HA   LEU  46           HA       LEU  46  11.510 -14.889  -6.450
  346    HB2  LEU  46           HB2      LEU  46  10.092 -13.187  -7.595
  347    HB3  LEU  46           HB1      LEU  46  11.476 -12.642  -8.518
  348    HG   LEU  46           HG       LEU  46  11.581 -14.884  -9.635
  349   HD11  LEU  46          HD11      LEU  46  10.511 -16.264  -7.921
  350   HD12  LEU  46          HD12      LEU  46   9.687 -16.440  -9.466
  351   HD13  LEU  46          HD13      LEU  46   8.969 -15.447  -8.198
  352   HD21  LEU  46          HD21      LEU  46  10.425 -13.012 -10.739
  353   HD22  LEU  46          HD22      LEU  46   8.917 -13.460  -9.943
  354   HD23  LEU  46          HD23      LEU  46   9.650 -14.549 -11.120
  355    H    THR  47           HN       THR  47  13.573 -12.526  -8.048
  356    HA   THR  47           HA       THR  47  15.428 -14.342  -9.207
  357    HB   THR  47           HB       THR  47  16.892 -12.233  -9.433
  358    HG1  THR  47           HG1      THR  47  16.186 -10.412  -8.562
  359   HG21  THR  47          HG21      THR  47  14.035 -12.053 -10.469
  360   HG22  THR  47          HG22      THR  47  15.350 -12.935 -11.245
  361   HG23  THR  47          HG23      THR  47  15.424 -11.177 -11.120
  362    H    LEU  48           HN       LEU  48  15.241 -12.873  -6.027
  363    HA   LEU  48           HA       LEU  48  17.817 -13.553  -5.067
  364    HB2  LEU  48           HB2      LEU  48  16.171 -11.937  -4.029
  365    HB3  LEU  48           HB1      LEU  48  15.232 -13.299  -3.475
  366    HG   LEU  48           HG       LEU  48  16.765 -12.113  -1.753
  367   HD11  LEU  48          HD11      LEU  48  15.720 -14.254  -1.229
  368   HD12  LEU  48          HD12      LEU  48  17.335 -14.144  -0.536
  369   HD13  LEU  48          HD13      LEU  48  17.063 -15.117  -1.982
  370   HD21  LEU  48          HD21      LEU  48  18.775 -11.900  -3.121
  371   HD22  LEU  48          HD22      LEU  48  18.937 -13.655  -3.208
  372   HD23  LEU  48          HD23      LEU  48  19.119 -12.823  -1.665
  373    H    THR  49           HN       THR  49  14.751 -15.301  -5.149
  374    HA   THR  49           HA       THR  49  15.487 -17.623  -3.709
  375    HB   THR  49           HB       THR  49  13.353 -17.320  -5.883
  376    HG1  THR  49           HG1      THR  49  11.994 -16.765  -4.135
  377   HG21  THR  49          HG21      THR  49  12.151 -19.106  -4.688
  378   HG22  THR  49          HG22      THR  49  13.471 -19.247  -3.525
  379   HG23  THR  49          HG23      THR  49  13.731 -19.686  -5.214
  380    H    GLU  50           HN       GLU  50  15.434 -16.838  -7.142
  381    HA   GLU  50           HA       GLU  50  16.409 -19.244  -8.224
  382    HB2  GLU  50           HB2      GLU  50  16.692 -16.408  -9.292
  383    HB3  GLU  50           HB1      GLU  50  17.023 -17.868 -10.224
  384    HG2  GLU  50           HG2      GLU  50  14.641 -18.567  -9.954
  385    HG3  GLU  50           HG1      GLU  50  14.331 -17.074  -9.071
  386    H    HIS  51           HN       HIS  51  18.126 -16.340  -7.098
  387    HA   HIS  51           HA       HIS  51  20.749 -17.097  -7.799
  388    HB2  HIS  51           HB2      HIS  51  20.294 -14.796  -7.233
  389    HB3  HIS  51           HB1      HIS  51  19.707 -15.234  -5.634
  390    HD1  HIS  51           HD1      HIS  51  23.015 -15.405  -7.557
  391    HD2  HIS  51           HD2      HIS  51  21.550 -14.873  -3.711
  392    HE1  HIS  51           HE1      HIS  51  25.031 -15.028  -6.077
  393    H    LYS  52           HN       LYS  52  18.762 -17.849  -5.019
  394    HA   LYS  52           HA       LYS  52  20.786 -18.818  -3.290
  395    HB2  LYS  52           HB2      LYS  52  18.532 -18.062  -2.564
  396    HB3  LYS  52           HB1      LYS  52  17.807 -19.469  -3.328
  397    HG2  LYS  52           HG2      LYS  52  19.011 -20.953  -1.764
  398    HG3  LYS  52           HG1      LYS  52  19.771 -19.552  -1.005
  399    HD2  LYS  52           HD2      LYS  52  16.785 -20.163  -1.041
  400    HD3  LYS  52           HD1      LYS  52  17.869 -20.372   0.334
  401    HE2  LYS  52           HE2      LYS  52  18.279 -17.949   0.404
  402    HE3  LYS  52           HE1      LYS  52  17.220 -17.715  -0.991
  403    HZ1  LYS  52           HZ1      LYS  52  16.389 -18.825   1.636
  404    HZ2  LYS  52           HZ2      LYS  52  15.380 -18.561   0.312
  405    HZ3  LYS  52           HZ3      LYS  52  16.093 -17.250   1.102
  406    H    VAL  53           HN       VAL  53  18.722 -20.470  -5.730
  407    HA   VAL  53           HA       VAL  53  19.566 -23.117  -4.895
  408    HB   VAL  53           HB       VAL  53  18.078 -23.946  -6.668
  409   HG11  VAL  53          HG11      VAL  53  16.776 -21.775  -4.986
  410   HG12  VAL  53          HG12      VAL  53  17.089 -23.437  -4.486
  411   HG13  VAL  53          HG13      VAL  53  15.925 -23.111  -5.770
  412   HG21  VAL  53          HG21      VAL  53  17.556 -21.039  -7.398
  413   HG22  VAL  53          HG22      VAL  53  16.691 -22.434  -8.053
  414   HG23  VAL  53          HG23      VAL  53  18.408 -22.220  -8.399
  415    H    THR  54           HN       THR  54  20.264 -20.897  -7.565
  416    HA   THR  54           HA       THR  54  22.239 -22.753  -8.739
  417    HB   THR  54           HB       THR  54  22.384 -21.058 -10.600
  418    HG1  THR  54           HG1      THR  54  21.707 -19.243  -9.266
  419   HG21  THR  54          HG21      THR  54  20.136 -21.477 -11.563
  420   HG22  THR  54          HG22      THR  54  19.551 -22.008  -9.984
  421   HG23  THR  54          HG23      THR  54  20.796 -22.937 -10.823
  422    H    HIS  55           HN       HIS  55  23.103 -21.940  -6.235
  423    HA   HIS  55           HA       HIS  55  24.163 -19.255  -6.215
  424    HB2  HIS  55           HB2      HIS  55  23.139 -20.551  -4.197
  425    HB3  HIS  55           HB1      HIS  55  24.695 -21.374  -4.088
  426    HD1  HIS  55           HD1      HIS  55  26.802 -19.748  -3.601
  427    HD2  HIS  55           HD2      HIS  55  23.045 -18.063  -3.204
  428    HE1  HIS  55           HE1      HIS  55  27.152 -17.509  -2.491
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -11.436  22.570   8.394
    2    H2   MET   1           HT2      MET   1 -10.453  21.582   9.346
    3    H3   MET   1           HT3      MET   1 -12.111  21.290   9.274
    4    HA   MET   1           HA       MET   1 -10.854  19.705   7.958
    5    HB2  MET   1           HB2      MET   1 -12.218  19.833   5.939
    6    HB3  MET   1           HB1      MET   1 -13.189  20.330   7.319
    7    HG2  MET   1           HG2      MET   1 -11.920  22.192   5.290
    8    HG3  MET   1           HG1      MET   1 -13.623  21.735   5.357
    9    HE1  MET   1           HE1      MET   1 -12.670  24.780   5.259
   10    HE2  MET   1           HE2      MET   1 -13.709  25.495   6.491
   11    HE3  MET   1           HE3      MET   1 -14.368  24.305   5.370
   12    H    GLY   2           HN       GLY   2 -10.080  19.625   5.470
   13    HA2  GLY   2           HA2      GLY   2  -8.416  20.061   3.960
   14    HA3  GLY   2           HA1      GLY   2  -8.411  21.732   4.511
   15    H    SER   3           HN       SER   3  -7.743  18.696   6.222
   16    HA   SER   3           HA       SER   3  -5.078  19.707   7.000
   17    HB2  SER   3           HB2      SER   3  -6.626  19.404   8.919
   18    HB3  SER   3           HB1      SER   3  -6.920  17.727   8.444
   19    HG   SER   3           HG       SER   3  -4.816  17.243   8.941
   20    H    HIS   4           HN       HIS   4  -4.145  18.922   5.183
   21    HA   HIS   4           HA       HIS   4  -3.798  15.979   5.043
   22    HB2  HIS   4           HB2      HIS   4  -3.242  18.139   2.983
   23    HB3  HIS   4           HB1      HIS   4  -2.539  16.535   2.832
   24    HD1  HIS   4           HD1      HIS   4  -4.983  18.148   1.172
   25    HD2  HIS   4           HD2      HIS   4  -5.149  14.696   3.475
   26    HE1  HIS   4           HE1      HIS   4  -6.951  16.864   0.314
   27    HE2  HIS   4           HE2      HIS   4  -7.148  14.875   1.847
   28    H    LYS   5           HN       LYS   5  -2.631  16.481   7.221
   29    HA   LYS   5           HA       LYS   5   0.240  16.480   6.561
   30    HB2  LYS   5           HB2      LYS   5   0.708  16.675   8.860
   31    HB3  LYS   5           HB1      LYS   5  -0.671  17.728   8.636
   32    HG2  LYS   5           HG2      LYS   5  -2.128  15.855   9.521
   33    HG3  LYS   5           HG1      LYS   5  -0.647  14.966   9.896
   34    HD2  LYS   5           HD2      LYS   5  -1.350  17.702  11.055
   35    HD3  LYS   5           HD1      LYS   5  -1.688  16.173  11.863
   36    HE2  LYS   5           HE2      LYS   5   0.310  16.971  12.855
   37    HE3  LYS   5           HE1      LYS   5   0.843  15.719  11.736
   38    HZ1  LYS   5           HZ1      LYS   5   2.245  17.681  11.644
   39    HZ2  LYS   5           HZ2      LYS   5   0.921  18.649  11.227
   40    HZ3  LYS   5           HZ3      LYS   5   1.463  17.449  10.171
   41    H    CYS   6           HN       CYS   6   1.397  14.558   6.747
   42    HA   CYS   6           HA       CYS   6  -0.104  12.114   6.419
   43    HB2  CYS   6           HB2      CYS   6   1.865  12.555   5.016
   44    HB3  CYS   6           HB1      CYS   6   2.883  12.683   6.441
   45    H    ASN   7           HN       ASN   7  -0.915  11.362   8.295
   46    HA   ASN   7           HA       ASN   7  -0.354  11.749  10.883
   47    HB2  ASN   7           HB2      ASN   7  -2.282  10.467   9.850
   48    HB3  ASN   7           HB1      ASN   7  -1.243   9.051   9.768
   49   HD21  ASN   7          HD21      ASN   7  -3.754   9.362  11.159
   50   HD22  ASN   7          HD22      ASN   7  -3.444   9.055  12.830
   51    H    VAL   8           HN       VAL   8   1.034   9.011   9.048
   52    HA   VAL   8           HA       VAL   8   2.349   7.700  11.160
   53    HB   VAL   8           HB       VAL   8   3.209   7.673   8.218
   54   HG11  VAL   8          HG11      VAL   8   4.874   6.606   9.670
   55   HG12  VAL   8          HG12      VAL   8   4.054   5.378   8.707
   56   HG13  VAL   8          HG13      VAL   8   3.633   5.594  10.407
   57   HG21  VAL   8          HG21      VAL   8   1.129   5.913   9.585
   58   HG22  VAL   8          HG22      VAL   8   1.695   5.745   7.918
   59   HG23  VAL   8          HG23      VAL   8   0.809   7.190   8.410
   60    H    CYS   9           HN       CYS   9   3.561  10.066   8.851
   61    HA   CYS   9           HA       CYS   9   6.263  10.169   9.921
   62    HB2  CYS   9           HB2      CYS   9   4.826  11.855   7.845
   63    HB3  CYS   9           HB1      CYS   9   6.542  11.973   8.210
   64    H    SER  10           HN       SER  10   3.361  11.975  10.190
   65    HA   SER  10           HA       SER  10   2.495  13.688  11.294
   66    HB2  SER  10           HB2      SER  10   3.480  14.683  13.266
   67    HB3  SER  10           HB1      SER  10   3.808  12.954  13.306
   68    HG   SER  10           HG       SER  10   5.890  13.333  13.062
   69    H    ARG  11           HN       ARG  11   4.739  13.974   8.984
   70    HA   ARG  11           HA       ARG  11   5.313  16.808   9.078
   71    HB2  ARG  11           HB2      ARG  11   7.012  15.287   8.260
   72    HB3  ARG  11           HB1      ARG  11   5.898  14.551   7.120
   73    HG2  ARG  11           HG2      ARG  11   7.435  15.937   5.918
   74    HG3  ARG  11           HG1      ARG  11   5.841  16.672   5.850
   75    HD2  ARG  11           HD2      ARG  11   6.492  18.275   7.612
   76    HD3  ARG  11           HD1      ARG  11   8.093  17.533   7.702
   77    HE   ARG  11           HE       ARG  11   7.674  18.279   5.054
   78   HH11  ARG  11          HH11      ARG  11   7.971  19.946   8.147
   79   HH12  ARG  11          HH12      ARG  11   8.695  21.355   7.440
   80   HH21  ARG  11          HH21      ARG  11   8.604  20.129   4.163
   81   HH22  ARG  11          HH22      ARG  11   9.050  21.461   5.182
   82    H    THR  12           HN       THR  12   4.591  18.309   7.454
   83    HA   THR  12           HA       THR  12   1.769  17.918   6.709
   84    HB   THR  12           HB       THR  12   2.444  19.956   8.017
   85    HG1  THR  12           HG1      THR  12   1.472  21.099   5.700
   86   HG21  THR  12          HG21      THR  12   4.616  20.468   6.914
   87   HG22  THR  12          HG22      THR  12   3.530  21.854   6.884
   88   HG23  THR  12          HG23      THR  12   3.757  20.887   5.429
   89    H    PHE  13           HN       PHE  13   0.933  18.563   4.656
   90    HA   PHE  13           HA       PHE  13   2.557  18.211   2.305
   91    HB2  PHE  13           HB2      PHE  13   0.532  18.510   1.050
   92    HB3  PHE  13           HB1      PHE  13   0.069  17.612   2.485
   93    HD1  PHE  13           HD2      PHE  13  -0.263  19.836   4.523
   94    HD2  PHE  13           HD1      PHE  13  -1.409  19.683   0.417
   95    HE1  PHE  13           HE2      PHE  13  -2.017  21.489   4.945
   96    HE2  PHE  13           HE1      PHE  13  -3.158  21.335   0.842
   97    HZ   PHE  13           HZ       PHE  13  -3.475  22.246   3.112
   98    H    PHE  14           HN       PHE  14   2.145  19.886   0.492
   99    HA   PHE  14           HA       PHE  14   1.967  22.690   1.327
  100    HB2  PHE  14           HB2      PHE  14   3.986  21.649  -0.731
  101    HB3  PHE  14           HB1      PHE  14   3.686  23.348  -0.363
  102    HD1  PHE  14           HD2      PHE  14   4.308  24.255   1.907
  103    HD2  PHE  14           HD1      PHE  14   5.447  20.319   0.669
  104    HE1  PHE  14           HE2      PHE  14   5.965  24.159   3.715
  105    HE2  PHE  14           HE1      PHE  14   7.090  20.228   2.495
  106    HZ   PHE  14           HZ       PHE  14   7.355  22.149   4.020
  107    H    SER  15           HN       SER  15   1.985  20.272  -1.230
  108    HA   SER  15           HA       SER  15  -0.424  21.444  -2.490
  109    HB2  SER  15           HB2      SER  15   1.571  21.129  -3.979
  110    HB3  SER  15           HB1      SER  15   1.548  19.406  -3.607
  111    HG   SER  15           HG       SER  15   0.457  20.097  -5.596
  112    H    GLU  16           HN       GLU  16  -2.264  20.114  -2.678
  113    HA   GLU  16           HA       GLU  16  -2.635  18.324  -0.464
  114    HB2  GLU  16           HB2      GLU  16  -4.990  18.120  -1.270
  115    HB3  GLU  16           HB1      GLU  16  -4.459  19.788  -1.083
  116    HG2  GLU  16           HG2      GLU  16  -4.196  20.050  -3.475
  117    HG3  GLU  16           HG1      GLU  16  -4.511  18.333  -3.745
  118    H    ASN  17           HN       ASN  17  -2.272  17.843  -3.947
  119    HA   ASN  17           HA       ASN  17  -2.787  14.993  -3.915
  120    HB2  ASN  17           HB2      ASN  17  -1.673  16.933  -5.981
  121    HB3  ASN  17           HB1      ASN  17  -1.690  15.197  -6.269
  122   HD21  ASN  17          HD21      ASN  17  -3.767  17.996  -5.690
  123   HD22  ASN  17          HD22      ASN  17  -5.174  17.313  -6.415
  124    H    GLY  18           HN       GLY  18  -0.071  17.106  -3.393
  125    HA2  GLY  18           HA2      GLY  18   2.101  15.362  -3.800
  126    HA3  GLY  18           HA1      GLY  18   2.104  16.784  -2.775
  127    H    LEU  19           HN       LEU  19   0.210  16.053  -0.817
  128    HA   LEU  19           HA       LEU  19   1.570  14.373   0.955
  129    HB2  LEU  19           HB2      LEU  19  -0.373  16.085   1.337
  130    HB3  LEU  19           HB1      LEU  19  -1.449  14.745   1.023
  131    HG   LEU  19           HG       LEU  19  -1.086  15.246   3.461
  132   HD11  LEU  19          HD11      LEU  19  -0.829  12.978   4.280
  133   HD12  LEU  19          HD12      LEU  19  -0.187  12.457   2.717
  134   HD13  LEU  19          HD13      LEU  19  -1.858  13.013   2.849
  135   HD21  LEU  19          HD21      LEU  19   1.251  15.934   3.387
  136   HD22  LEU  19          HD22      LEU  19   1.749  14.285   3.007
  137   HD23  LEU  19          HD23      LEU  19   1.013  14.646   4.570
  138    H    ARG  20           HN       ARG  20  -1.110  13.710  -1.248
  139    HA   ARG  20           HA       ARG  20  -1.643  11.021  -0.456
  140    HB2  ARG  20           HB2      ARG  20  -2.395  12.431  -3.037
  141    HB3  ARG  20           HB1      ARG  20  -3.083  10.924  -2.433
  142    HG2  ARG  20           HG2      ARG  20  -3.765  12.292  -0.335
  143    HG3  ARG  20           HG1      ARG  20  -3.419  13.714  -1.319
  144    HD2  ARG  20           HD2      ARG  20  -5.403  11.536  -1.960
  145    HD3  ARG  20           HD1      ARG  20  -5.796  13.154  -1.375
  146    HE   ARG  20           HE       ARG  20  -4.270  13.199  -3.807
  147   HH11  ARG  20          HH11      ARG  20  -7.555  12.881  -2.597
  148   HH12  ARG  20          HH12      ARG  20  -8.270  13.368  -4.101
  149   HH21  ARG  20          HH21      ARG  20  -5.240  13.789  -5.755
  150   HH22  ARG  20          HH22      ARG  20  -6.969  13.885  -5.865
  151    H    GLU  21           HN       GLU  21   0.472  12.464  -2.847
  152    HA   GLU  21           HA       GLU  21   1.144  10.115  -4.306
  153    HB2  GLU  21           HB2      GLU  21   1.381  12.412  -5.209
  154    HB3  GLU  21           HB1      GLU  21   2.607  12.768  -3.998
  155    HG2  GLU  21           HG2      GLU  21   4.112  11.111  -5.002
  156    HG3  GLU  21           HG1      GLU  21   2.882  10.684  -6.191
  157    H    HIS  22           HN       HIS  22   2.687  11.992  -1.763
  158    HA   HIS  22           HA       HIS  22   4.902  10.364  -1.196
  159    HB2  HIS  22           HB2      HIS  22   5.010  12.567  -0.334
  160    HB3  HIS  22           HB1      HIS  22   3.375  12.510   0.315
  161    HD1  HIS  22           HD1      HIS  22   6.878  11.282   1.108
  162    HD2  HIS  22           HD2      HIS  22   3.151  11.705   2.880
  163    HE1  HIS  22           HE1      HIS  22   7.153  10.576   3.518
  164    H    LEU  23           HN       LEU  23   1.544  10.000  -0.341
  165    HA   LEU  23           HA       LEU  23   1.693   8.596   2.071
  166    HB2  LEU  23           HB2      LEU  23  -0.310   9.676   0.827
  167    HB3  LEU  23           HB1      LEU  23  -0.460   8.131   0.004
  168    HG   LEU  23           HG       LEU  23  -0.761   7.026   2.231
  169   HD11  LEU  23          HD11      LEU  23   0.426   8.583   3.672
  170   HD12  LEU  23          HD12      LEU  23  -1.238   8.426   4.230
  171   HD13  LEU  23          HD13      LEU  23  -0.743   9.857   3.321
  172   HD21  LEU  23          HD21      LEU  23  -2.742   9.271   1.666
  173   HD22  LEU  23          HD22      LEU  23  -3.073   7.815   2.611
  174   HD23  LEU  23          HD23      LEU  23  -2.736   7.682   0.888
  175    H    GLN  24           HN       GLN  24   2.508   7.458  -1.090
  176    HA   GLN  24           HA       GLN  24   1.910   4.666  -0.747
  177    HB2  GLN  24           HB2      GLN  24   3.718   6.013  -2.806
  178    HB3  GLN  24           HB1      GLN  24   2.984   4.418  -2.925
  179    HG2  GLN  24           HG2      GLN  24   0.727   5.508  -2.987
  180    HG3  GLN  24           HG1      GLN  24   1.525   7.079  -2.969
  181   HE21  GLN  24          HE21      GLN  24   0.685   7.684  -4.980
  182   HE22  GLN  24          HE22      GLN  24   1.198   6.967  -6.465
  183    H    THR  25           HN       THR  25   4.545   6.699   0.188
  184    HA   THR  25           HA       THR  25   6.793   5.124  -0.352
  185    HB   THR  25           HB       THR  25   7.989   6.637   1.248
  186    HG1  THR  25           HG1      THR  25   5.951   8.341   1.724
  187   HG21  THR  25          HG21      THR  25   7.567   8.751   0.052
  188   HG22  THR  25          HG22      THR  25   6.072   8.090  -0.607
  189   HG23  THR  25          HG23      THR  25   7.626   7.397  -1.081
  190    H    HIS  26           HN       HIS  26   4.546   4.880   2.293
  191    HA   HIS  26           HA       HIS  26   6.277   2.874   3.642
  192    HB2  HIS  26           HB2      HIS  26   4.644   3.684   5.698
  193    HB3  HIS  26           HB1      HIS  26   6.242   4.346   5.403
  194    HD1  HIS  26           HD1      HIS  26   2.628   5.167   4.383
  195    HD2  HIS  26           HD2      HIS  26   6.263   7.011   5.213
  196    HE1  HIS  26           HE1      HIS  26   2.233   7.658   4.189
  197    H    ARG  27           HN       ARG  27   3.533   3.263   1.849
  198    HA   ARG  27           HA       ARG  27   1.926   1.250   3.250
  199    HB2  ARG  27           HB2      ARG  27   0.850   3.289   2.257
  200    HB3  ARG  27           HB1      ARG  27   1.317   2.724   0.657
  201    HG2  ARG  27           HG2      ARG  27  -0.108   0.743   0.890
  202    HG3  ARG  27           HG1      ARG  27  -0.492   1.190   2.553
  203    HD2  ARG  27           HD2      ARG  27  -1.227   2.809   0.098
  204    HD3  ARG  27           HD1      ARG  27  -2.319   1.734   0.970
  205    HE   ARG  27           HE       ARG  27  -1.216   3.662   2.740
  206   HH11  ARG  27          HH11      ARG  27  -3.580   3.411   0.146
  207   HH12  ARG  27          HH12      ARG  27  -4.558   4.705   0.757
  208   HH21  ARG  27          HH21      ARG  27  -2.543   5.314   3.545
  209   HH22  ARG  27          HH22      ARG  27  -3.978   5.773   2.682
  210    H    GLY  28           HN       GLY  28   4.072   1.538   0.518
  211    HA2  GLY  28           HA2      GLY  28   5.192  -0.636  -0.032
  212    HA3  GLY  28           HA1      GLY  28   3.574  -1.285  -0.289
  213    HA   PRO  29           HA       PRO  29   5.094   0.671  -4.301
  214    HB2  PRO  29           HB2      PRO  29   5.924  -1.471  -5.726
  215    HB3  PRO  29           HB1      PRO  29   6.972  -0.701  -4.527
  216    HG2  PRO  29           HG2      PRO  29   5.342  -3.217  -4.272
  217    HG3  PRO  29           HG1      PRO  29   7.007  -2.902  -3.737
  218    HD2  PRO  29           HD2      PRO  29   4.779  -2.773  -2.072
  219    HD3  PRO  29           HD1      PRO  29   6.306  -1.917  -1.758
  220    H    ALA  30           HN       ALA  30   3.724   0.953  -5.994
  221    HA   ALA  30           HA       ALA  30   1.187  -0.486  -6.121
  222    HB1  ALA  30           HB1      ALA  30   0.530   1.252  -7.737
  223    HB2  ALA  30           HB2      ALA  30   2.183   1.878  -7.757
  224    HB3  ALA  30           HB3      ALA  30   1.221   1.978  -6.284
  225    H    LYS  31           HN       LYS  31   4.238  -0.634  -7.619
  226    HA   LYS  31           HA       LYS  31   3.250  -2.230  -9.927
  227    HB2  LYS  31           HB2      LYS  31   5.921  -0.778  -9.688
  228    HB3  LYS  31           HB1      LYS  31   5.227  -1.494 -11.139
  229    HG2  LYS  31           HG2      LYS  31   3.538   0.233 -11.278
  230    HG3  LYS  31           HG1      LYS  31   3.985   0.872  -9.693
  231    HD2  LYS  31           HD2      LYS  31   5.684   0.959 -12.223
  232    HD3  LYS  31           HD1      LYS  31   4.880   2.322 -11.446
  233    HE2  LYS  31           HE2      LYS  31   6.312   2.045  -9.453
  234    HE3  LYS  31           HE1      LYS  31   7.138   0.688 -10.227
  235    HZ1  LYS  31           HZ1      LYS  31   7.889   2.204 -11.962
  236    HZ2  LYS  31           HZ2      LYS  31   8.401   2.726 -10.446
  237    HZ3  LYS  31           HZ3      LYS  31   7.104   3.492 -11.202
  238    H    HIS  32           HN       HIS  32   3.496  -4.340  -9.391
  239    HA   HIS  32           HA       HIS  32   5.893  -5.243  -7.863
  240    HB2  HIS  32           HB2      HIS  32   3.887  -5.062  -6.385
  241    HB3  HIS  32           HB1      HIS  32   2.988  -6.110  -7.468
  242    HD1  HIS  32           HD1      HIS  32   2.985  -8.525  -6.862
  243    HD2  HIS  32           HD2      HIS  32   6.148  -6.491  -5.089
  244    HE1  HIS  32           HE1      HIS  32   4.113 -10.193  -5.368
  245    HE2  HIS  32           HE2      HIS  32   5.923  -8.899  -4.198
  246    H    TYR  33           HN       TYR  33   5.263  -5.251 -10.789
  247    HA   TYR  33           HA       TYR  33   4.679  -8.084 -11.375
  248    HB2  TYR  33           HB2      TYR  33   4.645  -5.661 -13.229
  249    HB3  TYR  33           HB1      TYR  33   4.157  -7.304 -13.664
  250    HD1  TYR  33           HD2      TYR  33   2.277  -8.349 -12.070
  251    HD2  TYR  33           HD1      TYR  33   2.930  -4.155 -12.574
  252    HE1  TYR  33           HE2      TYR  33  -0.010  -7.904 -11.304
  253    HE2  TYR  33           HE1      TYR  33   0.646  -3.711 -11.800
  254    HH   TYR  33           HH       TYR  33  -1.529  -4.911 -11.670
  255    H    MET  34           HN       MET  34   6.622  -8.987 -10.991
  256    HA   MET  34           HA       MET  34   9.076  -8.002 -12.268
  257    HB2  MET  34           HB2      MET  34   9.108  -8.492  -9.815
  258    HB3  MET  34           HB1      MET  34   8.654 -10.156 -10.143
  259    HG2  MET  34           HG2      MET  34  10.792 -10.505 -11.338
  260    HG3  MET  34           HG1      MET  34  11.236  -8.830 -11.016
  261    HE1  MET  34           HE1      MET  34  10.643 -12.392  -9.475
  262    HE2  MET  34           HE2      MET  34   9.445 -11.437  -8.604
  263    HE3  MET  34           HE3      MET  34  10.852 -12.081  -7.753
  264    H    CYS  35           HN       CYS  35  10.177  -9.245 -13.755
  265    HA   CYS  35           HA       CYS  35   8.813 -11.026 -15.448
  266    HB2  CYS  35           HB2      CYS  35  10.624  -9.830 -16.405
  267    HB3  CYS  35           HB1      CYS  35  11.703 -10.269 -15.134
  268    HA   PRO  36           HA       PRO  36   9.260 -15.000 -13.256
  269    HB2  PRO  36           HB2      PRO  36   9.068 -16.070 -16.077
  270    HB3  PRO  36           HB1      PRO  36   8.165 -16.546 -14.624
  271    HG2  PRO  36           HG2      PRO  36   6.982 -15.037 -16.472
  272    HG3  PRO  36           HG1      PRO  36   6.739 -14.683 -14.750
  273    HD2  PRO  36           HD2      PRO  36   8.530 -13.276 -16.732
  274    HD3  PRO  36           HD1      PRO  36   7.476 -12.586 -15.471
  275    H    ILE  37           HN       ILE  37  11.098 -14.398 -16.289
  276    HA   ILE  37           HA       ILE  37  12.935 -16.570 -15.712
  277    HB   ILE  37           HB       ILE  37  12.837 -14.692 -18.116
  278   HG12  ILE  37          HG12      ILE  37  11.537 -17.448 -17.808
  279   HG13  ILE  37          HG11      ILE  37  10.658 -15.925 -17.745
  280   HG21  ILE  37          HG21      ILE  37  14.139 -17.427 -17.780
  281   HG22  ILE  37          HG22      ILE  37  14.975 -15.883 -17.908
  282   HG23  ILE  37          HG23      ILE  37  14.068 -16.499 -19.284
  283   HD11  ILE  37          HD11      ILE  37  12.145 -17.028 -20.118
  284   HD12  ILE  37          HD12      ILE  37  11.290 -15.483 -20.077
  285   HD13  ILE  37          HD13      ILE  37  10.400 -16.996 -19.891
  286    H    CYS  38           HN       CYS  38  13.419 -13.046 -16.531
  287    HA   CYS  38           HA       CYS  38  15.934 -13.145 -15.017
  288    HB2  CYS  38           HB2      CYS  38  16.836 -11.462 -16.626
  289    HB3  CYS  38           HB1      CYS  38  16.540 -13.040 -17.279
  290    H    GLY  39           HN       GLY  39  12.974 -11.861 -14.606
  291    HA2  GLY  39           HA2      GLY  39  12.204 -10.651 -12.917
  292    HA3  GLY  39           HA1      GLY  39  13.813 -10.716 -12.213
  293    H    GLU  40           HN       GLU  40  13.116  -9.045 -15.241
  294    HA   GLU  40           HA       GLU  40  13.505  -6.408 -14.360
  295    HB2  GLU  40           HB2      GLU  40  11.968  -7.441 -16.791
  296    HB3  GLU  40           HB1      GLU  40  12.391  -5.761 -16.518
  297    HG2  GLU  40           HG2      GLU  40  13.879  -6.748 -18.131
  298    HG3  GLU  40           HG1      GLU  40  14.782  -6.311 -16.691
  299    H    ARG  41           HN       ARG  41  12.162  -5.136 -13.190
  300    HA   ARG  41           HA       ARG  41   9.352  -5.849 -12.801
  301    HB2  ARG  41           HB2      ARG  41   9.268  -4.237 -11.021
  302    HB3  ARG  41           HB1      ARG  41  10.738  -5.171 -10.834
  303    HG2  ARG  41           HG2      ARG  41  10.649  -2.380 -12.002
  304    HG3  ARG  41           HG1      ARG  41  10.973  -2.737 -10.310
  305    HD2  ARG  41           HD2      ARG  41  12.670  -3.552 -12.685
  306    HD3  ARG  41           HD1      ARG  41  13.065  -2.313 -11.492
  307    HE   ARG  41           HE       ARG  41  12.888  -4.350  -9.862
  308   HH11  ARG  41          HH11      ARG  41  14.333  -4.396 -13.073
  309   HH12  ARG  41          HH12      ARG  41  15.440  -5.671 -12.690
  310   HH21  ARG  41          HH21      ARG  41  14.369  -6.019  -9.376
  311   HH22  ARG  41          HH22      ARG  41  15.454  -6.595 -10.599
  312    H    PHE  42           HN       PHE  42   7.683  -4.833 -13.725
  313    HA   PHE  42           HA       PHE  42   8.135  -2.432 -15.400
  314    HB2  PHE  42           HB2      PHE  42   6.633  -4.992 -16.041
  315    HB3  PHE  42           HB1      PHE  42   6.231  -3.491 -16.855
  316    HD1  PHE  42           HD1      PHE  42   8.859  -6.063 -16.463
  317    HD2  PHE  42           HD2      PHE  42   7.717  -2.489 -18.506
  318    HE1  PHE  42           HE1      PHE  42  10.665  -6.402 -18.084
  319    HE2  PHE  42           HE2      PHE  42   9.531  -2.839 -20.127
  320    HZ   PHE  42           HZ       PHE  42  11.006  -4.800 -19.919
  321    HA   PRO  43           HA       PRO  43   4.949  -0.360 -13.239
  322    HB2  PRO  43           HB2      PRO  43   3.573   1.039 -15.197
  323    HB3  PRO  43           HB1      PRO  43   5.179   1.485 -14.606
  324    HG2  PRO  43           HG2      PRO  43   4.442  -0.121 -17.051
  325    HG3  PRO  43           HG1      PRO  43   5.605   1.218 -16.906
  326    HD2  PRO  43           HD2      PRO  43   6.438  -1.335 -16.933
  327    HD3  PRO  43           HD1      PRO  43   7.222  -0.141 -15.874
  328    H    SER  44           HN       SER  44   3.865  -2.622 -15.691
  329    HA   SER  44           HA       SER  44   1.290  -2.965 -14.332
  330    HB2  SER  44           HB2      SER  44   0.012  -2.703 -16.499
  331    HB3  SER  44           HB1      SER  44   0.715  -1.204 -15.911
  332    HG   SER  44           HG       SER  44   1.447  -1.124 -17.896
  333    H    LEU  45           HN       LEU  45   0.050  -4.736 -15.190
  334    HA   LEU  45           HA       LEU  45   1.677  -6.981 -16.159
  335    HB2  LEU  45           HB2      LEU  45  -0.207  -6.964 -14.223
  336    HB3  LEU  45           HB1      LEU  45  -1.286  -7.230 -15.574
  337    HG   LEU  45           HG       LEU  45   1.035  -9.058 -14.809
  338   HD11  LEU  45          HD11      LEU  45  -0.738  -9.115 -13.127
  339   HD12  LEU  45          HD12      LEU  45  -0.681 -10.632 -14.021
  340   HD13  LEU  45          HD13      LEU  45  -1.942  -9.446 -14.377
  341   HD21  LEU  45          HD21      LEU  45   0.087 -10.680 -16.393
  342   HD22  LEU  45          HD22      LEU  45   0.564  -9.197 -17.217
  343   HD23  LEU  45          HD23      LEU  45  -1.141  -9.507 -16.881
  344    H    LEU  46           HN       LEU  46   1.845  -5.403 -18.020
  345    HA   LEU  46           HA       LEU  46   0.302  -6.271 -20.270
  346    HB2  LEU  46           HB2      LEU  46  -0.947  -4.235 -19.124
  347    HB3  LEU  46           HB1      LEU  46   0.351  -3.258 -19.772
  348    HG   LEU  46           HG       LEU  46  -1.593  -4.916 -21.433
  349   HD11  LEU  46          HD11      LEU  46  -2.579  -2.766 -22.119
  350   HD12  LEU  46          HD12      LEU  46  -1.502  -1.916 -21.007
  351   HD13  LEU  46          HD13      LEU  46  -2.722  -3.025 -20.379
  352   HD21  LEU  46          HD21      LEU  46  -0.697  -3.737 -23.401
  353   HD22  LEU  46          HD22      LEU  46   0.552  -4.689 -22.602
  354   HD23  LEU  46          HD23      LEU  46   0.506  -2.938 -22.382
  355    H    THR  47           HN       THR  47   2.422  -3.629 -19.099
  356    HA   THR  47           HA       THR  47   4.332  -3.700 -21.167
  357    HB   THR  47           HB       THR  47   5.863  -2.628 -19.376
  358    HG1  THR  47           HG1      THR  47   3.676  -2.229 -17.725
  359   HG21  THR  47          HG21      THR  47   4.503  -1.217 -20.879
  360   HG22  THR  47          HG22      THR  47   4.591  -0.526 -19.258
  361   HG23  THR  47          HG23      THR  47   3.129  -1.364 -19.780
  362    H    LEU  48           HN       LEU  48   4.241  -5.389 -18.010
  363    HA   LEU  48           HA       LEU  48   6.631  -6.864 -18.249
  364    HB2  LEU  48           HB2      LEU  48   5.210  -6.489 -16.167
  365    HB3  LEU  48           HB1      LEU  48   4.095  -7.697 -16.761
  366    HG   LEU  48           HG       LEU  48   5.741  -8.427 -14.920
  367   HD11  LEU  48          HD11      LEU  48   5.753 -10.122 -17.431
  368   HD12  LEU  48          HD12      LEU  48   4.500 -10.104 -16.190
  369   HD13  LEU  48          HD13      LEU  48   6.118 -10.674 -15.792
  370   HD21  LEU  48          HD21      LEU  48   8.016  -9.059 -15.566
  371   HD22  LEU  48          HD22      LEU  48   7.754  -7.331 -15.775
  372   HD23  LEU  48          HD23      LEU  48   7.760  -8.396 -17.185
  373    H    THR  49           HN       THR  49   3.356  -7.461 -19.406
  374    HA   THR  49           HA       THR  49   3.675 -10.119 -20.297
  375    HB   THR  49           HB       THR  49   1.735  -8.026 -21.373
  376    HG1  THR  49           HG1      THR  49   0.418  -8.576 -19.698
  377   HG21  THR  49          HG21      THR  49   1.818 -10.109 -22.718
  378   HG22  THR  49          HG22      THR  49   0.277  -9.938 -21.874
  379   HG23  THR  49          HG23      THR  49   1.499 -11.054 -21.262
  380    H    GLU  50           HN       GLU  50   4.060  -7.001 -21.964
  381    HA   GLU  50           HA       GLU  50   4.673  -7.888 -24.552
  382    HB2  GLU  50           HB2      GLU  50   5.899  -5.455 -23.187
  383    HB3  GLU  50           HB1      GLU  50   5.763  -5.723 -24.921
  384    HG2  GLU  50           HG2      GLU  50   3.503  -5.219 -22.978
  385    HG3  GLU  50           HG1      GLU  50   4.129  -4.101 -24.164
  386    H    HIS  51           HN       HIS  51   6.825  -7.381 -21.756
  387    HA   HIS  51           HA       HIS  51   9.275  -8.119 -23.040
  388    HB2  HIS  51           HB2      HIS  51   9.339  -6.753 -21.038
  389    HB3  HIS  51           HB1      HIS  51   8.436  -7.948 -20.114
  390    HD1  HIS  51           HD1      HIS  51  11.915  -7.428 -21.608
  391    HD2  HIS  51           HD2      HIS  51   9.944  -9.812 -18.838
  392    HE1  HIS  51           HE1      HIS  51  13.693  -8.778 -20.428
  393    H    LYS  52           HN       LYS  52   6.760  -9.888 -21.366
  394    HA   LYS  52           HA       LYS  52   8.159 -12.325 -20.892
  395    HB2  LYS  52           HB2      LYS  52   6.194 -11.570 -19.593
  396    HB3  LYS  52           HB1      LYS  52   5.176 -11.740 -21.013
  397    HG2  LYS  52           HG2      LYS  52   5.666 -14.221 -20.980
  398    HG3  LYS  52           HG1      LYS  52   6.523 -13.973 -19.452
  399    HD2  LYS  52           HD2      LYS  52   4.439 -13.051 -18.450
  400    HD3  LYS  52           HD1      LYS  52   3.590 -13.332 -19.969
  401    HE2  LYS  52           HE2      LYS  52   4.040 -15.768 -19.729
  402    HE3  LYS  52           HE1      LYS  52   4.788 -15.454 -18.167
  403    HZ1  LYS  52           HZ1      LYS  52   1.966 -14.860 -18.871
  404    HZ2  LYS  52           HZ2      LYS  52   2.687 -14.583 -17.367
  405    HZ3  LYS  52           HZ3      LYS  52   2.487 -16.160 -17.937
  406    H    VAL  53           HN       VAL  53   5.966 -11.253 -23.507
  407    HA   VAL  53           HA       VAL  53   5.722 -13.887 -24.651
  408    HB   VAL  53           HB       VAL  53   4.309 -12.806 -26.365
  409   HG11  VAL  53          HG11      VAL  53   3.264 -13.495 -24.268
  410   HG12  VAL  53          HG12      VAL  53   2.488 -12.031 -24.865
  411   HG13  VAL  53          HG13      VAL  53   3.641 -11.936 -23.531
  412   HG21  VAL  53          HG21      VAL  53   4.969 -10.161 -25.003
  413   HG22  VAL  53          HG22      VAL  53   3.743 -10.392 -26.255
  414   HG23  VAL  53          HG23      VAL  53   5.450 -10.639 -26.634
  415    H    THR  54           HN       THR  54   7.388 -10.904 -25.561
  416    HA   THR  54           HA       THR  54   8.751 -12.253 -27.829
  417    HB   THR  54           HB       THR  54   9.543  -9.965 -28.476
  418    HG1  THR  54           HG1      THR  54   9.515  -9.019 -26.391
  419   HG21  THR  54          HG21      THR  54   6.528 -10.144 -28.062
  420   HG22  THR  54          HG22      THR  54   7.428 -10.783 -29.445
  421   HG23  THR  54          HG23      THR  54   7.350  -9.043 -29.168
  422    H    HIS  55           HN       HIS  55   9.300 -12.738 -24.944
  423    HA   HIS  55           HA       HIS  55  11.686 -11.798 -24.021
  424    HB2  HIS  55           HB2      HIS  55   9.933 -13.621 -23.090
  425    HB3  HIS  55           HB1      HIS  55  11.137 -14.756 -23.687
  426    HD1  HIS  55           HD1      HIS  55  13.585 -14.512 -22.539
  427    HD2  HIS  55           HD2      HIS  55  10.491 -12.412 -20.752
  428    HE1  HIS  55           HE1      HIS  55  14.426 -13.820 -20.264
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -11.978  22.527   6.519
    2    H2   MET   1           HT2      MET   1 -10.814  22.385   5.308
    3    H3   MET   1           HT3      MET   1 -11.573  23.871   5.579
    4    HA   MET   1           HA       MET   1  -9.359  23.877   6.466
    5    HB2  MET   1           HB2      MET   1 -11.529  23.847   8.608
    6    HB3  MET   1           HB1      MET   1  -9.924  24.537   8.823
    7    HG2  MET   1           HG2      MET   1 -12.038  25.516   6.880
    8    HG3  MET   1           HG1      MET   1 -11.551  26.294   8.390
    9    HE1  MET   1           HE1      MET   1 -10.094  28.697   5.582
   10    HE2  MET   1           HE2      MET   1 -11.131  28.612   7.004
   11    HE3  MET   1           HE3      MET   1 -11.610  27.795   5.516
   12    H    GLY   2           HN       GLY   2  -7.985  23.149   8.328
   13    HA2  GLY   2           HA2      GLY   2  -7.604  21.329  10.003
   14    HA3  GLY   2           HA1      GLY   2  -8.200  20.208   8.777
   15    H    SER   3           HN       SER   3  -6.278  19.023   8.622
   16    HA   SER   3           HA       SER   3  -4.299  20.202   6.833
   17    HB2  SER   3           HB2      SER   3  -3.438  18.925   9.476
   18    HB3  SER   3           HB1      SER   3  -2.351  19.412   8.173
   19    HG   SER   3           HG       SER   3  -3.616  21.550   8.584
   20    H    HIS   4           HN       HIS   4  -5.067  18.700   5.282
   21    HA   HIS   4           HA       HIS   4  -4.620  15.885   5.509
   22    HB2  HIS   4           HB2      HIS   4  -4.556  17.697   3.060
   23    HB3  HIS   4           HB1      HIS   4  -4.275  15.964   2.949
   24    HD1  HIS   4           HD1      HIS   4  -6.978  18.480   3.541
   25    HD2  HIS   4           HD2      HIS   4  -6.577  14.352   3.275
   26    HE1  HIS   4           HE1      HIS   4  -9.318  17.576   3.484
   27    HE2  HIS   4           HE2      HIS   4  -9.046  15.081   3.455
   28    H    LYS   5           HN       LYS   5  -2.826  15.995   6.889
   29    HA   LYS   5           HA       LYS   5  -0.223  15.979   5.522
   30    HB2  LYS   5           HB2      LYS   5  -0.364  18.010   6.968
   31    HB3  LYS   5           HB1      LYS   5  -0.796  17.017   8.349
   32    HG2  LYS   5           HG2      LYS   5   1.396  16.040   8.459
   33    HG3  LYS   5           HG1      LYS   5   1.849  16.712   6.887
   34    HD2  LYS   5           HD2      LYS   5   2.897  17.979   8.736
   35    HD3  LYS   5           HD1      LYS   5   1.783  18.997   7.825
   36    HE2  LYS   5           HE2      LYS   5   1.524  19.438  10.192
   37    HE3  LYS   5           HE1      LYS   5   0.066  18.648   9.605
   38    HZ1  LYS   5           HZ1      LYS   5   0.735  17.757  11.709
   39    HZ2  LYS   5           HZ2      LYS   5   2.270  17.364  11.118
   40    HZ3  LYS   5           HZ3      LYS   5   0.901  16.563  10.525
   41    H    CYS   6           HN       CYS   6   1.138  14.328   6.275
   42    HA   CYS   6           HA       CYS   6  -0.139  11.877   6.463
   43    HB2  CYS   6           HB2      CYS   6   2.134  12.210   5.517
   44    HB3  CYS   6           HB1      CYS   6   2.766  12.501   7.136
   45    H    ASN   7           HN       ASN   7  -1.402  11.358   8.234
   46    HA   ASN   7           HA       ASN   7  -0.931  12.075  10.886
   47    HB2  ASN   7           HB2      ASN   7  -2.568  10.257  11.492
   48    HB3  ASN   7           HB1      ASN   7  -3.128  11.366  10.251
   49   HD21  ASN   7          HD21      ASN   7  -4.697   9.732   9.771
   50   HD22  ASN   7          HD22      ASN   7  -4.283   8.376   8.785
   51    H    VAL   8           HN       VAL   8   0.556   9.557   9.051
   52    HA   VAL   8           HA       VAL   8   1.545   7.962  11.234
   53    HB   VAL   8           HB       VAL   8   2.684   8.098   8.399
   54   HG11  VAL   8          HG11      VAL   8   4.123   6.894   9.952
   55   HG12  VAL   8          HG12      VAL   8   3.395   5.770   8.806
   56   HG13  VAL   8          HG13      VAL   8   2.771   5.868  10.454
   57   HG21  VAL   8          HG21      VAL   8   0.387   6.358   9.387
   58   HG22  VAL   8          HG22      VAL   8   1.161   6.230   7.804
   59   HG23  VAL   8          HG23      VAL   8   0.277   7.693   8.233
   60    H    CYS   9           HN       CYS   9   3.186  10.262   8.985
   61    HA   CYS   9           HA       CYS   9   5.609  10.297  10.652
   62    HB2  CYS   9           HB2      CYS   9   5.121  11.826   8.062
   63    HB3  CYS   9           HB1      CYS   9   6.671  11.521   8.837
   64    H    SER  10           HN       SER  10   3.331  12.621   9.284
   65    HA   SER  10           HA       SER  10   2.420  14.563   9.908
   66    HB2  SER  10           HB2      SER  10   3.940  14.264  12.534
   67    HB3  SER  10           HB1      SER  10   2.703  15.488  12.209
   68    HG   SER  10           HG       SER  10   1.228  13.766  11.867
   69    H    ARG  11           HN       ARG  11   5.403  14.106   8.944
   70    HA   ARG  11           HA       ARG  11   6.919  16.326   9.525
   71    HB2  ARG  11           HB2      ARG  11   6.843  14.650   6.998
   72    HB3  ARG  11           HB1      ARG  11   8.108  15.823   7.344
   73    HG2  ARG  11           HG2      ARG  11   7.480  13.412   9.085
   74    HG3  ARG  11           HG1      ARG  11   8.738  13.462   7.846
   75    HD2  ARG  11           HD2      ARG  11   8.610  15.232  10.312
   76    HD3  ARG  11           HD1      ARG  11   9.653  13.822  10.110
   77    HE   ARG  11           HE       ARG  11   9.982  15.853   8.072
   78   HH11  ARG  11          HH11      ARG  11  11.097  14.780  11.222
   79   HH12  ARG  11          HH12      ARG  11  12.601  15.634  11.102
   80   HH21  ARG  11          HH21      ARG  11  11.941  16.947   7.929
   81   HH22  ARG  11          HH22      ARG  11  13.078  16.862   9.236
   82    H    THR  12           HN       THR  12   4.468  16.161   6.797
   83    HA   THR  12           HA       THR  12   4.469  18.860   6.210
   84    HB   THR  12           HB       THR  12   6.928  18.605   5.852
   85    HG1  THR  12           HG1      THR  12   6.188  20.248   4.655
   86   HG21  THR  12          HG21      THR  12   7.824  17.391   3.881
   87   HG22  THR  12          HG22      THR  12   6.207  16.799   3.504
   88   HG23  THR  12          HG23      THR  12   7.004  16.280   4.987
   89    H    PHE  13           HN       PHE  13   4.104  19.258   3.800
   90    HA   PHE  13           HA       PHE  13   3.389  17.336   1.936
   91    HB2  PHE  13           HB2      PHE  13   0.971  17.801   1.525
   92    HB3  PHE  13           HB1      PHE  13   1.218  16.993   3.052
   93    HD1  PHE  13           HD1      PHE  13   1.105  18.425   5.207
   94    HD2  PHE  13           HD2      PHE  13  -0.207  19.872   1.412
   95    HE1  PHE  13           HE1      PHE  13  -0.272  20.137   6.325
   96    HE2  PHE  13           HE2      PHE  13  -1.567  21.582   2.531
   97    HZ   PHE  13           HZ       PHE  13  -1.611  21.715   4.990
   98    H    PHE  14           HN       PHE  14   2.963  18.373  -0.149
   99    HA   PHE  14           HA       PHE  14   4.009  21.115  -0.310
  100    HB2  PHE  14           HB2      PHE  14   4.826  19.398  -1.931
  101    HB3  PHE  14           HB1      PHE  14   3.183  19.141  -2.503
  102    HD1  PHE  14           HD1      PHE  14   5.904  21.696  -2.303
  103    HD2  PHE  14           HD2      PHE  14   2.296  20.516  -4.274
  104    HE1  PHE  14           HE1      PHE  14   6.243  23.452  -3.994
  105    HE2  PHE  14           HE2      PHE  14   2.650  22.275  -5.960
  106    HZ   PHE  14           HZ       PHE  14   4.621  23.742  -5.823
  107    H    SER  15           HN       SER  15   1.241  19.252  -1.406
  108    HA   SER  15           HA       SER  15  -0.687  21.243  -0.554
  109    HB2  SER  15           HB2      SER  15  -0.114  21.780  -2.997
  110    HB3  SER  15           HB1      SER  15  -0.781  20.207  -3.428
  111    HG   SER  15           HG       SER  15  -2.196  22.256  -2.048
  112    H    GLU  16           HN       GLU  16  -3.011  19.948  -1.506
  113    HA   GLU  16           HA       GLU  16  -3.179  17.749   0.308
  114    HB2  GLU  16           HB2      GLU  16  -5.140  19.184  -0.321
  115    HB3  GLU  16           HB1      GLU  16  -5.094  18.503  -1.944
  116    HG2  GLU  16           HG2      GLU  16  -5.554  16.253  -1.000
  117    HG3  GLU  16           HG1      GLU  16  -5.652  16.963   0.612
  118    H    ASN  17           HN       ASN  17  -2.653  18.027  -3.184
  119    HA   ASN  17           HA       ASN  17  -2.769  15.216  -3.814
  120    HB2  ASN  17           HB2      ASN  17  -3.167  17.090  -5.496
  121    HB3  ASN  17           HB1      ASN  17  -1.461  17.486  -5.397
  122   HD21  ASN  17          HD21      ASN  17  -3.053  16.705  -7.706
  123   HD22  ASN  17          HD22      ASN  17  -2.290  15.305  -8.375
  124    H    GLY  18           HN       GLY  18  -0.330  17.524  -2.892
  125    HA2  GLY  18           HA2      GLY  18   2.074  16.139  -3.309
  126    HA3  GLY  18           HA1      GLY  18   1.806  17.339  -2.050
  127    H    LEU  19           HN       LEU  19   0.003  16.188  -0.387
  128    HA   LEU  19           HA       LEU  19   1.394  14.250   1.067
  129    HB2  LEU  19           HB2      LEU  19  -0.453  15.909   1.802
  130    HB3  LEU  19           HB1      LEU  19  -1.599  14.706   1.280
  131    HG   LEU  19           HG       LEU  19  -0.991  14.801   3.802
  132   HD11  LEU  19          HD11      LEU  19  -0.796  12.097   2.446
  133   HD12  LEU  19          HD12      LEU  19  -2.280  12.930   2.903
  134   HD13  LEU  19          HD13      LEU  19  -1.165  12.383   4.153
  135   HD21  LEU  19          HD21      LEU  19   1.514  13.369   2.854
  136   HD22  LEU  19          HD22      LEU  19   1.017  13.626   4.524
  137   HD23  LEU  19          HD23      LEU  19   1.448  15.006   3.523
  138    H    ARG  20           HN       ARG  20  -1.308  13.907  -1.227
  139    HA   ARG  20           HA       ARG  20  -1.800  11.147  -0.970
  140    HB2  ARG  20           HB2      ARG  20  -2.037  12.923  -3.434
  141    HB3  ARG  20           HB1      ARG  20  -2.685  11.290  -3.336
  142    HG2  ARG  20           HG2      ARG  20  -3.523  13.564  -1.510
  143    HG3  ARG  20           HG1      ARG  20  -4.384  13.085  -2.970
  144    HD2  ARG  20           HD2      ARG  20  -3.905  11.337  -0.531
  145    HD3  ARG  20           HD1      ARG  20  -5.426  12.136  -0.950
  146    HE   ARG  20           HE       ARG  20  -4.752  10.580  -3.137
  147   HH11  ARG  20          HH11      ARG  20  -5.438   9.945   0.261
  148   HH12  ARG  20          HH12      ARG  20  -6.162   8.402  -0.060
  149   HH21  ARG  20          HH21      ARG  20  -5.681   8.561  -3.519
  150   HH22  ARG  20          HH22      ARG  20  -6.296   7.616  -2.200
  151    H    GLU  21           HN       GLU  21   0.560  12.815  -3.032
  152    HA   GLU  21           HA       GLU  21   1.703  10.603  -4.318
  153    HB2  GLU  21           HB2      GLU  21   1.976  13.072  -4.889
  154    HB3  GLU  21           HB1      GLU  21   3.122  13.196  -3.565
  155    HG2  GLU  21           HG2      GLU  21   3.531  11.289  -5.890
  156    HG3  GLU  21           HG1      GLU  21   4.028  12.973  -5.965
  157    H    HIS  22           HN       HIS  22   2.506  12.255  -1.273
  158    HA   HIS  22           HA       HIS  22   4.749  10.676  -0.546
  159    HB2  HIS  22           HB2      HIS  22   4.513  12.817   0.565
  160    HB3  HIS  22           HB1      HIS  22   2.886  12.429   1.120
  161    HD1  HIS  22           HD1      HIS  22   6.471  11.258   1.714
  162    HD2  HIS  22           HD2      HIS  22   2.786  11.351   3.627
  163    HE1  HIS  22           HE1      HIS  22   6.831  10.246   3.998
  164    H    LEU  23           HN       LEU  23   1.293  10.211  -0.135
  165    HA   LEU  23           HA       LEU  23   1.242   8.572   2.140
  166    HB2  LEU  23           HB2      LEU  23  -0.665   9.852   1.072
  167    HB3  LEU  23           HB1      LEU  23  -0.748   8.583  -0.133
  168    HG   LEU  23           HG       LEU  23  -1.130   6.954   1.816
  169   HD11  LEU  23          HD11      LEU  23  -1.648   9.525   3.336
  170   HD12  LEU  23          HD12      LEU  23  -0.346   8.372   3.632
  171   HD13  LEU  23          HD13      LEU  23  -2.017   7.891   3.907
  172   HD21  LEU  23          HD21      LEU  23  -3.260   9.053   1.262
  173   HD22  LEU  23          HD22      LEU  23  -3.546   7.443   1.927
  174   HD23  LEU  23          HD23      LEU  23  -2.936   7.616   0.286
  175    H    GLN  24           HN       GLN  24   1.995   7.851  -1.157
  176    HA   GLN  24           HA       GLN  24   1.620   5.073  -1.279
  177    HB2  GLN  24           HB2      GLN  24   3.498   6.929  -2.759
  178    HB3  GLN  24           HB1      GLN  24   3.276   5.232  -3.178
  179    HG2  GLN  24           HG2      GLN  24   1.056   7.298  -3.152
  180    HG3  GLN  24           HG1      GLN  24   1.950   6.781  -4.569
  181   HE21  GLN  24          HE21      GLN  24  -0.906   6.580  -4.067
  182   HE22  GLN  24          HE22      GLN  24  -1.309   4.907  -4.211
  183    H    THR  25           HN       THR  25   3.958   6.818   0.519
  184    HA   THR  25           HA       THR  25   6.052   4.854   0.624
  185    HB   THR  25           HB       THR  25   6.859   6.114   2.634
  186    HG1  THR  25           HG1      THR  25   5.139   8.212   2.365
  187   HG21  THR  25          HG21      THR  25   7.573   6.889   0.401
  188   HG22  THR  25          HG22      THR  25   7.385   8.246   1.513
  189   HG23  THR  25          HG23      THR  25   6.144   7.921   0.302
  190    H    HIS  26           HN       HIS  26   2.911   4.998   1.879
  191    HA   HIS  26           HA       HIS  26   3.430   2.978   3.981
  192    HB2  HIS  26           HB2      HIS  26   1.143   5.001   3.983
  193    HB3  HIS  26           HB1      HIS  26   1.568   3.892   5.283
  194    HD1  HIS  26           HD1      HIS  26   3.996   4.399   6.438
  195    HD2  HIS  26           HD2      HIS  26   2.341   7.421   4.114
  196    HE1  HIS  26           HE1      HIS  26   5.287   6.501   6.963
  197    H    ARG  27           HN       ARG  27   2.737   2.816   0.994
  198    HA   ARG  27           HA       ARG  27   0.031   1.822   0.814
  199    HB2  ARG  27           HB2      ARG  27   0.532   1.251  -1.481
  200    HB3  ARG  27           HB1      ARG  27   1.283   2.808  -1.145
  201    HG2  ARG  27           HG2      ARG  27   3.478   1.755  -0.956
  202    HG3  ARG  27           HG1      ARG  27   2.768   0.152  -1.160
  203    HD2  ARG  27           HD2      ARG  27   2.048   0.771  -3.453
  204    HD3  ARG  27           HD1      ARG  27   2.759   2.373  -3.234
  205    HE   ARG  27           HE       ARG  27   4.886   1.480  -3.435
  206   HH11  ARG  27          HH11      ARG  27   2.579  -1.172  -3.438
  207   HH12  ARG  27          HH12      ARG  27   3.709  -2.298  -4.117
  208   HH21  ARG  27          HH21      ARG  27   6.356  -0.008  -4.293
  209   HH22  ARG  27          HH22      ARG  27   5.846  -1.640  -4.608
  210    H    GLY  28           HN       GLY  28   3.113   0.489   1.629
  211    HA2  GLY  28           HA2      GLY  28   2.633  -2.279   1.081
  212    HA3  GLY  28           HA1      GLY  28   3.915  -1.613   2.079
  213    HA   PRO  29           HA       PRO  29   0.500  -3.802   4.643
  214    HB2  PRO  29           HB2      PRO  29   2.627  -5.767   5.357
  215    HB3  PRO  29           HB1      PRO  29   0.978  -6.061   4.791
  216    HG2  PRO  29           HG2      PRO  29   3.124  -6.522   3.210
  217    HG3  PRO  29           HG1      PRO  29   1.584  -5.929   2.551
  218    HD2  PRO  29           HD2      PRO  29   4.102  -4.384   3.174
  219    HD3  PRO  29           HD1      PRO  29   3.038  -4.279   1.750
  220    H    ALA  30           HN       ALA  30   0.294  -3.444   6.809
  221    HA   ALA  30           HA       ALA  30   2.442  -2.063   8.268
  222    HB1  ALA  30           HB1      ALA  30  -0.497  -2.453   8.981
  223    HB2  ALA  30           HB2      ALA  30   0.185  -1.028   8.195
  224    HB3  ALA  30           HB3      ALA  30   0.653  -1.435   9.847
  225    H    LYS  31           HN       LYS  31   2.637  -4.952   7.743
  226    HA   LYS  31           HA       LYS  31   1.795  -6.363  10.174
  227    HB2  LYS  31           HB2      LYS  31   2.961  -7.396   7.547
  228    HB3  LYS  31           HB1      LYS  31   2.361  -8.398   8.869
  229    HG2  LYS  31           HG2      LYS  31   0.080  -7.546   8.502
  230    HG3  LYS  31           HG1      LYS  31   0.668  -6.481   7.225
  231    HD2  LYS  31           HD2      LYS  31  -0.384  -8.507   6.285
  232    HD3  LYS  31           HD1      LYS  31   1.328  -8.411   5.863
  233    HE2  LYS  31           HE2      LYS  31   1.852 -10.027   7.669
  234    HE3  LYS  31           HE1      LYS  31   0.136 -10.138   8.064
  235    HZ1  LYS  31           HZ1      LYS  31   1.405 -10.926   5.498
  236    HZ2  LYS  31           HZ2      LYS  31  -0.251 -10.979   5.816
  237    HZ3  LYS  31           HZ3      LYS  31   0.806 -11.970   6.685
  238    H    HIS  32           HN       HIS  32   3.216  -6.637  11.740
  239    HA   HIS  32           HA       HIS  32   5.865  -7.566  11.466
  240    HB2  HIS  32           HB2      HIS  32   6.522  -5.328  10.815
  241    HB3  HIS  32           HB1      HIS  32   5.537  -4.593  12.071
  242    HD1  HIS  32           HD1      HIS  32   6.941  -3.661  13.878
  243    HD2  HIS  32           HD2      HIS  32   8.679  -7.079  12.262
  244    HE1  HIS  32           HE1      HIS  32   9.051  -4.027  15.178
  245    HE2  HIS  32           HE2      HIS  32   9.996  -6.187  14.306
  246    H    TYR  33           HN       TYR  33   6.495  -8.463  13.408
  247    HA   TYR  33           HA       TYR  33   5.343  -7.375  15.889
  248    HB2  TYR  33           HB2      TYR  33   4.316  -9.726  15.039
  249    HB3  TYR  33           HB1      TYR  33   5.766 -10.368  15.796
  250    HD1  TYR  33           HD1      TYR  33   2.704  -8.341  16.449
  251    HD2  TYR  33           HD2      TYR  33   5.909 -10.520  18.228
  252    HE1  TYR  33           HE1      TYR  33   1.609  -8.180  18.642
  253    HE2  TYR  33           HE2      TYR  33   4.810 -10.364  20.416
  254    HH   TYR  33           HH       TYR  33   3.154  -8.902  21.556
  255    H    MET  34           HN       MET  34   6.651  -7.462  17.646
  256    HA   MET  34           HA       MET  34   9.531  -7.975  17.228
  257    HB2  MET  34           HB2      MET  34   8.982  -5.631  17.805
  258    HB3  MET  34           HB1      MET  34   8.034  -6.156  19.185
  259    HG2  MET  34           HG2      MET  34  10.126  -7.039  20.238
  260    HG3  MET  34           HG1      MET  34  11.041  -6.387  18.882
  261    HE1  MET  34           HE1      MET  34   7.926  -4.798  20.751
  262    HE2  MET  34           HE2      MET  34   8.738  -3.775  21.936
  263    HE3  MET  34           HE3      MET  34   8.858  -5.532  22.054
  264    H    CYS  35           HN       CYS  35  10.405  -9.637  18.421
  265    HA   CYS  35           HA       CYS  35   8.801 -11.447  19.867
  266    HB2  CYS  35           HB2      CYS  35  10.860 -12.168  18.832
  267    HB3  CYS  35           HB1      CYS  35  11.799 -11.067  19.804
  268    HA   PRO  36           HA       PRO  36   8.581  -9.280  23.848
  269    HB2  PRO  36           HB2      PRO  36   7.665 -11.417  25.364
  270    HB3  PRO  36           HB1      PRO  36   6.627 -10.431  24.327
  271    HG2  PRO  36           HG2      PRO  36   7.911 -13.095  23.732
  272    HG3  PRO  36           HG1      PRO  36   6.244 -12.562  23.424
  273    HD2  PRO  36           HD2      PRO  36   8.055 -12.585  21.451
  274    HD3  PRO  36           HD1      PRO  36   6.858 -11.270  21.563
  275    H    ILE  37           HN       ILE  37  10.383 -12.283  23.329
  276    HA   ILE  37           HA       ILE  37  11.755 -12.101  25.900
  277    HB   ILE  37           HB       ILE  37  12.056 -14.213  23.730
  278   HG12  ILE  37          HG12      ILE  37  10.148 -14.306  26.128
  279   HG13  ILE  37          HG11      ILE  37   9.646 -13.959  24.477
  280   HG21  ILE  37          HG21      ILE  37  13.852 -14.231  25.394
  281   HG22  ILE  37          HG22      ILE  37  12.838 -15.659  25.580
  282   HG23  ILE  37          HG23      ILE  37  12.676 -14.308  26.706
  283   HD11  ILE  37          HD11      ILE  37  10.372 -16.203  23.795
  284   HD12  ILE  37          HD12      ILE  37   9.160 -16.246  25.075
  285   HD13  ILE  37          HD13      ILE  37  10.853 -16.543  25.461
  286    H    CYS  38           HN       CYS  38  12.784 -12.351  22.403
  287    HA   CYS  38           HA       CYS  38  15.220 -10.879  23.128
  288    HB2  CYS  38           HB2      CYS  38  16.551 -12.355  21.771
  289    HB3  CYS  38           HB1      CYS  38  15.704 -13.270  22.979
  290    H    GLY  39           HN       GLY  39  12.575 -10.391  21.422
  291    HA2  GLY  39           HA2      GLY  39  11.961  -8.794  19.972
  292    HA3  GLY  39           HA1      GLY  39  13.270  -7.913  20.724
  293    H    GLU  40           HN       GLU  40  13.854 -10.576  18.385
  294    HA   GLU  40           HA       GLU  40  14.783  -8.737  16.385
  295    HB2  GLU  40           HB2      GLU  40  15.082 -10.735  14.967
  296    HB3  GLU  40           HB1      GLU  40  15.876 -10.889  16.520
  297    HG2  GLU  40           HG2      GLU  40  13.137 -12.070  16.103
  298    HG3  GLU  40           HG1      GLU  40  14.556 -12.894  15.501
  299    H    ARG  41           HN       ARG  41  13.917  -8.635  14.202
  300    HA   ARG  41           HA       ARG  41  11.087  -7.986  14.289
  301    HB2  ARG  41           HB2      ARG  41  13.116  -7.629  12.026
  302    HB3  ARG  41           HB1      ARG  41  11.510  -6.911  12.095
  303    HG2  ARG  41           HG2      ARG  41  12.179  -5.516  13.995
  304    HG3  ARG  41           HG1      ARG  41  13.773  -6.282  14.025
  305    HD2  ARG  41           HD2      ARG  41  14.178  -5.403  11.710
  306    HD3  ARG  41           HD1      ARG  41  12.625  -4.563  11.788
  307    HE   ARG  41           HE       ARG  41  14.042  -3.735  14.011
  308   HH11  ARG  41          HH11      ARG  41  14.520  -3.557  10.535
  309   HH12  ARG  41          HH12      ARG  41  15.458  -2.102  10.616
  310   HH21  ARG  41          HH21      ARG  41  15.282  -1.824  14.107
  311   HH22  ARG  41          HH22      ARG  41  15.889  -1.121  12.636
  312    H    PHE  42           HN       PHE  42   9.522  -9.375  13.581
  313    HA   PHE  42           HA       PHE  42  10.110 -11.127  11.262
  314    HB2  PHE  42           HB2      PHE  42   8.267 -11.613  13.631
  315    HB3  PHE  42           HB1      PHE  42   8.077 -12.490  12.120
  316    HD1  PHE  42           HD1      PHE  42  10.248 -12.051  15.065
  317    HD2  PHE  42           HD2      PHE  42   9.748 -14.112  11.355
  318    HE1  PHE  42           HE1      PHE  42  12.011 -13.632  15.693
  319    HE2  PHE  42           HE2      PHE  42  11.521 -15.693  11.996
  320    HZ   PHE  42           HZ       PHE  42  12.659 -15.455  14.170
  321    HA   PRO  43           HA       PRO  43   7.330  -8.619   8.929
  322    HB2  PRO  43           HB2      PRO  43   6.591 -10.340   6.935
  323    HB3  PRO  43           HB1      PRO  43   8.225  -9.683   7.068
  324    HG2  PRO  43           HG2      PRO  43   7.176 -12.347   8.017
  325    HG3  PRO  43           HG1      PRO  43   8.636 -12.000   7.060
  326    HD2  PRO  43           HD2      PRO  43   8.777 -12.404   9.717
  327    HD3  PRO  43           HD1      PRO  43   9.819 -11.204   8.919
  328    H    SER  44           HN       SER  44   6.086 -11.274  10.708
  329    HA   SER  44           HA       SER  44   3.379 -10.194  10.547
  330    HB2  SER  44           HB2      SER  44   2.372 -12.442   9.995
  331    HB3  SER  44           HB1      SER  44   3.321 -11.769   8.678
  332    HG   SER  44           HG       SER  44   4.092 -13.767   8.784
  333    H    LEU  45           HN       LEU  45   1.917 -11.253  12.015
  334    HA   LEU  45           HA       LEU  45   3.120 -12.213  14.530
  335    HB2  LEU  45           HB2      LEU  45   1.079 -10.444  14.087
  336    HB3  LEU  45           HB1      LEU  45   0.127 -11.909  14.153
  337    HG   LEU  45           HG       LEU  45   1.862 -10.778  16.385
  338   HD11  LEU  45          HD11      LEU  45  -1.158 -10.980  16.184
  339   HD12  LEU  45          HD12      LEU  45  -0.194  -9.510  16.050
  340   HD13  LEU  45          HD13      LEU  45  -0.246 -10.381  17.579
  341   HD21  LEU  45          HD21      LEU  45   1.919 -13.207  16.533
  342   HD22  LEU  45          HD22      LEU  45   0.157 -13.282  16.463
  343   HD23  LEU  45          HD23      LEU  45   0.961 -12.533  17.848
  344    H    LEU  46           HN       LEU  46   3.649 -13.959  12.653
  345    HA   LEU  46           HA       LEU  46   2.022 -16.334  13.092
  346    HB2  LEU  46           HB2      LEU  46   2.661 -15.248  10.307
  347    HB3  LEU  46           HB1      LEU  46   2.161 -16.904  10.605
  348    HG   LEU  46           HG       LEU  46   0.458 -14.423  11.064
  349   HD11  LEU  46          HD11      LEU  46   0.737 -14.914   8.690
  350   HD12  LEU  46          HD12      LEU  46  -0.909 -15.277   9.199
  351   HD13  LEU  46          HD13      LEU  46   0.246 -16.589   8.949
  352   HD21  LEU  46          HD21      LEU  46  -0.122 -16.126  12.719
  353   HD22  LEU  46          HD22      LEU  46  -0.276 -17.349  11.455
  354   HD23  LEU  46          HD23      LEU  46  -1.398 -15.989  11.511
  355    H    THR  47           HN       THR  47   4.688 -14.935  11.178
  356    HA   THR  47           HA       THR  47   6.519 -17.073  11.380
  357    HB   THR  47           HB       THR  47   8.245 -15.231  10.825
  358    HG1  THR  47           HG1      THR  47   6.200 -13.483  10.145
  359   HG21  THR  47          HG21      THR  47   5.822 -15.420   8.992
  360   HG22  THR  47          HG22      THR  47   7.159 -16.571   9.045
  361   HG23  THR  47          HG23      THR  47   7.448 -14.912   8.527
  362    H    LEU  48           HN       LEU  48   5.952 -14.203  13.424
  363    HA   LEU  48           HA       LEU  48   8.047 -14.588  15.266
  364    HB2  LEU  48           HB2      LEU  48   6.576 -12.528  15.020
  365    HB3  LEU  48           HB1      LEU  48   5.305 -13.394  15.854
  366    HG   LEU  48           HG       LEU  48   6.668 -11.700  17.227
  367   HD11  LEU  48          HD11      LEU  48   5.223 -13.327  18.355
  368   HD12  LEU  48          HD12      LEU  48   6.669 -12.981  19.297
  369   HD13  LEU  48          HD13      LEU  48   6.550 -14.493  18.394
  370   HD21  LEU  48          HD21      LEU  48   8.791 -13.850  17.090
  371   HD22  LEU  48          HD22      LEU  48   8.813 -12.449  18.158
  372   HD23  LEU  48          HD23      LEU  48   8.886 -12.216  16.418
  373    H    THR  49           HN       THR  49   4.788 -15.911  15.125
  374    HA   THR  49           HA       THR  49   4.698 -17.182  17.638
  375    HB   THR  49           HB       THR  49   3.209 -17.950  15.093
  376    HG1  THR  49           HG1      THR  49   1.835 -16.306  15.520
  377   HG21  THR  49          HG21      THR  49   2.422 -18.317  18.012
  378   HG22  THR  49          HG22      THR  49   2.940 -19.603  16.919
  379   HG23  THR  49          HG23      THR  49   1.433 -18.741  16.611
  380    H    GLU  50           HN       GLU  50   5.671 -18.334  14.448
  381    HA   GLU  50           HA       GLU  50   6.314 -21.009  15.017
  382    HB2  GLU  50           HB2      GLU  50   7.701 -19.147  13.041
  383    HB3  GLU  50           HB1      GLU  50   7.770 -20.908  13.014
  384    HG2  GLU  50           HG2      GLU  50   5.321 -19.186  12.524
  385    HG3  GLU  50           HG1      GLU  50   6.248 -20.075  11.327
  386    H    HIS  51           HN       HIS  51   8.318 -18.094  15.146
  387    HA   HIS  51           HA       HIS  51  10.734 -19.195  16.074
  388    HB2  HIS  51           HB2      HIS  51  10.738 -16.993  15.144
  389    HB3  HIS  51           HB1      HIS  51   9.465 -16.439  16.222
  390    HD1  HIS  51           HD1      HIS  51  13.147 -17.465  16.416
  391    HD2  HIS  51           HD2      HIS  51  10.352 -15.091  18.380
  392    HE1  HIS  51           HE1      HIS  51  14.409 -16.203  18.201
  393    H    LYS  52           HN       LYS  52   7.896 -18.013  17.767
  394    HA   LYS  52           HA       LYS  52   9.002 -17.884  20.375
  395    HB2  LYS  52           HB2      LYS  52   7.084 -16.523  19.584
  396    HB3  LYS  52           HB1      LYS  52   6.091 -17.976  19.505
  397    HG2  LYS  52           HG2      LYS  52   6.199 -18.242  21.927
  398    HG3  LYS  52           HG1      LYS  52   7.349 -16.910  22.057
  399    HD2  LYS  52           HD2      LYS  52   5.058 -16.219  22.711
  400    HD3  LYS  52           HD1      LYS  52   5.656 -15.304  21.326
  401    HE2  LYS  52           HE2      LYS  52   4.294 -16.631  19.799
  402    HE3  LYS  52           HE1      LYS  52   3.784 -17.695  21.114
  403    HZ1  LYS  52           HZ1      LYS  52   3.209 -14.786  20.989
  404    HZ2  LYS  52           HZ2      LYS  52   2.621 -15.885  22.124
  405    HZ3  LYS  52           HZ3      LYS  52   2.130 -15.998  20.515
  406    H    VAL  53           HN       VAL  53   7.178 -20.459  18.698
  407    HA   VAL  53           HA       VAL  53   6.966 -22.113  21.048
  408    HB   VAL  53           HB       VAL  53   6.049 -23.834  19.570
  409   HG11  VAL  53          HG11      VAL  53   4.526 -22.093  20.380
  410   HG12  VAL  53          HG12      VAL  53   4.043 -22.629  18.771
  411   HG13  VAL  53          HG13      VAL  53   4.884 -21.090  18.973
  412   HG21  VAL  53          HG21      VAL  53   7.461 -23.542  17.580
  413   HG22  VAL  53          HG22      VAL  53   6.693 -21.993  17.238
  414   HG23  VAL  53          HG23      VAL  53   5.752 -23.484  17.138
  415    H    THR  54           HN       THR  54   9.249 -21.744  18.445
  416    HA   THR  54           HA       THR  54  10.838 -24.092  19.254
  417    HB   THR  54           HB       THR  54  12.256 -23.518  17.258
  418    HG1  THR  54           HG1      THR  54  11.010 -21.184  17.452
  419   HG21  THR  54          HG21      THR  54  10.372 -25.088  16.955
  420   HG22  THR  54          HG22      THR  54  10.600 -24.107  15.506
  421   HG23  THR  54          HG23      THR  54   9.288 -23.733  16.625
  422    H    HIS  55           HN       HIS  55  10.758 -22.089  21.285
  423    HA   HIS  55           HA       HIS  55  12.858 -20.115  20.724
  424    HB2  HIS  55           HB2      HIS  55  10.458 -19.672  21.899
  425    HB3  HIS  55           HB1      HIS  55  11.351 -20.076  23.358
  426    HD1  HIS  55           HD1      HIS  55  13.594 -18.505  23.744
  427    HD2  HIS  55           HD2      HIS  55  10.778 -17.183  20.994
  428    HE1  HIS  55           HE1      HIS  55  14.145 -16.085  23.259
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  -4.050  26.507   0.542
    2    H2   MET   1           HT2      MET   1  -5.677  26.923   0.727
    3    H3   MET   1           HT3      MET   1  -5.138  26.242  -0.719
    4    HA   MET   1           HA       MET   1  -5.095  24.901   1.906
    5    HB2  MET   1           HB2      MET   1  -7.420  25.296   0.997
    6    HB3  MET   1           HB1      MET   1  -6.988  24.377  -0.436
    7    HG2  MET   1           HG2      MET   1  -7.047  23.276   2.391
    8    HG3  MET   1           HG1      MET   1  -8.320  23.062   1.187
    9    HE1  MET   1           HE1      MET   1  -8.225  20.352   1.511
   10    HE2  MET   1           HE2      MET   1  -7.020  20.631   2.767
   11    HE3  MET   1           HE3      MET   1  -6.704  19.459   1.490
   12    H    GLY   2           HN       GLY   2  -3.332  23.716   1.861
   13    HA2  GLY   2           HA2      GLY   2  -2.867  21.608   0.000
   14    HA3  GLY   2           HA1      GLY   2  -1.740  22.949  -0.260
   15    H    SER   3           HN       SER   3  -3.198  21.308   2.524
   16    HA   SER   3           HA       SER   3  -0.742  20.333   3.540
   17    HB2  SER   3           HB2      SER   3  -0.914  21.613   5.757
   18    HB3  SER   3           HB1      SER   3  -0.341  22.545   4.377
   19    HG   SER   3           HG       SER   3  -1.923  23.853   4.733
   20    H    HIS   4           HN       HIS   4  -1.546  18.298   3.919
   21    HA   HIS   4           HA       HIS   4  -3.818  17.961   5.750
   22    HB2  HIS   4           HB2      HIS   4  -4.472  17.377   3.405
   23    HB3  HIS   4           HB1      HIS   4  -3.088  16.309   3.273
   24    HD1  HIS   4           HD1      HIS   4  -6.609  16.402   4.304
   25    HD2  HIS   4           HD2      HIS   4  -3.358  13.885   4.915
   26    HE1  HIS   4           HE1      HIS   4  -7.573  14.227   5.111
   27    HE2  HIS   4           HE2      HIS   4  -5.604  12.691   5.357
   28    H    LYS   5           HN       LYS   5  -3.438  15.914   7.105
   29    HA   LYS   5           HA       LYS   5  -0.568  15.876   7.746
   30    HB2  LYS   5           HB2      LYS   5  -2.183  16.419   9.566
   31    HB3  LYS   5           HB1      LYS   5  -2.937  14.845   9.362
   32    HG2  LYS   5           HG2      LYS   5  -0.745  13.775   9.992
   33    HG3  LYS   5           HG1      LYS   5  -0.104  15.385  10.311
   34    HD2  LYS   5           HD2      LYS   5  -0.730  14.524  12.447
   35    HD3  LYS   5           HD1      LYS   5  -1.996  15.673  12.024
   36    HE2  LYS   5           HE2      LYS   5  -2.215  12.667  11.665
   37    HE3  LYS   5           HE1      LYS   5  -2.826  13.536  13.067
   38    HZ1  LYS   5           HZ1      LYS   5  -4.598  13.113  11.542
   39    HZ2  LYS   5           HZ2      LYS   5  -3.761  13.830  10.264
   40    HZ3  LYS   5           HZ3      LYS   5  -4.288  14.774  11.555
   41    H    CYS   6           HN       CYS   6   0.564  14.241   6.702
   42    HA   CYS   6           HA       CYS   6  -0.465  11.562   6.364
   43    HB2  CYS   6           HB2      CYS   6   1.410  12.270   4.949
   44    HB3  CYS   6           HB1      CYS   6   2.392  12.634   6.355
   45    H    ASN   7           HN       ASN   7  -1.258  10.891   8.341
   46    HA   ASN   7           HA       ASN   7  -0.635  11.401  10.886
   47    HB2  ASN   7           HB2      ASN   7  -2.554  10.049  10.201
   48    HB3  ASN   7           HB1      ASN   7  -1.505   8.696   9.793
   49   HD21  ASN   7          HD21      ASN   7  -2.499   7.273  11.218
   50   HD22  ASN   7          HD22      ASN   7  -2.362   7.418  12.936
   51    H    VAL   8           HN       VAL   8   1.020   8.791   9.080
   52    HA   VAL   8           HA       VAL   8   2.527   7.606  11.110
   53    HB   VAL   8           HB       VAL   8   3.355   7.992   8.189
   54   HG11  VAL   8          HG11      VAL   8   4.730   5.945   8.483
   55   HG12  VAL   8          HG12      VAL   8   4.313   5.911  10.198
   56   HG13  VAL   8          HG13      VAL   8   5.267   7.246   9.550
   57   HG21  VAL   8          HG21      VAL   8   1.154   6.956   8.354
   58   HG22  VAL   8          HG22      VAL   8   1.777   5.732   9.464
   59   HG23  VAL   8          HG23      VAL   8   2.338   5.775   7.788
   60    H    CYS   9           HN       CYS   9   3.266  10.365   9.070
   61    HA   CYS   9           HA       CYS   9   5.932  10.814  10.204
   62    HB2  CYS   9           HB2      CYS   9   4.356  12.191   8.006
   63    HB3  CYS   9           HB1      CYS   9   5.979  12.647   8.490
   64    H    SER  10           HN       SER  10   2.714  12.108  10.358
   65    HA   SER  10           HA       SER  10   1.603  13.732  11.408
   66    HB2  SER  10           HB2      SER  10   2.928  13.134  13.454
   67    HB3  SER  10           HB1      SER  10   4.142  14.323  12.988
   68    HG   SER  10           HG       SER  10   2.429  15.908  13.102
   69    H    ARG  11           HN       ARG  11   3.666  14.162   9.076
   70    HA   ARG  11           HA       ARG  11   3.911  17.118   9.180
   71    HB2  ARG  11           HB2      ARG  11   5.445  15.200   7.377
   72    HB3  ARG  11           HB1      ARG  11   5.782  16.906   7.643
   73    HG2  ARG  11           HG2      ARG  11   6.141  14.656   9.656
   74    HG3  ARG  11           HG1      ARG  11   7.426  15.510   8.796
   75    HD2  ARG  11           HD2      ARG  11   6.893  17.576   9.987
   76    HD3  ARG  11           HD1      ARG  11   5.500  16.809  10.759
   77    HE   ARG  11           HE       ARG  11   7.754  15.282  11.384
   78   HH11  ARG  11          HH11      ARG  11   6.514  18.493  12.130
   79   HH12  ARG  11          HH12      ARG  11   7.332  18.567  13.657
   80   HH21  ARG  11          HH21      ARG  11   8.799  15.417  13.367
   81   HH22  ARG  11          HH22      ARG  11   8.611  16.823  14.370
   82    H    THR  12           HN       THR  12   4.178  17.831   6.601
   83    HA   THR  12           HA       THR  12   2.035  16.662   4.992
   84    HB   THR  12           HB       THR  12   0.853  18.331   6.404
   85    HG1  THR  12           HG1      THR  12   0.986  19.357   3.766
   86   HG21  THR  12          HG21      THR  12   1.249  20.752   6.100
   87   HG22  THR  12          HG22      THR  12   2.628  20.406   5.055
   88   HG23  THR  12          HG23      THR  12   2.681  19.972   6.764
   89    H    PHE  13           HN       PHE  13   1.969  17.407   2.828
   90    HA   PHE  13           HA       PHE  13   4.386  18.708   1.746
   91    HB2  PHE  13           HB2      PHE  13   3.383  16.462   0.804
   92    HB3  PHE  13           HB1      PHE  13   2.102  17.453   0.129
   93    HD1  PHE  13           HD1      PHE  13   2.649  19.133  -1.670
   94    HD2  PHE  13           HD2      PHE  13   5.609  16.444  -0.178
   95    HE1  PHE  13           HE1      PHE  13   4.059  19.605  -3.615
   96    HE2  PHE  13           HE2      PHE  13   7.013  16.914  -2.137
   97    HZ   PHE  13           HZ       PHE  13   6.244  18.496  -3.860
   98    H    PHE  14           HN       PHE  14   4.136  20.645   0.449
   99    HA   PHE  14           HA       PHE  14   2.115  22.472   1.078
  100    HB2  PHE  14           HB2      PHE  14   4.141  22.472  -1.186
  101    HB3  PHE  14           HB1      PHE  14   3.132  23.858  -0.783
  102    HD1  PHE  14           HD2      PHE  14   5.987  21.784   0.333
  103    HD2  PHE  14           HD1      PHE  14   3.571  25.197   1.234
  104    HE1  PHE  14           HE2      PHE  14   7.649  22.532   1.982
  105    HE2  PHE  14           HE1      PHE  14   5.240  25.932   2.890
  106    HZ   PHE  14           HZ       PHE  14   7.277  24.601   3.270
  107    H    SER  15           HN       SER  15   1.641  19.873  -0.925
  108    HA   SER  15           HA       SER  15  -0.793  21.089  -2.064
  109    HB2  SER  15           HB2      SER  15   0.729  20.770  -3.936
  110    HB3  SER  15           HB1      SER  15   1.119  19.137  -3.406
  111    HG   SER  15           HG       SER  15  -1.456  20.006  -4.246
  112    H    GLU  16           HN       GLU  16  -2.609  19.808  -1.905
  113    HA   GLU  16           HA       GLU  16  -2.731  17.645  -0.082
  114    HB2  GLU  16           HB2      GLU  16  -5.048  17.414  -0.655
  115    HB3  GLU  16           HB1      GLU  16  -4.695  19.134  -0.626
  116    HG2  GLU  16           HG2      GLU  16  -4.886  17.473  -3.177
  117    HG3  GLU  16           HG1      GLU  16  -6.230  18.365  -2.478
  118    H    ASN  17           HN       ASN  17  -2.573  17.767  -3.634
  119    HA   ASN  17           HA       ASN  17  -2.813  14.951  -4.101
  120    HB2  ASN  17           HB2      ASN  17  -1.835  17.252  -5.838
  121    HB3  ASN  17           HB1      ASN  17  -1.838  15.592  -6.414
  122   HD21  ASN  17          HD21      ASN  17  -3.813  18.356  -5.674
  123   HD22  ASN  17          HD22      ASN  17  -5.278  17.719  -6.330
  124    H    GLY  18           HN       GLY  18  -0.234  17.137  -3.331
  125    HA2  GLY  18           HA2      GLY  18   2.006  15.466  -4.063
  126    HA3  GLY  18           HA1      GLY  18   2.055  16.925  -3.086
  127    H    LEU  19           HN       LEU  19   0.277  16.199  -1.044
  128    HA   LEU  19           HA       LEU  19   1.756  14.591   0.715
  129    HB2  LEU  19           HB2      LEU  19   0.122  16.392   1.304
  130    HB3  LEU  19           HB1      LEU  19  -1.179  15.361   0.817
  131    HG   LEU  19           HG       LEU  19  -0.831  15.601   3.336
  132   HD11  LEU  19          HD11      LEU  19  -0.705  12.725   2.392
  133   HD12  LEU  19          HD12      LEU  19  -2.160  13.713   2.492
  134   HD13  LEU  19          HD13      LEU  19  -1.279  13.300   3.960
  135   HD21  LEU  19          HD21      LEU  19   1.620  13.881   2.871
  136   HD22  LEU  19          HD22      LEU  19   0.944  14.343   4.434
  137   HD23  LEU  19          HD23      LEU  19   1.612  15.576   3.373
  138    H    ARG  20           HN       ARG  20  -1.248  13.913  -1.059
  139    HA   ARG  20           HA       ARG  20  -1.623  11.215  -0.546
  140    HB2  ARG  20           HB2      ARG  20  -2.068  12.745  -3.142
  141    HB3  ARG  20           HB1      ARG  20  -2.655  11.109  -2.879
  142    HG2  ARG  20           HG2      ARG  20  -3.478  13.370  -1.034
  143    HG3  ARG  20           HG1      ARG  20  -4.300  13.096  -2.568
  144    HD2  ARG  20           HD2      ARG  20  -5.538  12.035  -0.773
  145    HD3  ARG  20           HD1      ARG  20  -4.885  10.799  -1.847
  146    HE   ARG  20           HE       ARG  20  -3.608  11.491   0.736
  147   HH11  ARG  20          HH11      ARG  20  -4.884   9.051  -1.433
  148   HH12  ARG  20          HH12      ARG  20  -4.483   7.737  -0.376
  149   HH21  ARG  20          HH21      ARG  20  -3.126   9.780   2.106
  150   HH22  ARG  20          HH22      ARG  20  -3.486   8.151   1.638
  151    H    GLU  21           HN       GLU  21   0.384  12.651  -3.112
  152    HA   GLU  21           HA       GLU  21   1.385  10.245  -4.195
  153    HB2  GLU  21           HB2      GLU  21   1.333  12.408  -5.435
  154    HB3  GLU  21           HB1      GLU  21   2.585  13.037  -4.368
  155    HG2  GLU  21           HG2      GLU  21   4.151  11.304  -5.174
  156    HG3  GLU  21           HG1      GLU  21   2.904  10.656  -6.232
  157    H    HIS  22           HN       HIS  22   2.451  12.257  -1.526
  158    HA   HIS  22           HA       HIS  22   4.954  10.942  -1.075
  159    HB2  HIS  22           HB2      HIS  22   4.828  13.083  -0.080
  160    HB3  HIS  22           HB1      HIS  22   3.215  12.812   0.560
  161    HD1  HIS  22           HD1      HIS  22   6.839  11.893   1.298
  162    HD2  HIS  22           HD2      HIS  22   3.087  11.781   3.074
  163    HE1  HIS  22           HE1      HIS  22   7.198  11.131   3.687
  164    H    LEU  23           HN       LEU  23   1.640  10.503   0.191
  165    HA   LEU  23           HA       LEU  23   2.350   8.850   2.348
  166    HB2  LEU  23           HB2      LEU  23   0.354  10.356   2.108
  167    HB3  LEU  23           HB1      LEU  23  -0.376   9.159   1.058
  168    HG   LEU  23           HG       LEU  23   0.464   8.305   3.840
  169   HD11  LEU  23          HD11      LEU  23  -2.081   9.853   3.278
  170   HD12  LEU  23          HD12      LEU  23  -0.715  10.412   4.246
  171   HD13  LEU  23          HD13      LEU  23  -1.675   9.038   4.794
  172   HD21  LEU  23          HD21      LEU  23  -1.907   7.534   2.101
  173   HD22  LEU  23          HD22      LEU  23  -1.485   6.815   3.657
  174   HD23  LEU  23          HD23      LEU  23  -0.415   6.610   2.274
  175    H    GLN  24           HN       GLN  24   1.586   8.099  -0.981
  176    HA   GLN  24           HA       GLN  24   1.027   5.364  -0.752
  177    HB2  GLN  24           HB2      GLN  24   1.439   5.193  -3.131
  178    HB3  GLN  24           HB1      GLN  24   0.517   6.651  -2.780
  179    HG2  GLN  24           HG2      GLN  24   2.526   7.992  -2.959
  180    HG3  GLN  24           HG1      GLN  24   3.496   6.552  -3.239
  181   HE21  GLN  24          HE21      GLN  24   3.171   8.885  -4.943
  182   HE22  GLN  24          HE22      GLN  24   2.574   8.308  -6.456
  183    H    THR  25           HN       THR  25   3.992   6.948  -0.212
  184    HA   THR  25           HA       THR  25   5.850   4.894  -0.955
  185    HB   THR  25           HB       THR  25   7.469   6.095   0.492
  186    HG1  THR  25           HG1      THR  25   6.097   8.254   1.184
  187   HG21  THR  25          HG21      THR  25   7.478   8.283  -0.656
  188   HG22  THR  25          HG22      THR  25   5.827   7.999  -1.207
  189   HG23  THR  25          HG23      THR  25   7.140   6.972  -1.784
  190    H    HIS  26           HN       HIS  26   3.704   5.400   1.697
  191    HA   HIS  26           HA       HIS  26   4.997   3.404   3.449
  192    HB2  HIS  26           HB2      HIS  26   2.455   5.001   3.994
  193    HB3  HIS  26           HB1      HIS  26   3.378   4.053   5.157
  194    HD1  HIS  26           HD1      HIS  26   5.675   5.140   5.984
  195    HD2  HIS  26           HD2      HIS  26   3.280   7.576   3.621
  196    HE1  HIS  26           HE1      HIS  26   6.488   7.504   6.348
  197    H    ARG  27           HN       ARG  27   2.267   3.946   1.350
  198    HA   ARG  27           HA       ARG  27   0.693   1.681   2.012
  199    HB2  ARG  27           HB2      ARG  27  -0.168   3.645   0.741
  200    HB3  ARG  27           HB1      ARG  27   0.809   3.177  -0.646
  201    HG2  ARG  27           HG2      ARG  27  -0.490   1.073  -0.835
  202    HG3  ARG  27           HG1      ARG  27  -1.475   1.562   0.547
  203    HD2  ARG  27           HD2      ARG  27  -2.651   2.007  -1.559
  204    HD3  ARG  27           HD1      ARG  27  -2.276   3.523  -0.731
  205    HE   ARG  27           HE       ARG  27  -0.166   3.204  -2.407
  206   HH11  ARG  27          HH11      ARG  27  -3.635   3.196  -2.997
  207   HH12  ARG  27          HH12      ARG  27  -3.466   3.781  -4.621
  208   HH21  ARG  27          HH21      ARG  27   0.024   3.976  -4.508
  209   HH22  ARG  27          HH22      ARG  27  -1.395   4.224  -5.478
  210    H    GLY  28           HN       GLY  28   3.294   2.169  -0.356
  211    HA2  GLY  28           HA2      GLY  28   3.454  -0.456  -1.391
  212    HA3  GLY  28           HA1      GLY  28   4.791   0.683  -1.280
  213    HA   PRO  29           HA       PRO  29   4.718  -2.824   2.085
  214    HB2  PRO  29           HB2      PRO  29   6.254  -4.820   0.973
  215    HB3  PRO  29           HB1      PRO  29   4.501  -4.719   0.768
  216    HG2  PRO  29           HG2      PRO  29   6.687  -3.840  -1.112
  217    HG3  PRO  29           HG1      PRO  29   5.186  -4.726  -1.472
  218    HD2  PRO  29           HD2      PRO  29   5.441  -2.040  -1.898
  219    HD3  PRO  29           HD1      PRO  29   3.891  -2.785  -1.446
  220    H    ALA  30           HN       ALA  30   6.070  -2.055   3.593
  221    HA   ALA  30           HA       ALA  30   8.833  -1.299   3.097
  222    HB1  ALA  30           HB1      ALA  30   7.262  -1.389   5.697
  223    HB2  ALA  30           HB2      ALA  30   7.459   0.020   4.660
  224    HB3  ALA  30           HB3      ALA  30   8.861  -0.670   5.478
  225    H    LYS  31           HN       LYS  31  10.213  -2.936   2.803
  226    HA   LYS  31           HA       LYS  31  10.261  -5.267   4.554
  227    HB2  LYS  31           HB2      LYS  31   9.789  -5.497   1.550
  228    HB3  LYS  31           HB1      LYS  31  10.349  -6.843   2.543
  229    HG2  LYS  31           HG2      LYS  31   8.272  -6.690   3.894
  230    HG3  LYS  31           HG1      LYS  31   7.701  -5.378   2.860
  231    HD2  LYS  31           HD2      LYS  31   7.684  -6.913   0.925
  232    HD3  LYS  31           HD1      LYS  31   8.281  -8.225   1.949
  233    HE2  LYS  31           HE2      LYS  31   6.216  -8.081   3.316
  234    HE3  LYS  31           HE1      LYS  31   5.623  -6.779   2.282
  235    HZ1  LYS  31           HZ1      LYS  31   6.192  -9.560   1.420
  236    HZ2  LYS  31           HZ2      LYS  31   5.629  -8.319   0.423
  237    HZ3  LYS  31           HZ3      LYS  31   4.659  -8.896   1.681
  238    H    HIS  32           HN       HIS  32  12.232  -6.432   4.394
  239    HA   HIS  32           HA       HIS  32  14.540  -5.600   3.035
  240    HB2  HIS  32           HB2      HIS  32  15.669  -4.193   4.725
  241    HB3  HIS  32           HB1      HIS  32  14.160  -3.425   4.245
  242    HD1  HIS  32           HD1      HIS  32  16.021  -4.492   7.187
  243    HD2  HIS  32           HD2      HIS  32  12.022  -3.842   6.269
  244    HE1  HIS  32           HE1      HIS  32  14.845  -4.309   9.389
  245    HE2  HIS  32           HE2      HIS  32  12.464  -3.738   8.800
  246    H    TYR  33           HN       TYR  33  16.573  -6.163   4.484
  247    HA   TYR  33           HA       TYR  33  16.032  -8.267   6.457
  248    HB2  TYR  33           HB2      TYR  33  18.054  -9.548   5.399
  249    HB3  TYR  33           HB1      TYR  33  16.483  -9.689   4.630
  250    HD1  TYR  33           HD2      TYR  33  16.063  -8.683   2.407
  251    HD2  TYR  33           HD1      TYR  33  19.912  -8.328   4.241
  252    HE1  TYR  33           HE2      TYR  33  17.024  -7.980   0.261
  253    HE2  TYR  33           HE1      TYR  33  20.869  -7.622   2.091
  254    HH   TYR  33           HH       TYR  33  20.305  -7.899  -0.348
  255    H    MET  34           HN       MET  34  16.775  -7.303   8.209
  256    HA   MET  34           HA       MET  34  19.576  -6.389   8.291
  257    HB2  MET  34           HB2      MET  34  18.123  -4.369   8.459
  258    HB3  MET  34           HB1      MET  34  17.267  -5.094   9.814
  259    HG2  MET  34           HG2      MET  34  19.336  -5.062  11.154
  260    HG3  MET  34           HG1      MET  34  20.214  -4.371   9.788
  261    HE1  MET  34           HE1      MET  34  20.167  -3.083  12.768
  262    HE2  MET  34           HE2      MET  34  20.002  -1.377  12.356
  263    HE3  MET  34           HE3      MET  34  21.089  -2.404  11.426
  264    H    CYS  35           HN       CYS  35  20.717  -7.719   9.603
  265    HA   CYS  35           HA       CYS  35  19.412  -9.356  11.626
  266    HB2  CYS  35           HB2      CYS  35  21.280 -10.224  10.262
  267    HB3  CYS  35           HB1      CYS  35  22.334  -8.964  10.881
  268    HA   PRO  36           HA       PRO  36  18.795  -5.924  14.447
  269    HB2  PRO  36           HB2      PRO  36  19.834  -8.011  16.396
  270    HB3  PRO  36           HB1      PRO  36  18.509  -6.850  16.610
  271    HG2  PRO  36           HG2      PRO  36  18.058  -9.410  15.862
  272    HG3  PRO  36           HG1      PRO  36  17.046  -8.075  15.273
  273    HD2  PRO  36           HD2      PRO  36  18.954  -9.745  13.776
  274    HD3  PRO  36           HD1      PRO  36  17.739  -8.617  13.149
  275    H    ILE  37           HN       ILE  37  21.779  -7.711  15.367
  276    HA   ILE  37           HA       ILE  37  22.950  -5.298  16.488
  277    HB   ILE  37           HB       ILE  37  24.062  -8.140  16.382
  278   HG12  ILE  37          HG12      ILE  37  22.517  -6.893  18.708
  279   HG13  ILE  37          HG11      ILE  37  21.777  -7.964  17.524
  280   HG21  ILE  37          HG21      ILE  37  25.437  -7.439  18.329
  281   HG22  ILE  37          HG22      ILE  37  24.807  -5.798  18.169
  282   HG23  ILE  37          HG23      ILE  37  25.780  -6.503  16.878
  283   HD11  ILE  37          HD11      ILE  37  24.014  -8.673  19.415
  284   HD12  ILE  37          HD12      ILE  37  23.298  -9.766  18.227
  285   HD13  ILE  37          HD13      ILE  37  22.323  -9.145  19.560
  286    H    CYS  38           HN       CYS  38  23.788  -7.713  13.939
  287    HA   CYS  38           HA       CYS  38  26.238  -6.226  13.302
  288    HB2  CYS  38           HB2      CYS  38  27.232  -8.217  12.713
  289    HB3  CYS  38           HB1      CYS  38  26.082  -8.813  13.895
  290    H    GLY  39           HN       GLY  39  23.382  -7.642  11.575
  291    HA2  GLY  39           HA2      GLY  39  22.291  -6.843   9.747
  292    HA3  GLY  39           HA1      GLY  39  23.437  -5.528   9.659
  293    H    GLU  40           HN       GLU  40  24.308  -8.947   9.539
  294    HA   GLU  40           HA       GLU  40  25.611  -8.916   7.088
  295    HB2  GLU  40           HB2      GLU  40  24.335 -11.247   8.556
  296    HB3  GLU  40           HB1      GLU  40  25.379 -11.434   7.152
  297    HG2  GLU  40           HG2      GLU  40  26.173 -10.191   9.784
  298    HG3  GLU  40           HG1      GLU  40  26.597 -11.799   9.243
  299    H    ARG  41           HN       ARG  41  24.955  -8.832   5.027
  300    HA   ARG  41           HA       ARG  41  22.219  -8.715   4.254
  301    HB2  ARG  41           HB2      ARG  41  23.089  -8.331   1.998
  302    HB3  ARG  41           HB1      ARG  41  24.031  -7.412   3.158
  303    HG2  ARG  41           HG2      ARG  41  25.489  -9.790   2.929
  304    HG3  ARG  41           HG1      ARG  41  24.907  -9.530   1.290
  305    HD2  ARG  41           HD2      ARG  41  26.513  -7.555   2.950
  306    HD3  ARG  41           HD1      ARG  41  27.152  -8.564   1.650
  307    HE   ARG  41           HE       ARG  41  25.037  -6.561   1.114
  308   HH11  ARG  41          HH11      ARG  41  28.235  -7.814   0.435
  309   HH12  ARG  41          HH12      ARG  41  28.546  -6.668  -0.822
  310   HH21  ARG  41          HH21      ARG  41  25.482  -5.063  -0.548
  311   HH22  ARG  41          HH22      ARG  41  27.010  -5.125  -1.374
  312    H    PHE  42           HN       PHE  42  20.896 -10.288   3.446
  313    HA   PHE  42           HA       PHE  42  22.000 -12.803   2.397
  314    HB2  PHE  42           HB2      PHE  42  19.958 -12.557   4.644
  315    HB3  PHE  42           HB1      PHE  42  20.020 -13.995   3.630
  316    HD1  PHE  42           HD2      PHE  42  22.124 -15.376   3.519
  317    HD2  PHE  42           HD1      PHE  42  21.639 -12.252   6.396
  318    HE1  PHE  42           HE2      PHE  42  23.984 -16.300   4.835
  319    HE2  PHE  42           HE1      PHE  42  23.501 -13.173   7.685
  320    HZ   PHE  42           HZ       PHE  42  24.681 -15.196   6.924
  321    HA   PRO  43           HA       PRO  43  19.337 -12.398  -1.076
  322    HB2  PRO  43           HB2      PRO  43  18.278 -14.981  -1.389
  323    HB3  PRO  43           HB1      PRO  43  19.912 -14.493  -1.871
  324    HG2  PRO  43           HG2      PRO  43  19.025 -15.802   0.709
  325    HG3  PRO  43           HG1      PRO  43  20.378 -16.242  -0.360
  326    HD2  PRO  43           HD2      PRO  43  20.873 -14.838   1.831
  327    HD3  PRO  43           HD1      PRO  43  21.672 -14.372   0.310
  328    H    SER  44           HN       SER  44  17.855 -13.542   1.887
  329    HA   SER  44           HA       SER  44  15.278 -12.385   1.257
  330    HB2  SER  44           HB2      SER  44  15.489 -15.405   1.706
  331    HB3  SER  44           HB1      SER  44  13.984 -14.493   1.614
  332    HG   SER  44           HG       SER  44  15.147 -13.853  -0.568
  333    H    LEU  45           HN       LEU  45  13.768 -12.625   3.107
  334    HA   LEU  45           HA       LEU  45  15.160 -12.408   5.680
  335    HB2  LEU  45           HB2      LEU  45  13.457 -10.675   4.906
  336    HB3  LEU  45           HB1      LEU  45  12.212 -11.907   5.046
  337    HG   LEU  45           HG       LEU  45  12.701 -12.065   7.515
  338   HD11  LEU  45          HD11      LEU  45  14.524  -9.685   7.019
  339   HD12  LEU  45          HD12      LEU  45  15.038 -11.299   7.516
  340   HD13  LEU  45          HD13      LEU  45  14.060 -10.316   8.604
  341   HD21  LEU  45          HD21      LEU  45  11.974  -9.275   6.552
  342   HD22  LEU  45          HD22      LEU  45  11.603  -9.955   8.140
  343   HD23  LEU  45          HD23      LEU  45  10.861 -10.637   6.696
  344    H    LEU  46           HN       LEU  46  15.558 -14.803   5.147
  345    HA   LEU  46           HA       LEU  46  13.931 -16.452   6.912
  346    HB2  LEU  46           HB2      LEU  46  13.047 -16.780   4.501
  347    HB3  LEU  46           HB1      LEU  46  14.621 -17.422   4.085
  348    HG   LEU  46           HG       LEU  46  12.725 -18.688   6.117
  349   HD11  LEU  46          HD11      LEU  46  13.217 -19.506   3.236
  350   HD12  LEU  46          HD12      LEU  46  11.742 -18.788   3.883
  351   HD13  LEU  46          HD13      LEU  46  12.237 -20.395   4.410
  352   HD21  LEU  46          HD21      LEU  46  15.259 -19.831   4.884
  353   HD22  LEU  46          HD22      LEU  46  14.133 -20.723   5.912
  354   HD23  LEU  46          HD23      LEU  46  15.034 -19.359   6.570
  355    H    THR  47           HN       THR  47  16.524 -16.609   4.453
  356    HA   THR  47           HA       THR  47  18.409 -18.039   5.891
  357    HB   THR  47           HB       THR  47  19.196 -15.846   3.927
  358    HG1  THR  47           HG1      THR  47  18.017 -18.344   3.181
  359   HG21  THR  47          HG21      THR  47  20.122 -18.731   4.225
  360   HG22  THR  47          HG22      THR  47  20.998 -17.316   4.816
  361   HG23  THR  47          HG23      THR  47  20.763 -17.548   3.080
  362    H    LEU  48           HN       LEU  48  17.778 -14.560   5.794
  363    HA   LEU  48           HA       LEU  48  19.760 -13.618   7.545
  364    HB2  LEU  48           HB2      LEU  48  18.260 -12.244   6.034
  365    HB3  LEU  48           HB1      LEU  48  16.922 -12.549   7.120
  366    HG   LEU  48           HG       LEU  48  18.000 -10.239   7.281
  367   HD11  LEU  48          HD11      LEU  48  17.882 -10.010   9.704
  368   HD12  LEU  48          HD12      LEU  48  17.985 -11.759   9.906
  369   HD13  LEU  48          HD13      LEU  48  16.577 -11.043   9.124
  370   HD21  LEU  48          HD21      LEU  48  20.291 -11.723   8.598
  371   HD22  LEU  48          HD22      LEU  48  20.096  -9.970   8.502
  372   HD23  LEU  48          HD23      LEU  48  20.341 -10.907   7.030
  373    H    THR  49           HN       THR  49  16.523 -14.950   8.160
  374    HA   THR  49           HA       THR  49  16.345 -14.303  10.908
  375    HB   THR  49           HB       THR  49  14.877 -16.496   9.387
  376    HG1  THR  49           HG1      THR  49  13.507 -14.933   8.702
  377   HG21  THR  49          HG21      THR  49  14.546 -16.578  11.853
  378   HG22  THR  49          HG22      THR  49  13.066 -16.127  11.006
  379   HG23  THR  49          HG23      THR  49  14.021 -14.891  11.824
  380    H    GLU  50           HN       GLU  50  17.183 -17.316   9.218
  381    HA   GLU  50           HA       GLU  50  17.778 -18.987  11.376
  382    HB2  GLU  50           HB2      GLU  50  19.063 -18.945   8.604
  383    HB3  GLU  50           HB1      GLU  50  19.128 -20.292   9.735
  384    HG2  GLU  50           HG2      GLU  50  16.580 -19.209   8.499
  385    HG3  GLU  50           HG1      GLU  50  17.487 -20.588   7.886
  386    H    HIS  51           HN       HIS  51  19.826 -16.648   9.628
  387    HA   HIS  51           HA       HIS  51  22.246 -17.226  11.019
  388    HB2  HIS  51           HB2      HIS  51  22.515 -16.167   8.922
  389    HB3  HIS  51           HB1      HIS  51  21.278 -14.958   9.254
  390    HD1  HIS  51           HD1      HIS  51  24.843 -15.798  10.359
  391    HD2  HIS  51           HD2      HIS  51  22.175 -12.634  10.195
  392    HE1  HIS  51           HE1      HIS  51  26.069 -13.781  11.267
  393    H    LYS  52           HN       LYS  52  19.665 -14.821  11.644
  394    HA   LYS  52           HA       LYS  52  21.289 -13.130  13.222
  395    HB2  LYS  52           HB2      LYS  52  19.389 -11.779  13.620
  396    HB3  LYS  52           HB1      LYS  52  19.185 -12.419  11.998
  397    HG2  LYS  52           HG2      LYS  52  17.472 -13.940  12.733
  398    HG3  LYS  52           HG1      LYS  52  17.802 -13.581  14.430
  399    HD2  LYS  52           HD2      LYS  52  17.161 -11.138  13.851
  400    HD3  LYS  52           HD1      LYS  52  16.495 -11.793  12.353
  401    HE2  LYS  52           HE2      LYS  52  15.673 -12.607  15.157
  402    HE3  LYS  52           HE1      LYS  52  14.773 -11.503  14.114
  403    HZ1  LYS  52           HZ1      LYS  52  14.453 -13.295  12.547
  404    HZ2  LYS  52           HZ2      LYS  52  13.862 -13.724  14.067
  405    HZ3  LYS  52           HZ3      LYS  52  15.335 -14.356  13.529
  406    H    VAL  53           HN       VAL  53  19.275 -15.858  14.075
  407    HA   VAL  53           HA       VAL  53  18.964 -15.263  16.849
  408    HB   VAL  53           HB       VAL  53  18.035 -17.550  17.013
  409   HG11  VAL  53          HG11      VAL  53  16.550 -15.750  16.235
  410   HG12  VAL  53          HG12      VAL  53  16.132 -17.273  15.455
  411   HG13  VAL  53          HG13      VAL  53  17.035 -16.045  14.563
  412   HG21  VAL  53          HG21      VAL  53  17.877 -19.024  15.018
  413   HG22  VAL  53          HG22      VAL  53  19.553 -18.753  15.481
  414   HG23  VAL  53          HG23      VAL  53  18.879 -17.891  14.098
  415    H    THR  54           HN       THR  54  21.332 -16.998  14.972
  416    HA   THR  54           HA       THR  54  22.559 -18.447  17.105
  417    HB   THR  54           HB       THR  54  24.292 -19.083  15.483
  418    HG1  THR  54           HG1      THR  54  23.592 -16.761  14.301
  419   HG21  THR  54          HG21      THR  54  22.126 -20.277  15.367
  420   HG22  THR  54          HG22      THR  54  22.870 -20.149  13.773
  421   HG23  THR  54          HG23      THR  54  21.524 -19.090  14.206
  422    H    HIS  55           HN       HIS  55  22.587 -15.231  17.074
  423    HA   HIS  55           HA       HIS  55  25.405 -14.706  17.545
  424    HB2  HIS  55           HB2      HIS  55  22.863 -13.062  17.684
  425    HB3  HIS  55           HB1      HIS  55  24.319 -12.464  18.469
  426    HD1  HIS  55           HD1      HIS  55  26.129 -11.498  16.998
  427    HD2  HIS  55           HD2      HIS  55  23.070 -13.250  14.816
  428    HE1  HIS  55           HE1      HIS  55  26.523 -10.856  14.603
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  -9.919  23.284   4.488
    2    H2   MET   1           HT2      MET   1 -10.678  22.127   3.528
    3    H3   MET   1           HT3      MET   1  -9.867  23.411   2.801
    4    HA   MET   1           HA       MET   1  -8.576  21.423   2.628
    5    HB2  MET   1           HB2      MET   1  -7.391  23.356   4.673
    6    HB3  MET   1           HB1      MET   1  -6.483  22.274   3.624
    7    HG2  MET   1           HG2      MET   1  -8.245  24.505   2.579
    8    HG3  MET   1           HG1      MET   1  -6.520  24.688   2.897
    9    HE1  MET   1           HE1      MET   1  -5.173  22.076   1.962
   10    HE2  MET   1           HE2      MET   1  -4.623  23.673   1.448
   11    HE3  MET   1           HE3      MET   1  -4.874  22.397   0.254
   12    H    GLY   2           HN       GLY   2  -7.840  22.191   6.034
   13    HA2  GLY   2           HA2      GLY   2  -9.004  20.999   7.881
   14    HA3  GLY   2           HA1      GLY   2  -8.840  19.531   6.913
   15    H    SER   3           HN       SER   3  -7.139  18.313   7.444
   16    HA   SER   3           HA       SER   3  -4.504  19.577   7.722
   17    HB2  SER   3           HB2      SER   3  -5.522  17.448   9.670
   18    HB3  SER   3           HB1      SER   3  -3.867  18.065   9.598
   19    HG   SER   3           HG       SER   3  -5.429  20.172   9.799
   20    H    HIS   4           HN       HIS   4  -4.074  18.883   5.695
   21    HA   HIS   4           HA       HIS   4  -3.902  16.031   5.077
   22    HB2  HIS   4           HB2      HIS   4  -2.908  18.432   3.477
   23    HB3  HIS   4           HB1      HIS   4  -2.923  16.764   2.910
   24    HD1  HIS   4           HD1      HIS   4  -5.173  15.788   2.164
   25    HD2  HIS   4           HD2      HIS   4  -5.455  19.686   3.571
   26    HE1  HIS   4           HE1      HIS   4  -7.471  16.566   1.527
   27    HE2  HIS   4           HE2      HIS   4  -7.519  18.993   2.180
   28    H    LYS   5           HN       LYS   5  -2.694  15.757   7.056
   29    HA   LYS   5           HA       LYS   5   0.217  16.254   6.858
   30    HB2  LYS   5           HB2      LYS   5  -0.804  17.192   8.897
   31    HB3  LYS   5           HB1      LYS   5  -1.582  15.657   9.258
   32    HG2  LYS   5           HG2      LYS   5   0.664  14.631   9.607
   33    HG3  LYS   5           HG1      LYS   5   1.407  16.203   9.310
   34    HD2  LYS   5           HD2      LYS   5  -0.534  15.574  11.573
   35    HD3  LYS   5           HD1      LYS   5   1.221  15.670  11.738
   36    HE2  LYS   5           HE2      LYS   5   1.159  18.045  11.108
   37    HE3  LYS   5           HE1      LYS   5  -0.591  17.961  10.895
   38    HZ1  LYS   5           HZ1      LYS   5  -0.024  18.903  13.029
   39    HZ2  LYS   5           HZ2      LYS   5   0.874  17.536  13.442
   40    HZ3  LYS   5           HZ3      LYS   5  -0.797  17.421  13.252
   41    H    CYS   6           HN       CYS   6   1.535  14.457   6.568
   42    HA   CYS   6           HA       CYS   6   0.406  11.818   6.351
   43    HB2  CYS   6           HB2      CYS   6   2.336  12.443   4.934
   44    HB3  CYS   6           HB1      CYS   6   3.312  12.745   6.370
   45    H    ASN   7           HN       ASN   7  -0.465  11.325   8.362
   46    HA   ASN   7           HA       ASN   7   0.421  11.780  10.909
   47    HB2  ASN   7           HB2      ASN   7  -1.053   9.294   9.942
   48    HB3  ASN   7           HB1      ASN   7  -0.938   9.799  11.624
   49   HD21  ASN   7          HD21      ASN   7  -3.139  10.032  11.893
   50   HD22  ASN   7          HD22      ASN   7  -4.062  11.279  11.129
   51    H    VAL   8           HN       VAL   8   1.479   9.129   8.819
   52    HA   VAL   8           HA       VAL   8   2.826   7.496  10.681
   53    HB   VAL   8           HB       VAL   8   3.638   7.884   7.758
   54   HG11  VAL   8          HG11      VAL   8   4.017   5.494   9.612
   55   HG12  VAL   8          HG12      VAL   8   5.280   6.584   9.036
   56   HG13  VAL   8          HG13      VAL   8   4.438   5.536   7.896
   57   HG21  VAL   8          HG21      VAL   8   2.078   6.042   7.195
   58   HG22  VAL   8          HG22      VAL   8   1.233   7.437   7.866
   59   HG23  VAL   8          HG23      VAL   8   1.505   6.012   8.868
   60    H    CYS   9           HN       CYS   9   4.033  10.137   8.674
   61    HA   CYS   9           HA       CYS   9   6.684  10.212   9.878
   62    HB2  CYS   9           HB2      CYS   9   5.293  12.014   7.874
   63    HB3  CYS   9           HB1      CYS   9   6.935  12.261   8.434
   64    H    SER  10           HN       SER  10   3.668  11.714  10.317
   65    HA   SER  10           HA       SER  10   2.686  13.293  11.506
   66    HB2  SER  10           HB2      SER  10   3.540  14.094  13.616
   67    HB3  SER  10           HB1      SER  10   4.009  12.401  13.471
   68    HG   SER  10           HG       SER  10   6.058  12.963  13.278
   69    H    ARG  11           HN       ARG  11   4.689  13.833   9.214
   70    HA   ARG  11           HA       ARG  11   5.208  16.716   9.515
   71    HB2  ARG  11           HB2      ARG  11   6.068  14.772   7.323
   72    HB3  ARG  11           HB1      ARG  11   6.610  16.442   7.489
   73    HG2  ARG  11           HG2      ARG  11   7.150  14.214   9.488
   74    HG3  ARG  11           HG1      ARG  11   8.297  14.810   8.285
   75    HD2  ARG  11           HD2      ARG  11   8.381  16.981   9.362
   76    HD3  ARG  11           HD1      ARG  11   7.088  16.528  10.479
   77    HE   ARG  11           HE       ARG  11   8.959  14.647  10.973
   78   HH11  ARG  11          HH11      ARG  11   9.221  18.151  10.855
   79   HH12  ARG  11          HH12      ARG  11  10.454  18.202  12.070
   80   HH21  ARG  11          HH21      ARG  11  10.570  14.745  12.547
   81   HH22  ARG  11          HH22      ARG  11  11.237  16.280  13.011
   82    H    THR  12           HN       THR  12   4.878  18.068   7.466
   83    HA   THR  12           HA       THR  12   2.022  17.822   6.773
   84    HB   THR  12           HB       THR  12   2.824  19.925   7.917
   85    HG1  THR  12           HG1      THR  12   1.876  20.562   5.312
   86   HG21  THR  12          HG21      THR  12   4.208  20.507   5.265
   87   HG22  THR  12          HG22      THR  12   5.028  20.183   6.794
   88   HG23  THR  12          HG23      THR  12   4.039  21.631   6.616
   89    H    PHE  13           HN       PHE  13   1.259  18.220   4.681
   90    HA   PHE  13           HA       PHE  13   2.793  17.608   2.362
   91    HB2  PHE  13           HB2      PHE  13   0.769  18.070   1.105
   92    HB3  PHE  13           HB1      PHE  13   0.305  17.218   2.565
   93    HD1  PHE  13           HD2      PHE  13   0.325  19.654   4.505
   94    HD2  PHE  13           HD1      PHE  13  -1.261  19.174   0.575
   95    HE1  PHE  13           HE2      PHE  13  -1.315  21.434   4.938
   96    HE2  PHE  13           HE1      PHE  13  -2.886  20.954   1.014
   97    HZ   PHE  13           HZ       PHE  13  -2.920  22.086   3.192
   98    H    PHE  14           HN       PHE  14   2.303  19.167   0.374
   99    HA   PHE  14           HA       PHE  14   2.890  22.002   0.941
  100    HB2  PHE  14           HB2      PHE  14   4.940  20.973   0.019
  101    HB3  PHE  14           HB1      PHE  14   4.027  20.236  -1.291
  102    HD1  PHE  14           HD1      PHE  14   5.026  23.555   0.124
  103    HD2  PHE  14           HD2      PHE  14   3.757  21.407  -3.351
  104    HE1  PHE  14           HE1      PHE  14   5.460  25.537  -1.266
  105    HE2  PHE  14           HE2      PHE  14   4.203  23.395  -4.733
  106    HZ   PHE  14           HZ       PHE  14   5.054  25.462  -3.694
  107    H    SER  15           HN       SER  15   1.972  19.774  -1.715
  108    HA   SER  15           HA       SER  15  -0.590  21.216  -2.120
  109    HB2  SER  15           HB2      SER  15  -0.646  20.043  -4.322
  110    HB3  SER  15           HB1      SER  15   0.797  21.041  -4.152
  111    HG   SER  15           HG       SER  15   1.410  19.061  -4.968
  112    H    GLU  16           HN       GLU  16  -2.527  19.858  -2.350
  113    HA   GLU  16           HA       GLU  16  -2.715  17.847  -0.332
  114    HB2  GLU  16           HB2      GLU  16  -4.681  18.634  -2.517
  115    HB3  GLU  16           HB1      GLU  16  -5.069  17.563  -1.170
  116    HG2  GLU  16           HG2      GLU  16  -4.661  19.386   0.416
  117    HG3  GLU  16           HG1      GLU  16  -4.217  20.463  -0.908
  118    H    ASN  17           HN       ASN  17  -2.303  17.766  -3.824
  119    HA   ASN  17           HA       ASN  17  -2.764  14.944  -4.191
  120    HB2  ASN  17           HB2      ASN  17  -1.314  16.960  -5.970
  121    HB3  ASN  17           HB1      ASN  17  -1.772  15.329  -6.454
  122   HD21  ASN  17          HD21      ASN  17  -3.136  15.898  -8.112
  123   HD22  ASN  17          HD22      ASN  17  -4.612  16.773  -7.885
  124    H    GLY  18           HN       GLY  18  -0.086  17.053  -3.458
  125    HA2  GLY  18           HA2      GLY  18   2.110  15.317  -3.809
  126    HA3  GLY  18           HA1      GLY  18   2.054  16.712  -2.743
  127    H    LEU  19           HN       LEU  19   0.076  15.987  -0.932
  128    HA   LEU  19           HA       LEU  19   1.270  14.218   0.859
  129    HB2  LEU  19           HB2      LEU  19  -0.621  15.971   1.205
  130    HB3  LEU  19           HB1      LEU  19  -1.728  14.700   0.779
  131    HG   LEU  19           HG       LEU  19  -1.431  15.121   3.274
  132   HD11  LEU  19          HD11      LEU  19  -1.453  12.782   3.976
  133   HD12  LEU  19          HD12      LEU  19  -0.838  12.282   2.399
  134   HD13  LEU  19          HD13      LEU  19  -2.433  13.026   2.528
  135   HD21  LEU  19          HD21      LEU  19   0.537  14.217   4.421
  136   HD22  LEU  19          HD22      LEU  19   0.982  15.518   3.322
  137   HD23  LEU  19          HD23      LEU  19   1.291  13.839   2.870
  138    H    ARG  20           HN       ARG  20  -1.316  13.619  -1.534
  139    HA   ARG  20           HA       ARG  20  -1.880  10.924  -0.937
  140    HB2  ARG  20           HB2      ARG  20  -2.060  12.348  -3.620
  141    HB3  ARG  20           HB1      ARG  20  -2.812  10.797  -3.253
  142    HG2  ARG  20           HG2      ARG  20  -3.470  13.443  -1.919
  143    HG3  ARG  20           HG1      ARG  20  -4.418  12.658  -3.177
  144    HD2  ARG  20           HD2      ARG  20  -3.913  11.613  -0.367
  145    HD3  ARG  20           HD1      ARG  20  -5.435  12.252  -0.998
  146    HE   ARG  20           HE       ARG  20  -4.370   9.926  -2.395
  147   HH11  ARG  20          HH11      ARG  20  -6.599  11.047   0.073
  148   HH12  ARG  20          HH12      ARG  20  -7.444   9.536   0.152
  149   HH21  ARG  20          HH21      ARG  20  -5.480   7.944  -2.262
  150   HH22  ARG  20          HH22      ARG  20  -6.821   7.784  -1.168
  151    H    GLU  21           HN       GLU  21   0.385  12.284  -3.338
  152    HA   GLU  21           HA       GLU  21   1.380   9.924  -4.437
  153    HB2  GLU  21           HB2      GLU  21   1.714  12.170  -5.429
  154    HB3  GLU  21           HB1      GLU  21   2.746  12.628  -4.080
  155    HG2  GLU  21           HG2      GLU  21   4.404  10.930  -4.784
  156    HG3  GLU  21           HG1      GLU  21   3.367  10.489  -6.141
  157    H    HIS  22           HN       HIS  22   2.471  11.838  -1.685
  158    HA   HIS  22           HA       HIS  22   4.699  10.268  -0.893
  159    HB2  HIS  22           HB2      HIS  22   4.469  12.616  -0.267
  160    HB3  HIS  22           HB1      HIS  22   2.965  12.300   0.582
  161    HD1  HIS  22           HD1      HIS  22   4.975  13.796   2.164
  162    HD2  HIS  22           HD2      HIS  22   4.985   9.657   2.045
  163    HE1  HIS  22           HE1      HIS  22   5.924  13.007   4.361
  164    H    LEU  23           HN       LEU  23   1.247  10.157  -0.123
  165    HA   LEU  23           HA       LEU  23   1.255   8.730   2.270
  166    HB2  LEU  23           HB2      LEU  23  -0.653  10.011   1.128
  167    HB3  LEU  23           HB1      LEU  23  -0.930   8.560   0.185
  168    HG   LEU  23           HG       LEU  23  -1.298   7.308   2.337
  169   HD11  LEU  23          HD11      LEU  23  -0.076   8.736   3.886
  170   HD12  LEU  23          HD12      LEU  23  -1.751   8.588   4.407
  171   HD13  LEU  23          HD13      LEU  23  -1.207  10.065   3.607
  172   HD21  LEU  23          HD21      LEU  23  -3.581   8.176   2.732
  173   HD22  LEU  23          HD22      LEU  23  -3.225   8.102   1.010
  174   HD23  LEU  23          HD23      LEU  23  -3.181   9.654   1.849
  175    H    GLN  24           HN       GLN  24   1.396   7.613  -1.051
  176    HA   GLN  24           HA       GLN  24   0.771   4.876  -0.590
  177    HB2  GLN  24           HB2      GLN  24   2.064   6.220  -2.976
  178    HB3  GLN  24           HB1      GLN  24   1.428   4.577  -2.944
  179    HG2  GLN  24           HG2      GLN  24  -0.240   7.068  -2.470
  180    HG3  GLN  24           HG1      GLN  24  -0.086   6.242  -4.000
  181   HE21  GLN  24          HE21      GLN  24  -2.340   5.862  -4.111
  182   HE22  GLN  24          HE22      GLN  24  -3.131   4.702  -3.106
  183    H    THR  25           HN       THR  25   3.685   6.668  -0.172
  184    HA   THR  25           HA       THR  25   5.558   4.533  -0.625
  185    HB   THR  25           HB       THR  25   6.018   7.136  -0.629
  186    HG1  THR  25           HG1      THR  25   7.606   5.654  -1.188
  187   HG21  THR  25          HG21      THR  25   7.163   7.913   1.392
  188   HG22  THR  25          HG22      THR  25   6.770   6.403   2.214
  189   HG23  THR  25          HG23      THR  25   5.484   7.517   1.753
  190    H    HIS  26           HN       HIS  26   3.342   5.059   1.845
  191    HA   HIS  26           HA       HIS  26   4.899   3.498   3.825
  192    HB2  HIS  26           HB2      HIS  26   2.364   5.152   4.202
  193    HB3  HIS  26           HB1      HIS  26   3.168   4.232   5.478
  194    HD1  HIS  26           HD1      HIS  26   5.773   5.014   5.913
  195    HD2  HIS  26           HD2      HIS  26   3.294   7.663   3.902
  196    HE1  HIS  26           HE1      HIS  26   6.915   7.259   6.006
  197    H    ARG  27           HN       ARG  27   2.191   3.295   1.640
  198    HA   ARG  27           HA       ARG  27   1.031   0.894   2.484
  199    HB2  ARG  27           HB2      ARG  27   0.224   2.626   0.797
  200    HB3  ARG  27           HB1      ARG  27   1.377   1.960  -0.345
  201    HG2  ARG  27           HG2      ARG  27   0.136  -0.231  -0.197
  202    HG3  ARG  27           HG1      ARG  27  -1.063   0.583   0.813
  203    HD2  ARG  27           HD2      ARG  27  -1.393   2.234  -1.066
  204    HD3  ARG  27           HD1      ARG  27  -0.349   1.219  -2.063
  205    HE   ARG  27           HE       ARG  27  -2.109  -0.593  -1.470
  206   HH11  ARG  27          HH11      ARG  27  -2.799   2.795  -2.050
  207   HH12  ARG  27          HH12      ARG  27  -4.389   2.489  -2.663
  208   HH21  ARG  27          HH21      ARG  27  -4.224  -0.969  -2.303
  209   HH22  ARG  27          HH22      ARG  27  -5.191   0.383  -2.802
  210    H    GLY  28           HN       GLY  28   3.870   0.528   2.748
  211    HA2  GLY  28           HA2      GLY  28   4.456  -1.986   2.072
  212    HA3  GLY  28           HA1      GLY  28   4.896  -1.120   0.600
  213    HA   PRO  29           HA       PRO  29   8.404  -0.789   3.811
  214    HB2  PRO  29           HB2      PRO  29  10.083  -2.756   3.002
  215    HB3  PRO  29           HB1      PRO  29   8.717  -3.094   4.077
  216    HG2  PRO  29           HG2      PRO  29   8.921  -3.483   1.095
  217    HG3  PRO  29           HG1      PRO  29   8.294  -4.603   2.324
  218    HD2  PRO  29           HD2      PRO  29   6.678  -3.002   0.791
  219    HD3  PRO  29           HD1      PRO  29   6.238  -3.530   2.430
  220    H    ALA  30           HN       ALA  30  10.533   0.044   3.352
  221    HA   ALA  30           HA       ALA  30  10.900   1.345   0.811
  222    HB1  ALA  30           HB1      ALA  30  12.795   1.136   3.182
  223    HB2  ALA  30           HB2      ALA  30  11.644   2.441   2.885
  224    HB3  ALA  30           HB3      ALA  30  13.005   2.199   1.788
  225    H    LYS  31           HN       LYS  31  10.943  -0.369  -0.654
  226    HA   LYS  31           HA       LYS  31  13.500  -1.840  -0.869
  227    HB2  LYS  31           HB2      LYS  31  10.719  -3.053  -1.170
  228    HB3  LYS  31           HB1      LYS  31  12.165  -3.821  -1.818
  229    HG2  LYS  31           HG2      LYS  31  11.664  -3.205   1.117
  230    HG3  LYS  31           HG1      LYS  31  11.487  -4.789   0.353
  231    HD2  LYS  31           HD2      LYS  31  13.898  -4.818  -0.175
  232    HD3  LYS  31           HD1      LYS  31  14.087  -3.209   0.526
  233    HE2  LYS  31           HE2      LYS  31  14.859  -4.965   2.066
  234    HE3  LYS  31           HE1      LYS  31  13.484  -4.089   2.740
  235    HZ1  LYS  31           HZ1      LYS  31  12.049  -5.907   2.072
  236    HZ2  LYS  31           HZ2      LYS  31  13.291  -6.467   3.071
  237    HZ3  LYS  31           HZ3      LYS  31  13.366  -6.737   1.407
  238    H    HIS  32           HN       HIS  32  11.292   0.229  -2.236
  239    HA   HIS  32           HA       HIS  32  12.220  -0.310  -5.000
  240    HB2  HIS  32           HB2      HIS  32  10.171   0.865  -5.777
  241    HB3  HIS  32           HB1      HIS  32   9.779  -0.554  -4.824
  242    HD1  HIS  32           HD1      HIS  32   8.968   2.929  -5.188
  243    HD2  HIS  32           HD2      HIS  32   8.992   0.233  -2.028
  244    HE1  HIS  32           HE1      HIS  32   7.502   3.936  -3.427
  245    HE2  HIS  32           HE2      HIS  32   7.671   2.376  -1.470
  246    H    TYR  33           HN       TYR  33  14.168   0.754  -4.463
  247    HA   TYR  33           HA       TYR  33  14.238   3.287  -3.127
  248    HB2  TYR  33           HB2      TYR  33  16.397   1.536  -4.359
  249    HB3  TYR  33           HB1      TYR  33  16.757   3.092  -3.605
  250    HD1  TYR  33           HD1      TYR  33  15.600  -0.371  -2.950
  251    HD2  TYR  33           HD2      TYR  33  16.577   3.392  -1.189
  252    HE1  TYR  33           HE1      TYR  33  15.597  -1.409  -0.724
  253    HE2  TYR  33           HE2      TYR  33  16.592   2.347   1.029
  254    HH   TYR  33           HH       TYR  33  15.706   0.427   2.164
  255    H    MET  34           HN       MET  34  13.779   5.108  -4.030
  256    HA   MET  34           HA       MET  34  14.326   5.630  -6.885
  257    HB2  MET  34           HB2      MET  34  11.935   5.739  -6.173
  258    HB3  MET  34           HB1      MET  34  12.350   6.960  -4.980
  259    HG2  MET  34           HG2      MET  34  12.972   8.522  -6.757
  260    HG3  MET  34           HG1      MET  34  12.650   7.287  -7.977
  261    HE1  MET  34           HE1      MET  34   9.338   9.166  -5.332
  262    HE2  MET  34           HE2      MET  34  11.034   9.644  -5.242
  263    HE3  MET  34           HE3      MET  34  10.538   8.039  -4.699
  264    H    CYS  35           HN       CYS  35  15.705   7.255  -7.373
  265    HA   CYS  35           HA       CYS  35  17.618   8.158  -5.546
  266    HB2  CYS  35           HB2      CYS  35  18.122   7.974  -7.908
  267    HB3  CYS  35           HB1      CYS  35  16.897   9.114  -8.326
  268    HA   PRO  36           HA       PRO  36  15.222  11.644  -3.757
  269    HB2  PRO  36           HB2      PRO  36  17.824  12.169  -2.344
  270    HB3  PRO  36           HB1      PRO  36  16.203  11.949  -1.666
  271    HG2  PRO  36           HG2      PRO  36  18.030  10.021  -1.433
  272    HG3  PRO  36           HG1      PRO  36  16.332   9.615  -1.761
  273    HD2  PRO  36           HD2      PRO  36  18.656   9.734  -3.694
  274    HD3  PRO  36           HD1      PRO  36  17.394   8.488  -3.523
  275    H    ILE  37           HN       ILE  37  18.339  11.747  -5.363
  276    HA   ILE  37           HA       ILE  37  18.618  14.593  -5.386
  277    HB   ILE  37           HB       ILE  37  20.108  12.489  -7.015
  278   HG12  ILE  37          HG12      ILE  37  20.890  13.652  -4.286
  279   HG13  ILE  37          HG11      ILE  37  20.214  12.043  -4.523
  280   HG21  ILE  37          HG21      ILE  37  20.420  14.769  -7.864
  281   HG22  ILE  37          HG22      ILE  37  21.911  14.169  -7.145
  282   HG23  ILE  37          HG23      ILE  37  20.906  15.322  -6.265
  283   HD11  ILE  37          HD11      ILE  37  22.857  13.020  -5.623
  284   HD12  ILE  37          HD12      ILE  37  22.184  11.399  -5.811
  285   HD13  ILE  37          HD13      ILE  37  22.631  11.986  -4.210
  286    H    CYS  38           HN       CYS  38  18.082  12.228  -8.133
  287    HA   CYS  38           HA       CYS  38  16.588  14.365  -9.491
  288    HB2  CYS  38           HB2      CYS  38  17.514  13.702 -11.602
  289    HB3  CYS  38           HB1      CYS  38  18.804  14.089 -10.498
  290    H    GLY  39           HN       GLY  39  16.741  10.648  -9.432
  291    HA2  GLY  39           HA2      GLY  39  14.775   9.874  -8.221
  292    HA3  GLY  39           HA1      GLY  39  13.805  10.891  -9.271
  293    H    GLU  40           HN       GLU  40  16.415   8.629 -10.088
  294    HA   GLU  40           HA       GLU  40  14.866   6.958 -11.762
  295    HB2  GLU  40           HB2      GLU  40  17.604   6.563 -10.473
  296    HB3  GLU  40           HB1      GLU  40  16.933   5.479 -11.679
  297    HG2  GLU  40           HG2      GLU  40  18.595   6.986 -12.633
  298    HG3  GLU  40           HG1      GLU  40  17.013   7.232 -13.358
  299    H    ARG  41           HN       ARG  41  13.522   5.362 -11.151
  300    HA   ARG  41           HA       ARG  41  13.481   4.289  -8.438
  301    HB2  ARG  41           HB2      ARG  41  11.422   4.828  -9.874
  302    HB3  ARG  41           HB1      ARG  41  11.822   3.437 -10.859
  303    HG2  ARG  41           HG2      ARG  41  11.153   3.297  -7.895
  304    HG3  ARG  41           HG1      ARG  41   9.979   3.074  -9.187
  305    HD2  ARG  41           HD2      ARG  41  11.529   1.160  -9.996
  306    HD3  ARG  41           HD1      ARG  41  12.286   1.280  -8.405
  307    HE   ARG  41           HE       ARG  41   9.410   0.993  -8.340
  308   HH11  ARG  41          HH11      ARG  41  12.467  -0.729  -8.288
  309   HH12  ARG  41          HH12      ARG  41  11.751  -2.207  -7.732
  310   HH21  ARG  41          HH21      ARG  41   8.486  -0.936  -7.653
  311   HH22  ARG  41          HH22      ARG  41   9.482  -2.332  -7.366
  312    H    PHE  42           HN       PHE  42  14.626   2.552  -7.874
  313    HA   PHE  42           HA       PHE  42  15.774   0.726  -9.904
  314    HB2  PHE  42           HB2      PHE  42  16.982   1.836  -7.338
  315    HB3  PHE  42           HB1      PHE  42  17.625   0.392  -8.113
  316    HD1  PHE  42           HD2      PHE  42  18.208   0.606 -10.667
  317    HD2  PHE  42           HD1      PHE  42  17.846   3.937  -8.023
  318    HE1  PHE  42           HE2      PHE  42  19.583   1.962 -12.189
  319    HE2  PHE  42           HE1      PHE  42  19.216   5.287  -9.549
  320    HZ   PHE  42           HZ       PHE  42  20.094   4.305 -11.626
  321    HA   PRO  43           HA       PRO  43  13.741  -2.653  -7.906
  322    HB2  PRO  43           HB2      PRO  43  15.439  -4.757  -8.328
  323    HB3  PRO  43           HB1      PRO  43  14.572  -3.969  -9.654
  324    HG2  PRO  43           HG2      PRO  43  17.413  -3.521  -8.727
  325    HG3  PRO  43           HG1      PRO  43  16.806  -3.783 -10.379
  326    HD2  PRO  43           HD2      PRO  43  17.331  -1.301  -9.440
  327    HD3  PRO  43           HD1      PRO  43  15.990  -1.607 -10.567
  328    H    SER  44           HN       SER  44  16.907  -1.687  -6.707
  329    HA   SER  44           HA       SER  44  16.410  -2.740  -4.066
  330    HB2  SER  44           HB2      SER  44  18.508  -4.158  -4.056
  331    HB3  SER  44           HB1      SER  44  17.242  -4.782  -5.105
  332    HG   SER  44           HG       SER  44  19.274  -4.804  -6.141
  333    H    LEU  45           HN       LEU  45  18.208  -2.294  -2.606
  334    HA   LEU  45           HA       LEU  45  19.654   0.192  -3.183
  335    HB2  LEU  45           HB2      LEU  45  18.439  -0.345  -0.957
  336    HB3  LEU  45           HB1      LEU  45  19.800  -1.382  -0.588
  337    HG   LEU  45           HG       LEU  45  19.808   0.976   0.426
  338   HD11  LEU  45          HD11      LEU  45  21.841  -0.377   0.435
  339   HD12  LEU  45          HD12      LEU  45  22.221   1.325   0.194
  340   HD13  LEU  45          HD13      LEU  45  22.262   0.214  -1.176
  341   HD21  LEU  45          HD21      LEU  45  19.035   2.222  -1.531
  342   HD22  LEU  45          HD22      LEU  45  20.528   1.831  -2.388
  343   HD23  LEU  45          HD23      LEU  45  20.575   2.848  -0.946
  344    H    LEU  46           HN       LEU  46  20.720  -0.974  -4.897
  345    HA   LEU  46           HA       LEU  46  23.393  -1.822  -4.149
  346    HB2  LEU  46           HB2      LEU  46  21.535  -3.615  -5.788
  347    HB3  LEU  46           HB1      LEU  46  23.282  -3.745  -5.883
  348    HG   LEU  46           HG       LEU  46  21.632  -4.255  -3.373
  349   HD11  LEU  46          HD11      LEU  46  22.995  -6.248  -5.214
  350   HD12  LEU  46          HD12      LEU  46  21.256  -6.000  -5.047
  351   HD13  LEU  46          HD13      LEU  46  22.185  -6.626  -3.689
  352   HD21  LEU  46          HD21      LEU  46  23.873  -3.422  -2.811
  353   HD22  LEU  46          HD22      LEU  46  24.612  -4.641  -3.851
  354   HD23  LEU  46          HD23      LEU  46  23.729  -5.131  -2.405
  355    H    THR  47           HN       THR  47  21.071  -1.667  -6.825
  356    HA   THR  47           HA       THR  47  22.835  -0.498  -8.731
  357    HB   THR  47           HB       THR  47  20.610  -0.104  -9.987
  358    HG1  THR  47           HG1      THR  47  19.186  -1.838  -8.509
  359   HG21  THR  47          HG21      THR  47  20.293  -2.504 -10.477
  360   HG22  THR  47          HG22      THR  47  21.216  -2.930  -9.035
  361   HG23  THR  47          HG23      THR  47  22.015  -2.114 -10.381
  362    H    LEU  48           HN       LEU  48  20.326   0.851  -6.559
  363    HA   LEU  48           HA       LEU  48  20.500   3.549  -7.295
  364    HB2  LEU  48           HB2      LEU  48  18.780   2.518  -5.760
  365    HB3  LEU  48           HB1      LEU  48  19.980   2.462  -4.492
  366    HG   LEU  48           HG       LEU  48  18.237   4.340  -4.352
  367   HD11  LEU  48          HD11      LEU  48  20.247   4.436  -2.976
  368   HD12  LEU  48          HD12      LEU  48  19.768   6.048  -3.503
  369   HD13  LEU  48          HD13      LEU  48  21.131   5.235  -4.280
  370   HD21  LEU  48          HD21      LEU  48  19.857   5.593  -6.593
  371   HD22  LEU  48          HD22      LEU  48  18.563   6.375  -5.681
  372   HD23  LEU  48          HD23      LEU  48  18.198   5.001  -6.719
  373    H    THR  49           HN       THR  49  22.492   1.647  -5.070
  374    HA   THR  49           HA       THR  49  24.181   3.659  -4.083
  375    HB   THR  49           HB       THR  49  24.898   0.735  -4.543
  376    HG1  THR  49           HG1      THR  49  23.818   0.299  -2.739
  377   HG21  THR  49          HG21      THR  49  26.443   1.036  -2.641
  378   HG22  THR  49          HG22      THR  49  26.004   2.742  -2.535
  379   HG23  THR  49          HG23      THR  49  26.857   2.137  -3.960
  380    H    GLU  50           HN       GLU  50  24.456   1.632  -6.956
  381    HA   GLU  50           HA       GLU  50  27.015   2.482  -7.866
  382    HB2  GLU  50           HB2      GLU  50  24.678   1.390  -9.489
  383    HB3  GLU  50           HB1      GLU  50  26.332   1.550 -10.083
  384    HG2  GLU  50           HG2      GLU  50  27.094  -0.057  -8.364
  385    HG3  GLU  50           HG1      GLU  50  25.439  -0.219  -7.784
  386    H    HIS  51           HN       HIS  51  23.762   3.728  -8.401
  387    HA   HIS  51           HA       HIS  51  24.390   5.602 -10.447
  388    HB2  HIS  51           HB2      HIS  51  22.146   4.731 -10.258
  389    HB3  HIS  51           HB1      HIS  51  22.003   5.279  -8.590
  390    HD1  HIS  51           HD1      HIS  51  22.507   6.914 -12.038
  391    HD2  HIS  51           HD2      HIS  51  20.618   7.549  -8.394
  392    HE1  HIS  51           HE1      HIS  51  21.267   9.115 -12.245
  393    H    LYS  52           HN       LYS  52  23.820   6.006  -6.944
  394    HA   LYS  52           HA       LYS  52  23.907   8.816  -6.870
  395    HB2  LYS  52           HB2      LYS  52  24.065   8.591  -4.413
  396    HB3  LYS  52           HB1      LYS  52  22.861   7.498  -5.088
  397    HG2  LYS  52           HG2      LYS  52  24.535   5.650  -4.962
  398    HG3  LYS  52           HG1      LYS  52  25.646   6.749  -4.149
  399    HD2  LYS  52           HD2      LYS  52  22.896   5.976  -3.105
  400    HD3  LYS  52           HD1      LYS  52  24.408   5.218  -2.610
  401    HE2  LYS  52           HE2      LYS  52  25.180   7.477  -1.786
  402    HE3  LYS  52           HE1      LYS  52  23.563   8.096  -2.134
  403    HZ1  LYS  52           HZ1      LYS  52  23.845   7.431   0.185
  404    HZ2  LYS  52           HZ2      LYS  52  24.164   5.844  -0.304
  405    HZ3  LYS  52           HZ3      LYS  52  22.646   6.527  -0.585
  406    H    VAL  53           HN       VAL  53  26.520   6.423  -6.584
  407    HA   VAL  53           HA       VAL  53  28.492   8.275  -5.644
  408    HB   VAL  53           HB       VAL  53  30.118   6.471  -5.970
  409   HG11  VAL  53          HG11      VAL  53  29.159   4.782  -4.428
  410   HG12  VAL  53          HG12      VAL  53  27.550   5.456  -4.698
  411   HG13  VAL  53          HG13      VAL  53  28.791   6.429  -3.912
  412   HG21  VAL  53          HG21      VAL  53  29.331   5.492  -8.081
  413   HG22  VAL  53          HG22      VAL  53  27.877   4.890  -7.288
  414   HG23  VAL  53          HG23      VAL  53  29.456   4.232  -6.850
  415    H    THR  54           HN       THR  54  27.428   7.193  -8.809
  416    HA   THR  54           HA       THR  54  29.638   8.601 -10.169
  417    HB   THR  54           HB       THR  54  28.660   7.569 -12.257
  418    HG1  THR  54           HG1      THR  54  27.189   5.683 -10.926
  419   HG21  THR  54          HG21      THR  54  29.354   5.604 -10.043
  420   HG22  THR  54          HG22      THR  54  30.516   6.449 -11.070
  421   HG23  THR  54          HG23      THR  54  29.409   5.269 -11.774
  422    H    HIS  55           HN       HIS  55  26.959   9.684  -8.817
  423    HA   HIS  55           HA       HIS  55  25.563  11.142 -10.745
  424    HB2  HIS  55           HB2      HIS  55  25.490  10.905  -7.922
  425    HB3  HIS  55           HB1      HIS  55  25.785  12.615  -8.183
  426    HD1  HIS  55           HD1      HIS  55  23.981  13.639 -10.124
  427    HD2  HIS  55           HD2      HIS  55  22.909  10.289  -7.928
  428    HE1  HIS  55           HE1      HIS  55  21.474  13.448 -10.307
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  -6.364  26.751  -0.442
    2    H2   MET   1           HT2      MET   1  -6.403  25.246  -1.213
    3    H3   MET   1           HT3      MET   1  -5.065  26.259  -1.406
    4    HA   MET   1           HA       MET   1  -4.494  26.054   0.891
    5    HB2  MET   1           HB2      MET   1  -6.943  24.228   0.995
    6    HB3  MET   1           HB1      MET   1  -5.742  24.318   2.278
    7    HG2  MET   1           HG2      MET   1  -6.296  26.716   2.598
    8    HG3  MET   1           HG1      MET   1  -7.545  26.570   1.356
    9    HE1  MET   1           HE1      MET   1  -9.358  27.539   3.143
   10    HE2  MET   1           HE2      MET   1  -8.074  27.660   4.347
   11    HE3  MET   1           HE3      MET   1  -9.581  26.843   4.747
   12    H    GLY   2           HN       GLY   2  -3.948  23.600   1.913
   13    HA2  GLY   2           HA2      GLY   2  -3.593  21.349   0.426
   14    HA3  GLY   2           HA1      GLY   2  -2.256  22.385  -0.088
   15    H    SER   3           HN       SER   3  -3.824  21.010   2.764
   16    HA   SER   3           HA       SER   3  -1.348  20.362   4.028
   17    HB2  SER   3           HB2      SER   3  -1.551  22.766   4.712
   18    HB3  SER   3           HB1      SER   3  -3.141  22.435   5.395
   19    HG   SER   3           HG       SER   3  -1.672  20.690   6.561
   20    H    HIS   4           HN       HIS   4  -1.998  18.215   4.287
   21    HA   HIS   4           HA       HIS   4  -4.176  17.669   6.150
   22    HB2  HIS   4           HB2      HIS   4  -5.076  17.222   3.857
   23    HB3  HIS   4           HB1      HIS   4  -3.662  16.235   3.483
   24    HD1  HIS   4           HD1      HIS   4  -3.493  13.908   4.737
   25    HD2  HIS   4           HD2      HIS   4  -7.110  15.895   5.208
   26    HE1  HIS   4           HE1      HIS   4  -5.094  12.186   5.599
   27    HE2  HIS   4           HE2      HIS   4  -7.308  13.372   5.739
   28    H    LYS   5           HN       LYS   5  -3.646  15.503   7.280
   29    HA   LYS   5           HA       LYS   5  -0.735  15.508   7.649
   30    HB2  LYS   5           HB2      LYS   5  -3.065  14.740   9.403
   31    HB3  LYS   5           HB1      LYS   5  -1.507  13.983   9.703
   32    HG2  LYS   5           HG2      LYS   5  -0.455  16.157   9.997
   33    HG3  LYS   5           HG1      LYS   5  -1.986  16.973   9.645
   34    HD2  LYS   5           HD2      LYS   5  -2.986  15.940  11.677
   35    HD3  LYS   5           HD1      LYS   5  -1.451  15.133  12.019
   36    HE2  LYS   5           HE2      LYS   5  -0.354  17.317  12.305
   37    HE3  LYS   5           HE1      LYS   5  -1.865  18.142  11.918
   38    HZ1  LYS   5           HZ1      LYS   5  -1.426  16.350  14.244
   39    HZ2  LYS   5           HZ2      LYS   5  -2.861  17.168  13.884
   40    HZ3  LYS   5           HZ3      LYS   5  -1.474  18.040  14.298
   41    H    CYS   6           HN       CYS   6   0.515  13.931   7.058
   42    HA   CYS   6           HA       CYS   6  -0.455  11.302   6.222
   43    HB2  CYS   6           HB2      CYS   6   1.410  12.250   4.937
   44    HB3  CYS   6           HB1      CYS   6   2.338  12.513   6.405
   45    H    ASN   7           HN       ASN   7  -1.060  10.067   7.946
   46    HA   ASN   7           HA       ASN   7  -0.715  10.577  10.602
   47    HB2  ASN   7           HB2      ASN   7  -2.395   9.018   9.675
   48    HB3  ASN   7           HB1      ASN   7  -1.137   7.825   9.356
   49   HD21  ASN   7          HD21      ASN   7  -1.435   9.848  12.293
   50   HD22  ASN   7          HD22      ASN   7  -1.733   8.539  13.378
   51    H    VAL   8           HN       VAL   8   1.294   8.394   8.689
   52    HA   VAL   8           HA       VAL   8   2.907   7.258  10.668
   53    HB   VAL   8           HB       VAL   8   3.767   7.933   7.813
   54   HG11  VAL   8          HG11      VAL   8   5.238   5.939   8.011
   55   HG12  VAL   8          HG12      VAL   8   4.751   5.753   9.698
   56   HG13  VAL   8          HG13      VAL   8   5.638   7.188   9.192
   57   HG21  VAL   8          HG21      VAL   8   2.260   5.463   8.764
   58   HG22  VAL   8          HG22      VAL   8   2.873   5.744   7.131
   59   HG23  VAL   8          HG23      VAL   8   1.604   6.776   7.784
   60    H    CYS   9           HN       CYS   9   3.319  10.224   8.810
   61    HA   CYS   9           HA       CYS   9   5.992  10.794   9.851
   62    HB2  CYS   9           HB2      CYS   9   4.215  12.165   7.826
   63    HB3  CYS   9           HB1      CYS   9   5.797  12.774   8.292
   64    H    SER  10           HN       SER  10   2.739  11.903  10.280
   65    HA   SER  10           HA       SER  10   1.605  13.474  11.357
   66    HB2  SER  10           HB2      SER  10   2.321  14.345  13.490
   67    HB3  SER  10           HB1      SER  10   2.846  12.670  13.390
   68    HG   SER  10           HG       SER  10   4.927  13.329  13.127
   69    H    ARG  11           HN       ARG  11   3.581  14.120   9.122
   70    HA   ARG  11           HA       ARG  11   3.540  17.080   9.307
   71    HB2  ARG  11           HB2      ARG  11   5.368  15.255   7.672
   72    HB3  ARG  11           HB1      ARG  11   5.384  17.014   7.598
   73    HG2  ARG  11           HG2      ARG  11   6.053  15.351  10.054
   74    HG3  ARG  11           HG1      ARG  11   7.222  16.143   8.990
   75    HD2  ARG  11           HD2      ARG  11   6.311  18.342   9.598
   76    HD3  ARG  11           HD1      ARG  11   5.098  17.576  10.634
   77    HE   ARG  11           HE       ARG  11   7.701  16.749  11.404
   78   HH11  ARG  11          HH11      ARG  11   5.654  19.591  11.573
   79   HH12  ARG  11          HH12      ARG  11   6.369  20.164  13.043
   80   HH21  ARG  11          HH21      ARG  11   8.600  17.500  13.350
   81   HH22  ARG  11          HH22      ARG  11   8.022  18.976  14.056
   82    H    THR  12           HN       THR  12   3.738  17.872   6.777
   83    HA   THR  12           HA       THR  12   1.724  16.598   5.101
   84    HB   THR  12           HB       THR  12   0.317  17.997   6.538
   85    HG1  THR  12           HG1      THR  12   0.538  19.376   4.063
   86   HG21  THR  12          HG21      THR  12   1.988  20.372   5.639
   87   HG22  THR  12          HG22      THR  12   1.955  19.699   7.272
   88   HG23  THR  12          HG23      THR  12   0.511  20.457   6.595
   89    H    PHE  13           HN       PHE  13   1.523  17.635   3.017
   90    HA   PHE  13           HA       PHE  13   3.914  19.103   2.070
   91    HB2  PHE  13           HB2      PHE  13   2.058  17.059   0.811
   92    HB3  PHE  13           HB1      PHE  13   2.802  18.256  -0.246
   93    HD1  PHE  13           HD2      PHE  13   3.727  15.801   2.452
   94    HD2  PHE  13           HD1      PHE  13   4.950  17.807  -1.127
   95    HE1  PHE  13           HE2      PHE  13   5.800  14.476   2.403
   96    HE2  PHE  13           HE1      PHE  13   7.026  16.486  -1.149
   97    HZ   PHE  13           HZ       PHE  13   7.452  14.816   0.612
   98    H    PHE  14           HN       PHE  14   3.670  20.966   0.827
   99    HA   PHE  14           HA       PHE  14   1.692  22.787   1.287
  100    HB2  PHE  14           HB2      PHE  14   3.962  23.287   0.384
  101    HB3  PHE  14           HB1      PHE  14   3.487  22.637  -1.177
  102    HD1  PHE  14           HD1      PHE  14   2.747  25.365   1.265
  103    HD2  PHE  14           HD2      PHE  14   2.413  24.060  -2.793
  104    HE1  PHE  14           HE1      PHE  14   1.958  27.600   0.607
  105    HE2  PHE  14           HE2      PHE  14   1.629  26.302  -3.442
  106    HZ   PHE  14           HZ       PHE  14   1.397  28.073  -1.744
  107    H    SER  15           HN       SER  15   1.643  20.282  -1.141
  108    HA   SER  15           HA       SER  15  -1.041  21.143  -2.049
  109    HB2  SER  15           HB2      SER  15   0.783  19.063  -3.353
  110    HB3  SER  15           HB1      SER  15  -0.697  19.754  -4.022
  111    HG   SER  15           HG       SER  15   1.654  21.215  -3.417
  112    H    GLU  16           HN       GLU  16  -2.742  19.876  -1.482
  113    HA   GLU  16           HA       GLU  16  -2.561  17.753   0.388
  114    HB2  GLU  16           HB2      GLU  16  -4.958  17.449   0.110
  115    HB3  GLU  16           HB1      GLU  16  -4.617  19.172   0.138
  116    HG2  GLU  16           HG2      GLU  16  -5.169  17.550  -2.379
  117    HG3  GLU  16           HG1      GLU  16  -6.367  18.506  -1.513
  118    H    ASN  17           HN       ASN  17  -2.774  17.880  -3.120
  119    HA   ASN  17           HA       ASN  17  -3.055  15.071  -3.612
  120    HB2  ASN  17           HB2      ASN  17  -2.146  17.356  -5.417
  121    HB3  ASN  17           HB1      ASN  17  -2.482  15.721  -5.979
  122   HD21  ASN  17          HD21      ASN  17  -3.778  18.250  -6.721
  123   HD22  ASN  17          HD22      ASN  17  -5.457  18.036  -6.371
  124    H    GLY  18           HN       GLY  18  -0.394  17.245  -3.126
  125    HA2  GLY  18           HA2      GLY  18   1.769  15.571  -4.014
  126    HA3  GLY  18           HA1      GLY  18   1.899  16.980  -2.963
  127    H    LEU  19           HN       LEU  19   0.078  16.128  -0.979
  128    HA   LEU  19           HA       LEU  19   1.674  14.491   0.705
  129    HB2  LEU  19           HB2      LEU  19   0.182  16.364   1.412
  130    HB3  LEU  19           HB1      LEU  19  -1.210  15.405   1.022
  131    HG   LEU  19           HG       LEU  19  -0.596  15.615   3.509
  132   HD11  LEU  19          HD11      LEU  19  -0.885  12.774   2.490
  133   HD12  LEU  19          HD12      LEU  19  -2.202  13.913   2.771
  134   HD13  LEU  19          HD13      LEU  19  -1.233  13.344   4.129
  135   HD21  LEU  19          HD21      LEU  19   1.145  14.178   4.416
  136   HD22  LEU  19          HD22      LEU  19   1.836  15.331   3.276
  137   HD23  LEU  19          HD23      LEU  19   1.598  13.647   2.794
  138    H    ARG  20           HN       ARG  20  -1.427  13.957  -0.937
  139    HA   ARG  20           HA       ARG  20  -1.866  11.274  -0.291
  140    HB2  ARG  20           HB2      ARG  20  -2.696  12.785  -2.785
  141    HB3  ARG  20           HB1      ARG  20  -3.280  11.173  -2.363
  142    HG2  ARG  20           HG2      ARG  20  -4.019  12.269  -0.108
  143    HG3  ARG  20           HG1      ARG  20  -3.826  13.798  -0.966
  144    HD2  ARG  20           HD2      ARG  20  -5.613  11.508  -1.794
  145    HD3  ARG  20           HD1      ARG  20  -6.148  12.995  -1.006
  146    HE   ARG  20           HE       ARG  20  -4.749  13.608  -3.391
  147   HH11  ARG  20          HH11      ARG  20  -7.848  12.364  -2.328
  148   HH12  ARG  20          HH12      ARG  20  -8.663  12.824  -3.785
  149   HH21  ARG  20          HH21      ARG  20  -5.839  14.184  -5.301
  150   HH22  ARG  20          HH22      ARG  20  -7.537  13.855  -5.447
  151    H    GLU  21           HN       GLU  21  -0.127  12.609  -3.092
  152    HA   GLU  21           HA       GLU  21   0.747  10.254  -4.325
  153    HB2  GLU  21           HB2      GLU  21   1.038  12.468  -5.387
  154    HB3  GLU  21           HB1      GLU  21   2.165  12.948  -4.122
  155    HG2  GLU  21           HG2      GLU  21   3.693  11.080  -4.899
  156    HG3  GLU  21           HG1      GLU  21   2.606  10.847  -6.267
  157    H    HIS  22           HN       HIS  22   2.113  12.140  -1.683
  158    HA   HIS  22           HA       HIS  22   4.535  10.745  -1.298
  159    HB2  HIS  22           HB2      HIS  22   4.485  12.931  -0.401
  160    HB3  HIS  22           HB1      HIS  22   2.908  12.704   0.336
  161    HD1  HIS  22           HD1      HIS  22   6.548  11.880   0.914
  162    HD2  HIS  22           HD2      HIS  22   2.911  11.808   2.906
  163    HE1  HIS  22           HE1      HIS  22   7.059  11.272   3.313
  164    H    LEU  23           HN       LEU  23   1.263  10.258   0.036
  165    HA   LEU  23           HA       LEU  23   1.883   8.589   2.198
  166    HB2  LEU  23           HB2      LEU  23  -0.327   9.754   1.656
  167    HB3  LEU  23           HB1      LEU  23  -0.664   8.412   0.574
  168    HG   LEU  23           HG       LEU  23  -0.403   6.851   2.553
  169   HD11  LEU  23          HD11      LEU  23  -0.539   7.783   4.833
  170   HD12  LEU  23          HD12      LEU  23  -0.389   9.415   4.173
  171   HD13  LEU  23          HD13      LEU  23   0.947   8.270   4.012
  172   HD21  LEU  23          HD21      LEU  23  -2.654   7.498   1.759
  173   HD22  LEU  23          HD22      LEU  23  -2.619   8.926   2.796
  174   HD23  LEU  23          HD23      LEU  23  -2.636   7.313   3.513
  175    H    GLN  24           HN       GLN  24   1.737   7.871  -1.168
  176    HA   GLN  24           HA       GLN  24   1.346   5.109  -1.228
  177    HB2  GLN  24           HB2      GLN  24   2.899   6.910  -3.130
  178    HB3  GLN  24           HB1      GLN  24   2.435   5.248  -3.488
  179    HG2  GLN  24           HG2      GLN  24   0.063   5.845  -3.310
  180    HG3  GLN  24           HG1      GLN  24   0.496   7.509  -2.916
  181   HE21  GLN  24          HE21      GLN  24  -1.079   6.382  -5.166
  182   HE22  GLN  24          HE22      GLN  24  -0.325   6.983  -6.600
  183    H    THR  25           HN       THR  25   4.129   6.868  -0.184
  184    HA   THR  25           HA       THR  25   6.167   4.914  -0.759
  185    HB   THR  25           HB       THR  25   7.605   6.291   0.724
  186    HG1  THR  25           HG1      THR  25   5.887   8.325   1.209
  187   HG21  THR  25          HG21      THR  25   5.930   8.033  -1.110
  188   HG22  THR  25          HG22      THR  25   7.317   7.064  -1.608
  189   HG23  THR  25          HG23      THR  25   7.540   8.422  -0.504
  190    H    HIS  26           HN       HIS  26   3.714   5.159   1.618
  191    HA   HIS  26           HA       HIS  26   5.154   3.523   3.629
  192    HB2  HIS  26           HB2      HIS  26   2.556   5.090   3.924
  193    HB3  HIS  26           HB1      HIS  26   3.415   4.256   5.215
  194    HD1  HIS  26           HD1      HIS  26   5.799   5.340   5.869
  195    HD2  HIS  26           HD2      HIS  26   3.308   7.647   3.485
  196    HE1  HIS  26           HE1      HIS  26   6.641   7.706   6.049
  197    H    ARG  27           HN       ARG  27   3.369   2.851   1.012
  198    HA   ARG  27           HA       ARG  27   1.223   1.265   2.069
  199    HB2  ARG  27           HB2      ARG  27   2.408   1.457  -0.719
  200    HB3  ARG  27           HB1      ARG  27   1.077   0.371  -0.332
  201    HG2  ARG  27           HG2      ARG  27  -0.232   2.385   0.466
  202    HG3  ARG  27           HG1      ARG  27   1.063   3.402  -0.169
  203    HD2  ARG  27           HD2      ARG  27  -0.834   3.216  -1.755
  204    HD3  ARG  27           HD1      ARG  27   0.656   2.551  -2.432
  205    HE   ARG  27           HE       ARG  27  -0.473   0.354  -1.394
  206   HH11  ARG  27          HH11      ARG  27  -1.904   2.815  -3.441
  207   HH12  ARG  27          HH12      ARG  27  -3.001   1.704  -4.196
  208   HH21  ARG  27          HH21      ARG  27  -1.895  -1.074  -2.406
  209   HH22  ARG  27          HH22      ARG  27  -2.990  -0.495  -3.622
  210    H    GLY  28           HN       GLY  28   4.591   0.556   1.427
  211    HA2  GLY  28           HA2      GLY  28   4.797  -1.702   2.942
  212    HA3  GLY  28           HA1      GLY  28   4.270  -2.325   1.383
  213    HA   PRO  29           HA       PRO  29   8.948  -2.156   1.361
  214    HB2  PRO  29           HB2      PRO  29   9.394  -4.711   0.519
  215    HB3  PRO  29           HB1      PRO  29   9.064  -4.332   2.215
  216    HG2  PRO  29           HG2      PRO  29   7.171  -5.358   0.103
  217    HG3  PRO  29           HG1      PRO  29   7.383  -5.911   1.779
  218    HD2  PRO  29           HD2      PRO  29   5.375  -4.204   1.044
  219    HD3  PRO  29           HD1      PRO  29   6.122  -4.153   2.655
  220    H    ALA  30           HN       ALA  30  10.359  -2.031  -0.476
  221    HA   ALA  30           HA       ALA  30   9.743  -2.544  -3.139
  222    HB1  ALA  30           HB1      ALA  30   7.875  -0.949  -2.887
  223    HB2  ALA  30           HB2      ALA  30   9.076  -0.336  -4.023
  224    HB3  ALA  30           HB3      ALA  30   9.003   0.307  -2.382
  225    H    LYS  31           HN       LYS  31  12.010  -3.023  -2.202
  226    HA   LYS  31           HA       LYS  31  13.921  -0.872  -2.099
  227    HB2  LYS  31           HB2      LYS  31  14.336  -3.880  -2.162
  228    HB3  LYS  31           HB1      LYS  31  15.636  -2.709  -1.942
  229    HG2  LYS  31           HG2      LYS  31  14.524  -1.898   0.123
  230    HG3  LYS  31           HG1      LYS  31  13.278  -3.130  -0.088
  231    HD2  LYS  31           HD2      LYS  31  15.073  -4.885   0.059
  232    HD3  LYS  31           HD1      LYS  31  16.238  -3.605   0.423
  233    HE2  LYS  31           HE2      LYS  31  15.448  -4.728   2.469
  234    HE3  LYS  31           HE1      LYS  31  14.975  -3.028   2.455
  235    HZ1  LYS  31           HZ1      LYS  31  13.173  -4.438   3.194
  236    HZ2  LYS  31           HZ2      LYS  31  13.231  -5.334   1.762
  237    HZ3  LYS  31           HZ3      LYS  31  12.761  -3.708   1.725
  238    H    HIS  32           HN       HIS  32  12.417  -2.204  -4.729
  239    HA   HIS  32           HA       HIS  32  12.760  -2.272  -6.945
  240    HB2  HIS  32           HB2      HIS  32  13.754  -0.125  -7.906
  241    HB3  HIS  32           HB1      HIS  32  12.392   0.060  -6.819
  242    HD1  HIS  32           HD1      HIS  32  12.928   1.021  -4.415
  243    HD2  HIS  32           HD2      HIS  32  16.082   1.222  -7.102
  244    HE1  HIS  32           HE1      HIS  32  14.565   2.611  -3.403
  245    HE2  HIS  32           HE2      HIS  32  16.404   2.835  -5.112
  246    H    TYR  33           HN       TYR  33  13.999  -4.180  -7.082
  247    HA   TYR  33           HA       TYR  33  16.894  -4.059  -6.845
  248    HB2  TYR  33           HB2      TYR  33  15.273  -6.023  -6.087
  249    HB3  TYR  33           HB1      TYR  33  15.405  -6.540  -7.753
  250    HD1  TYR  33           HD1      TYR  33  17.366  -5.938  -4.629
  251    HD2  TYR  33           HD2      TYR  33  17.471  -7.620  -8.548
  252    HE1  TYR  33           HE1      TYR  33  19.497  -7.059  -4.117
  253    HE2  TYR  33           HE2      TYR  33  19.578  -8.741  -8.023
  254    HH   TYR  33           HH       TYR  33  20.743  -9.076  -4.913
  255    H    MET  34           HN       MET  34  18.360  -4.432  -8.480
  256    HA   MET  34           HA       MET  34  17.476  -3.859 -11.240
  257    HB2  MET  34           HB2      MET  34  19.145  -2.318 -10.194
  258    HB3  MET  34           HB1      MET  34  20.217  -3.672  -9.889
  259    HG2  MET  34           HG2      MET  34  20.539  -3.992 -12.297
  260    HG3  MET  34           HG1      MET  34  19.411  -2.679 -12.629
  261    HE1  MET  34           HE1      MET  34  19.909  -0.109 -11.983
  262    HE2  MET  34           HE2      MET  34  21.407   0.434 -11.227
  263    HE3  MET  34           HE3      MET  34  20.266  -0.545 -10.310
  264    H    CYS  35           HN       CYS  35  17.986  -5.340 -12.888
  265    HA   CYS  35           HA       CYS  35  18.350  -8.065 -12.169
  266    HB2  CYS  35           HB2      CYS  35  17.083  -7.299 -14.171
  267    HB3  CYS  35           HB1      CYS  35  18.579  -6.815 -14.908
  268    HA   PRO  36           HA       PRO  36  22.927  -8.105 -12.046
  269    HB2  PRO  36           HB2      PRO  36  22.450 -11.068 -12.329
  270    HB3  PRO  36           HB1      PRO  36  23.441 -10.197 -11.146
  271    HG2  PRO  36           HG2      PRO  36  21.089 -11.213 -10.415
  272    HG3  PRO  36           HG1      PRO  36  21.584  -9.608  -9.830
  273    HD2  PRO  36           HD2      PRO  36  19.667 -10.310 -12.059
  274    HD3  PRO  36           HD1      PRO  36  19.507  -9.080 -10.781
  275    H    ILE  37           HN       ILE  37  20.952  -9.929 -14.369
  276    HA   ILE  37           HA       ILE  37  23.130 -10.421 -16.185
  277    HB   ILE  37           HB       ILE  37  20.130 -10.932 -16.483
  278   HG12  ILE  37          HG12      ILE  37  22.287 -12.854 -15.453
  279   HG13  ILE  37          HG11      ILE  37  21.120 -12.029 -14.428
  280   HG21  ILE  37          HG21      ILE  37  20.798 -12.662 -18.131
  281   HG22  ILE  37          HG22      ILE  37  22.485 -12.174 -17.963
  282   HG23  ILE  37          HG23      ILE  37  21.305 -11.049 -18.630
  283   HD11  ILE  37          HD11      ILE  37  20.501 -14.338 -14.824
  284   HD12  ILE  37          HD12      ILE  37  20.485 -14.061 -16.562
  285   HD13  ILE  37          HD13      ILE  37  19.303 -13.253 -15.529
  286    H    CYS  38           HN       CYS  38  19.979  -8.619 -16.539
  287    HA   CYS  38           HA       CYS  38  21.239  -6.997 -18.665
  288    HB2  CYS  38           HB2      CYS  38  19.306  -7.227 -20.003
  289    HB3  CYS  38           HB1      CYS  38  19.680  -8.834 -19.432
  290    H    GLY  39           HN       GLY  39  20.254  -6.442 -15.669
  291    HA2  GLY  39           HA2      GLY  39  19.720  -4.618 -14.489
  292    HA3  GLY  39           HA1      GLY  39  20.236  -3.691 -15.884
  293    H    GLU  40           HN       GLU  40  17.425  -5.725 -16.318
  294    HA   GLU  40           HA       GLU  40  15.488  -3.736 -16.493
  295    HB2  GLU  40           HB2      GLU  40  15.126  -6.658 -15.713
  296    HB3  GLU  40           HB1      GLU  40  13.835  -5.582 -16.232
  297    HG2  GLU  40           HG2      GLU  40  16.213  -6.388 -17.909
  298    HG3  GLU  40           HG1      GLU  40  14.608  -7.094 -18.024
  299    H    ARG  41           HN       ARG  41  14.269  -2.647 -15.053
  300    HA   ARG  41           HA       ARG  41  14.843  -2.903 -12.203
  301    HB2  ARG  41           HB2      ARG  41  13.645  -0.737 -11.983
  302    HB3  ARG  41           HB1      ARG  41  14.955  -0.658 -13.154
  303    HG2  ARG  41           HG2      ARG  41  13.339  -0.763 -15.001
  304    HG3  ARG  41           HG1      ARG  41  12.011  -0.910 -13.851
  305    HD2  ARG  41           HD2      ARG  41  13.851   1.489 -14.177
  306    HD3  ARG  41           HD1      ARG  41  12.163   1.386 -14.687
  307    HE   ARG  41           HE       ARG  41  12.546   0.892 -11.873
  308   HH11  ARG  41          HH11      ARG  41  12.054   3.429 -14.238
  309   HH12  ARG  41          HH12      ARG  41  11.510   4.572 -13.055
  310   HH21  ARG  41          HH21      ARG  41  11.867   2.411 -10.345
  311   HH22  ARG  41          HH22      ARG  41  11.405   4.004 -10.863
  312    H    PHE  42           HN       PHE  42  13.561  -3.949 -10.837
  313    HA   PHE  42           HA       PHE  42  10.645  -4.123 -11.307
  314    HB2  PHE  42           HB2      PHE  42  12.531  -6.376 -10.492
  315    HB3  PHE  42           HB1      PHE  42  10.812  -6.440 -10.140
  316    HD1  PHE  42           HD1      PHE  42  13.296  -6.437 -12.906
  317    HD2  PHE  42           HD2      PHE  42   9.170  -6.837 -11.876
  318    HE1  PHE  42           HE1      PHE  42  12.807  -7.270 -15.163
  319    HE2  PHE  42           HE2      PHE  42   8.698  -7.681 -14.136
  320    HZ   PHE  42           HZ       PHE  42  10.511  -7.893 -15.784
  321    HA   PRO  43           HA       PRO  43  10.191  -2.167  -7.438
  322    HB2  PRO  43           HB2      PRO  43   7.962  -3.425  -6.340
  323    HB3  PRO  43           HB1      PRO  43   7.896  -2.226  -7.639
  324    HG2  PRO  43           HG2      PRO  43   7.891  -5.240  -7.840
  325    HG3  PRO  43           HG1      PRO  43   6.838  -4.056  -8.658
  326    HD2  PRO  43           HD2      PRO  43   8.914  -5.133  -9.958
  327    HD3  PRO  43           HD1      PRO  43   8.539  -3.407 -10.155
  328    H    SER  44           HN       SER  44  10.836  -5.624  -7.301
  329    HA   SER  44           HA       SER  44  11.729  -5.409  -4.522
  330    HB2  SER  44           HB2      SER  44  10.296  -7.327  -3.754
  331    HB3  SER  44           HB1      SER  44   9.345  -5.913  -4.197
  332    HG   SER  44           HG       SER  44   8.303  -7.325  -5.364
  333    H    LEU  45           HN       LEU  45  12.538  -7.506  -3.722
  334    HA   LEU  45           HA       LEU  45  14.206  -8.891  -5.706
  335    HB2  LEU  45           HB2      LEU  45  14.714  -7.974  -3.151
  336    HB3  LEU  45           HB1      LEU  45  14.273  -9.623  -2.775
  337    HG   LEU  45           HG       LEU  45  16.577  -8.736  -4.554
  338   HD11  LEU  45          HD11      LEU  45  16.997  -8.311  -2.179
  339   HD12  LEU  45          HD12      LEU  45  18.032  -9.605  -2.772
  340   HD13  LEU  45          HD13      LEU  45  16.617  -9.992  -1.791
  341   HD21  LEU  45          HD21      LEU  45  17.267 -11.089  -4.640
  342   HD22  LEU  45          HD22      LEU  45  15.690 -10.856  -5.386
  343   HD23  LEU  45          HD23      LEU  45  15.800 -11.563  -3.772
  344    H    LEU  46           HN       LEU  46  11.616  -9.406  -6.163
  345    HA   LEU  46           HA       LEU  46  11.164 -12.205  -5.526
  346    HB2  LEU  46           HB2      LEU  46   9.066 -10.038  -4.988
  347    HB3  LEU  46           HB1      LEU  46   8.644 -11.717  -5.232
  348    HG   LEU  46           HG       LEU  46   8.514 -11.427  -2.909
  349   HD11  LEU  46          HD11      LEU  46  10.266 -12.809  -1.922
  350   HD12  LEU  46          HD12      LEU  46  11.270 -12.591  -3.355
  351   HD13  LEU  46          HD13      LEU  46   9.738 -13.458  -3.474
  352   HD21  LEU  46          HD21      LEU  46  11.165  -9.960  -2.879
  353   HD22  LEU  46          HD22      LEU  46  10.158 -10.321  -1.475
  354   HD23  LEU  46          HD23      LEU  46   9.570  -9.227  -2.724
  355    H    THR  47           HN       THR  47   9.748  -9.287  -6.990
  356    HA   THR  47           HA       THR  47   8.887 -10.475  -9.407
  357    HB   THR  47           HB       THR  47   8.790  -8.018 -10.182
  358    HG1  THR  47           HG1      THR  47   9.077  -7.000  -7.678
  359   HG21  THR  47          HG21      THR  47   6.931  -7.435  -8.660
  360   HG22  THR  47          HG22      THR  47   7.447  -8.691  -7.533
  361   HG23  THR  47          HG23      THR  47   6.838  -9.135  -9.130
  362    H    LEU  48           HN       LEU  48  11.954  -8.831  -8.523
  363    HA   LEU  48           HA       LEU  48  13.119  -9.086 -11.100
  364    HB2  LEU  48           HB2      LEU  48  13.905  -7.634  -9.091
  365    HB3  LEU  48           HB1      LEU  48  14.671  -9.087  -8.487
  366    HG   LEU  48           HG       LEU  48  16.190  -7.455  -9.720
  367   HD11  LEU  48          HD11      LEU  48  16.161 -10.260 -10.879
  368   HD12  LEU  48          HD12      LEU  48  16.931  -9.765  -9.370
  369   HD13  LEU  48          HD13      LEU  48  17.515  -9.125 -10.904
  370   HD21  LEU  48          HD21      LEU  48  16.172  -7.405 -12.160
  371   HD22  LEU  48          HD22      LEU  48  14.650  -6.803 -11.511
  372   HD23  LEU  48          HD23      LEU  48  14.738  -8.428 -12.197
  373    H    THR  49           HN       THR  49  12.940 -11.249  -8.322
  374    HA   THR  49           HA       THR  49  14.829 -13.188  -9.107
  375    HB   THR  49           HB       THR  49  12.356 -13.583  -7.360
  376    HG1  THR  49           HG1      THR  49  13.739 -12.986  -5.660
  377   HG21  THR  49          HG21      THR  49  13.655 -15.378  -6.274
  378   HG22  THR  49          HG22      THR  49  14.992 -15.109  -7.392
  379   HG23  THR  49          HG23      THR  49  13.453 -15.723  -7.995
  380    H    GLU  50           HN       GLU  50  11.313 -12.994  -9.576
  381    HA   GLU  50           HA       GLU  50  10.978 -15.477 -10.906
  382    HB2  GLU  50           HB2      GLU  50   8.734 -14.776 -11.455
  383    HB3  GLU  50           HB1      GLU  50   9.093 -14.198  -9.834
  384    HG2  GLU  50           HG2      GLU  50   9.430 -11.941 -10.649
  385    HG3  GLU  50           HG1      GLU  50   9.256 -12.473 -12.314
  386    H    HIS  51           HN       HIS  51  11.616 -12.195 -12.101
  387    HA   HIS  51           HA       HIS  51  11.506 -12.655 -14.882
  388    HB2  HIS  51           HB2      HIS  51  11.486 -10.379 -14.225
  389    HB3  HIS  51           HB1      HIS  51  12.846 -10.571 -13.130
  390    HD1  HIS  51           HD1      HIS  51  12.199 -10.502 -16.897
  391    HD2  HIS  51           HD2      HIS  51  15.222  -9.775 -14.146
  392    HE1  HIS  51           HE1      HIS  51  14.140  -9.574 -18.213
  393    H    LYS  52           HN       LYS  52  14.091 -12.947 -12.532
  394    HA   LYS  52           HA       LYS  52  16.246 -13.209 -14.353
  395    HB2  LYS  52           HB2      LYS  52  16.403 -12.373 -11.990
  396    HB3  LYS  52           HB1      LYS  52  16.144 -14.018 -11.423
  397    HG2  LYS  52           HG2      LYS  52  18.253 -14.700 -12.646
  398    HG3  LYS  52           HG1      LYS  52  18.509 -12.999 -13.042
  399    HD2  LYS  52           HD2      LYS  52  19.858 -13.666 -11.091
  400    HD3  LYS  52           HD1      LYS  52  18.668 -12.436 -10.654
  401    HE2  LYS  52           HE2      LYS  52  17.213 -14.164  -9.679
  402    HE3  LYS  52           HE1      LYS  52  18.350 -15.423 -10.165
  403    HZ1  LYS  52           HZ1      LYS  52  18.646 -14.891  -7.867
  404    HZ2  LYS  52           HZ2      LYS  52  18.839 -13.254  -8.213
  405    HZ3  LYS  52           HZ3      LYS  52  20.002 -14.366  -8.723
  406    H    VAL  53           HN       VAL  53  14.168 -15.597 -12.728
  407    HA   VAL  53           HA       VAL  53  15.819 -17.844 -13.476
  408    HB   VAL  53           HB       VAL  53  14.080 -19.240 -12.432
  409   HG11  VAL  53          HG11      VAL  53  15.842 -18.299 -11.007
  410   HG12  VAL  53          HG12      VAL  53  14.334 -18.415 -10.101
  411   HG13  VAL  53          HG13      VAL  53  14.871 -16.853 -10.724
  412   HG21  VAL  53          HG21      VAL  53  12.129 -18.232 -11.277
  413   HG22  VAL  53          HG22      VAL  53  12.044 -17.992 -13.020
  414   HG23  VAL  53          HG23      VAL  53  12.535 -16.660 -11.975
  415    H    THR  54           HN       THR  54  12.855 -16.343 -14.692
  416    HA   THR  54           HA       THR  54  12.560 -18.309 -16.869
  417    HB   THR  54           HB       THR  54  10.460 -17.045 -17.429
  418    HG1  THR  54           HG1      THR  54  10.392 -15.663 -15.052
  419   HG21  THR  54          HG21      THR  54   9.142 -17.721 -15.456
  420   HG22  THR  54          HG22      THR  54  10.624 -17.912 -14.522
  421   HG23  THR  54          HG23      THR  54  10.307 -18.973 -15.895
  422    H    HIS  55           HN       HIS  55  14.946 -16.950 -17.195
  423    HA   HIS  55           HA       HIS  55  14.583 -14.246 -18.155
  424    HB2  HIS  55           HB2      HIS  55  16.539 -15.256 -16.657
  425    HB3  HIS  55           HB1      HIS  55  17.257 -15.691 -18.206
  426    HD1  HIS  55           HD1      HIS  55  17.766 -13.577 -19.849
  427    HD2  HIS  55           HD2      HIS  55  16.756 -12.693 -15.924
  428    HE1  HIS  55           HE1      HIS  55  18.391 -11.155 -19.478
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  -9.003  19.652  -2.770
    2    H2   MET   1           HT2      MET   1  -7.545  18.879  -3.122
    3    H3   MET   1           HT3      MET   1  -8.323  19.784  -4.317
    4    HA   MET   1           HA       MET   1  -6.424  20.941  -3.399
    5    HB2  MET   1           HB2      MET   1  -9.118  22.211  -2.719
    6    HB3  MET   1           HB1      MET   1  -7.595  23.085  -2.830
    7    HG2  MET   1           HG2      MET   1  -7.441  22.440  -5.229
    8    HG3  MET   1           HG1      MET   1  -9.028  21.684  -5.096
    9    HE1  MET   1           HE1      MET   1  -8.341  26.231  -4.506
   10    HE2  MET   1           HE2      MET   1  -7.039  25.119  -4.921
   11    HE3  MET   1           HE3      MET   1  -7.814  25.022  -3.340
   12    H    GLY   2           HN       GLY   2  -5.213  21.526  -1.624
   13    HA2  GLY   2           HA2      GLY   2  -5.729  22.513   0.742
   14    HA3  GLY   2           HA1      GLY   2  -6.232  20.857   1.059
   15    H    SER   3           HN       SER   3  -4.691  20.497   2.583
   16    HA   SER   3           HA       SER   3  -2.030  19.827   1.815
   17    HB2  SER   3           HB2      SER   3  -2.451  22.120   3.820
   18    HB3  SER   3           HB1      SER   3  -0.916  21.312   3.514
   19    HG   SER   3           HG       SER   3  -1.319  22.004   1.243
   20    H    HIS   4           HN       HIS   4  -2.118  17.776   2.829
   21    HA   HIS   4           HA       HIS   4  -3.905  17.465   5.138
   22    HB2  HIS   4           HB2      HIS   4  -3.019  15.691   2.845
   23    HB3  HIS   4           HB1      HIS   4  -3.515  14.927   4.341
   24    HD1  HIS   4           HD1      HIS   4  -5.913  14.308   4.339
   25    HD2  HIS   4           HD2      HIS   4  -5.198  17.639   1.961
   26    HE1  HIS   4           HE1      HIS   4  -8.138  14.919   3.343
   27    HE2  HIS   4           HE2      HIS   4  -7.656  16.858   1.818
   28    H    LYS   5           HN       LYS   5  -3.171  15.878   6.754
   29    HA   LYS   5           HA       LYS   5  -0.330  16.309   7.402
   30    HB2  LYS   5           HB2      LYS   5  -1.950  17.225   9.016
   31    HB3  LYS   5           HB1      LYS   5  -2.727  15.656   9.173
   32    HG2  LYS   5           HG2      LYS   5  -0.853  14.737  10.352
   33    HG3  LYS   5           HG1      LYS   5   0.173  16.110   9.939
   34    HD2  LYS   5           HD2      LYS   5  -0.561  16.226  12.295
   35    HD3  LYS   5           HD1      LYS   5  -1.181  17.593  11.370
   36    HE2  LYS   5           HE2      LYS   5  -2.915  16.748  12.853
   37    HE3  LYS   5           HE1      LYS   5  -3.383  16.436  11.182
   38    HZ1  LYS   5           HZ1      LYS   5  -2.220  14.478  13.085
   39    HZ2  LYS   5           HZ2      LYS   5  -2.580  14.150  11.466
   40    HZ3  LYS   5           HZ3      LYS   5  -3.818  14.537  12.546
   41    H    CYS   6           HN       CYS   6   0.981  14.596   7.074
   42    HA   CYS   6           HA       CYS   6   0.063  11.943   6.628
   43    HB2  CYS   6           HB2      CYS   6   2.202  12.866   5.683
   44    HB3  CYS   6           HB1      CYS   6   2.900  12.847   7.301
   45    H    ASN   7           HN       ASN   7  -1.139  11.262   8.407
   46    HA   ASN   7           HA       ASN   7  -0.586  11.188  11.092
   47    HB2  ASN   7           HB2      ASN   7  -2.675  10.334  10.017
   48    HB3  ASN   7           HB1      ASN   7  -1.801   8.925   9.432
   49   HD21  ASN   7          HD21      ASN   7  -1.200   7.295  10.959
   50   HD22  ASN   7          HD22      ASN   7  -1.947   7.191  12.514
   51    H    VAL   8           HN       VAL   8   0.920   9.277   8.576
   52    HA   VAL   8           HA       VAL   8   2.194   7.305  10.180
   53    HB   VAL   8           HB       VAL   8   3.201   8.288   7.467
   54   HG11  VAL   8          HG11      VAL   8   3.437   5.589   8.845
   55   HG12  VAL   8          HG12      VAL   8   4.725   6.773   8.615
   56   HG13  VAL   8          HG13      VAL   8   4.021   5.964   7.216
   57   HG21  VAL   8          HG21      VAL   8   0.792   7.848   7.262
   58   HG22  VAL   8          HG22      VAL   8   0.999   6.238   7.957
   59   HG23  VAL   8          HG23      VAL   8   1.722   6.627   6.392
   60    H    CYS   9           HN       CYS   9   3.413  10.388   8.780
   61    HA   CYS   9           HA       CYS   9   5.879  10.215  10.394
   62    HB2  CYS   9           HB2      CYS   9   5.111  12.356   8.363
   63    HB3  CYS   9           HB1      CYS   9   6.660  12.210   9.182
   64    H    SER  10           HN       SER  10   3.951  13.107   9.599
   65    HA   SER  10           HA       SER  10   2.872  13.885  11.997
   66    HB2  SER  10           HB2      SER  10   5.765  14.878  11.772
   67    HB3  SER  10           HB1      SER  10   4.566  15.618  12.828
   68    HG   SER  10           HG       SER  10   4.420  13.372  13.719
   69    H    ARG  11           HN       ARG  11   4.920  15.106   9.300
   70    HA   ARG  11           HA       ARG  11   3.776  17.746   9.483
   71    HB2  ARG  11           HB2      ARG  11   6.248  17.153   9.305
   72    HB3  ARG  11           HB1      ARG  11   5.948  16.634   7.660
   73    HG2  ARG  11           HG2      ARG  11   6.971  18.823   7.725
   74    HG3  ARG  11           HG1      ARG  11   5.355  18.893   7.026
   75    HD2  ARG  11           HD2      ARG  11   5.652  20.808   8.486
   76    HD3  ARG  11           HD1      ARG  11   4.472  19.719   9.210
   77    HE   ARG  11           HE       ARG  11   7.072  19.168  10.219
   78   HH11  ARG  11          HH11      ARG  11   4.473  21.533  10.542
   79   HH12  ARG  11          HH12      ARG  11   4.992  22.055  12.114
   80   HH21  ARG  11          HH21      ARG  11   7.738  19.888  12.271
   81   HH22  ARG  11          HH22      ARG  11   6.838  21.125  13.093
   82    H    THR  12           HN       THR  12   3.809  18.644   6.874
   83    HA   THR  12           HA       THR  12   1.549  17.286   5.604
   84    HB   THR  12           HB       THR  12   0.592  19.053   7.080
   85    HG1  THR  12           HG1      THR  12  -0.684  19.061   5.388
   86   HG21  THR  12          HG21      THR  12   1.082  21.438   6.700
   87   HG22  THR  12          HG22      THR  12   2.315  21.002   5.513
   88   HG23  THR  12          HG23      THR  12   2.533  20.573   7.213
   89    H    PHE  13           HN       PHE  13   1.295  17.893   3.370
   90    HA   PHE  13           HA       PHE  13   3.678  19.116   2.097
   91    HB2  PHE  13           HB2      PHE  13   2.888  16.666   1.508
   92    HB3  PHE  13           HB1      PHE  13   1.612  17.449   0.586
   93    HD1  PHE  13           HD1      PHE  13   2.373  19.155  -1.263
   94    HD2  PHE  13           HD2      PHE  13   5.034  16.340   0.532
   95    HE1  PHE  13           HE1      PHE  13   3.920  19.403  -3.153
   96    HE2  PHE  13           HE2      PHE  13   6.577  16.586  -1.369
   97    HZ   PHE  13           HZ       PHE  13   6.027  18.123  -3.214
   98    H    PHE  14           HN       PHE  14   3.423  20.904   0.840
   99    HA   PHE  14           HA       PHE  14   1.487  22.778   1.129
  100    HB2  PHE  14           HB2      PHE  14   3.218  22.302  -1.329
  101    HB3  PHE  14           HB1      PHE  14   2.366  23.804  -0.992
  102    HD1  PHE  14           HD2      PHE  14   3.088  25.273   0.878
  103    HD2  PHE  14           HD1      PHE  14   5.285  21.738  -0.121
  104    HE1  PHE  14           HE2      PHE  14   5.006  26.086   2.184
  105    HE2  PHE  14           HE1      PHE  14   7.190  22.557   1.202
  106    HZ   PHE  14           HZ       PHE  14   7.058  24.731   2.357
  107    H    SER  15           HN       SER  15   1.438  20.220  -1.331
  108    HA   SER  15           HA       SER  15  -1.275  21.016  -2.160
  109    HB2  SER  15           HB2      SER  15  -0.848  19.550  -4.154
  110    HB3  SER  15           HB1      SER  15   0.277  20.901  -4.041
  111    HG   SER  15           HG       SER  15   1.620  19.258  -4.383
  112    H    GLU  16           HN       GLU  16  -2.957  19.637  -1.821
  113    HA   GLU  16           HA       GLU  16  -2.994  17.455  -0.104
  114    HB2  GLU  16           HB2      GLU  16  -5.010  18.668  -0.739
  115    HB3  GLU  16           HB1      GLU  16  -4.844  18.160  -2.418
  116    HG2  GLU  16           HG2      GLU  16  -5.271  15.828  -1.762
  117    HG3  GLU  16           HG1      GLU  16  -5.421  16.317  -0.072
  118    H    ASN  17           HN       ASN  17  -2.807  17.508  -3.657
  119    HA   ASN  17           HA       ASN  17  -2.683  14.793  -4.291
  120    HB2  ASN  17           HB2      ASN  17  -1.417  17.223  -5.630
  121    HB3  ASN  17           HB1      ASN  17  -1.391  15.619  -6.352
  122   HD21  ASN  17          HD21      ASN  17  -2.499  16.735  -8.124
  123   HD22  ASN  17          HD22      ASN  17  -4.213  16.948  -8.049
  124    H    GLY  18           HN       GLY  18  -0.228  16.947  -3.035
  125    HA2  GLY  18           HA2      GLY  18   2.072  15.351  -3.699
  126    HA3  GLY  18           HA1      GLY  18   2.034  16.780  -2.683
  127    H    LEU  19           HN       LEU  19   0.190  15.980  -0.687
  128    HA   LEU  19           HA       LEU  19   1.737  14.310   0.984
  129    HB2  LEU  19           HB2      LEU  19  -0.014  16.081   1.649
  130    HB3  LEU  19           HB1      LEU  19  -1.234  14.870   1.378
  131    HG   LEU  19           HG       LEU  19  -0.586  15.201   3.793
  132   HD11  LEU  19          HD11      LEU  19  -0.519  12.869   4.480
  133   HD12  LEU  19          HD12      LEU  19  -0.137  12.373   2.829
  134   HD13  LEU  19          HD13      LEU  19  -1.693  13.125   3.189
  135   HD21  LEU  19          HD21      LEU  19   1.809  15.609   3.470
  136   HD22  LEU  19          HD22      LEU  19   2.045  13.914   3.036
  137   HD23  LEU  19          HD23      LEU  19   1.509  14.341   4.660
  138    H    ARG  20           HN       ARG  20  -1.255  13.681  -0.816
  139    HA   ARG  20           HA       ARG  20  -1.652  10.976  -0.428
  140    HB2  ARG  20           HB2      ARG  20  -2.001  12.535  -2.994
  141    HB3  ARG  20           HB1      ARG  20  -2.641  10.915  -2.718
  142    HG2  ARG  20           HG2      ARG  20  -3.982  11.813  -0.805
  143    HG3  ARG  20           HG1      ARG  20  -3.411  13.435  -1.215
  144    HD2  ARG  20           HD2      ARG  20  -4.400  13.192  -3.460
  145    HD3  ARG  20           HD1      ARG  20  -4.988  11.591  -3.006
  146    HE   ARG  20           HE       ARG  20  -5.931  13.504  -1.160
  147   HH11  ARG  20          HH11      ARG  20  -6.454  12.531  -4.481
  148   HH12  ARG  20          HH12      ARG  20  -8.112  13.034  -4.497
  149   HH21  ARG  20          HH21      ARG  20  -8.121  14.169  -1.195
  150   HH22  ARG  20          HH22      ARG  20  -9.050  13.965  -2.646
  151    H    GLU  21           HN       GLU  21   0.486  12.500  -2.799
  152    HA   GLU  21           HA       GLU  21   1.473  10.187  -4.081
  153    HB2  GLU  21           HB2      GLU  21   1.569  12.455  -5.066
  154    HB3  GLU  21           HB1      GLU  21   2.705  12.961  -3.820
  155    HG2  GLU  21           HG2      GLU  21   4.373  11.345  -4.713
  156    HG3  GLU  21           HG1      GLU  21   3.231  10.896  -5.983
  157    H    HIS  22           HN       HIS  22   2.592  12.052  -1.329
  158    HA   HIS  22           HA       HIS  22   5.046  10.696  -0.816
  159    HB2  HIS  22           HB2      HIS  22   4.866  12.923   0.001
  160    HB3  HIS  22           HB1      HIS  22   3.279  12.652   0.697
  161    HD1  HIS  22           HD1      HIS  22   6.948  12.025   1.431
  162    HD2  HIS  22           HD2      HIS  22   3.248  11.840   3.296
  163    HE1  HIS  22           HE1      HIS  22   7.399  11.590   3.879
  164    H    LEU  23           HN       LEU  23   1.726  10.275   0.293
  165    HA   LEU  23           HA       LEU  23   2.092   8.478   2.394
  166    HB2  LEU  23           HB2      LEU  23   0.078   9.935   1.654
  167    HB3  LEU  23           HB1      LEU  23  -0.354   8.601   0.606
  168    HG   LEU  23           HG       LEU  23  -0.079   8.278   3.620
  169   HD11  LEU  23          HD11      LEU  23  -1.719  10.048   3.177
  170   HD12  LEU  23          HD12      LEU  23  -2.502   8.605   3.813
  171   HD13  LEU  23          HD13      LEU  23  -2.603   8.975   2.089
  172   HD21  LEU  23          HD21      LEU  23  -1.583   6.620   1.565
  173   HD22  LEU  23          HD22      LEU  23  -1.579   6.335   3.308
  174   HD23  LEU  23          HD23      LEU  23  -0.088   6.160   2.383
  175    H    GLN  24           HN       GLN  24   1.791   7.954  -1.083
  176    HA   GLN  24           HA       GLN  24   1.223   5.240  -1.240
  177    HB2  GLN  24           HB2      GLN  24   3.045   6.760  -3.154
  178    HB3  GLN  24           HB1      GLN  24   2.146   5.290  -3.503
  179    HG2  GLN  24           HG2      GLN  24   0.024   6.572  -3.198
  180    HG3  GLN  24           HG1      GLN  24   0.988   8.036  -2.979
  181   HE21  GLN  24          HE21      GLN  24   2.268   8.772  -4.800
  182   HE22  GLN  24          HE22      GLN  24   1.798   8.375  -6.414
  183    H    THR  25           HN       THR  25   4.156   6.740  -0.234
  184    HA   THR  25           HA       THR  25   6.005   4.680  -1.079
  185    HB   THR  25           HB       THR  25   7.731   6.033  -0.038
  186    HG1  THR  25           HG1      THR  25   6.353   8.106   0.953
  187   HG21  THR  25          HG21      THR  25   7.419   8.227  -1.133
  188   HG22  THR  25          HG22      THR  25   5.697   7.892  -1.322
  189   HG23  THR  25          HG23      THR  25   6.885   6.917  -2.189
  190    H    HIS  26           HN       HIS  26   4.043   5.331   1.700
  191    HA   HIS  26           HA       HIS  26   5.748   4.068   3.655
  192    HB2  HIS  26           HB2      HIS  26   2.944   5.212   3.796
  193    HB3  HIS  26           HB1      HIS  26   3.704   4.416   5.171
  194    HD1  HIS  26           HD1      HIS  26   6.348   5.484   5.491
  195    HD2  HIS  26           HD2      HIS  26   3.275   7.891   4.050
  196    HE1  HIS  26           HE1      HIS  26   7.015   7.863   5.982
  197    H    ARG  27           HN       ARG  27   2.957   3.091   1.728
  198    HA   ARG  27           HA       ARG  27   2.811   0.457   2.955
  199    HB2  ARG  27           HB2      ARG  27   1.449   1.539   0.439
  200    HB3  ARG  27           HB1      ARG  27   0.982   0.102   1.348
  201    HG2  ARG  27           HG2      ARG  27   0.307   1.487   3.258
  202    HG3  ARG  27           HG1      ARG  27   0.865   2.943   2.430
  203    HD2  ARG  27           HD2      ARG  27  -0.841   2.542   0.652
  204    HD3  ARG  27           HD1      ARG  27  -1.429   1.146   1.565
  205    HE   ARG  27           HE       ARG  27  -1.496   3.292   3.318
  206   HH11  ARG  27          HH11      ARG  27  -3.050   2.484   0.272
  207   HH12  ARG  27          HH12      ARG  27  -4.455   3.445   0.598
  208   HH21  ARG  27          HH21      ARG  27  -3.357   4.539   3.736
  209   HH22  ARG  27          HH22      ARG  27  -4.636   4.594   2.563
  210    H    GLY  28           HN       GLY  28   5.407   1.163   1.876
  211    HA2  GLY  28           HA2      GLY  28   7.098   0.229   0.629
  212    HA3  GLY  28           HA1      GLY  28   5.956  -0.933  -0.032
  213    HA   PRO  29           HA       PRO  29   6.738   2.376  -3.347
  214    HB2  PRO  29           HB2      PRO  29   8.002   0.784  -5.201
  215    HB3  PRO  29           HB1      PRO  29   8.885   1.749  -4.007
  216    HG2  PRO  29           HG2      PRO  29   8.202  -1.185  -3.952
  217    HG3  PRO  29           HG1      PRO  29   9.718  -0.376  -3.492
  218    HD2  PRO  29           HD2      PRO  29   7.876  -1.198  -1.643
  219    HD3  PRO  29           HD1      PRO  29   8.904   0.230  -1.393
  220    H    ALA  30           HN       ALA  30   4.645   2.488  -4.072
  221    HA   ALA  30           HA       ALA  30   2.845   0.528  -4.655
  222    HB1  ALA  30           HB1      ALA  30   1.522   2.217  -5.811
  223    HB2  ALA  30           HB2      ALA  30   2.934   3.264  -5.961
  224    HB3  ALA  30           HB3      ALA  30   2.269   2.899  -4.368
  225    H    LYS  31           HN       LYS  31   4.289  -0.975  -5.698
  226    HA   LYS  31           HA       LYS  31   3.653  -1.257  -8.524
  227    HB2  LYS  31           HB2      LYS  31   6.396  -1.820  -7.287
  228    HB3  LYS  31           HB1      LYS  31   5.918  -2.266  -8.923
  229    HG2  LYS  31           HG2      LYS  31   5.778   0.085  -9.562
  230    HG3  LYS  31           HG1      LYS  31   6.095   0.579  -7.904
  231    HD2  LYS  31           HD2      LYS  31   8.144   0.887  -9.096
  232    HD3  LYS  31           HD1      LYS  31   8.362  -0.536  -8.083
  233    HE2  LYS  31           HE2      LYS  31   7.683  -0.631 -11.042
  234    HE3  LYS  31           HE1      LYS  31   9.315  -0.764 -10.391
  235    HZ1  LYS  31           HZ1      LYS  31   8.511  -2.927 -10.824
  236    HZ2  LYS  31           HZ2      LYS  31   7.068  -2.664  -9.998
  237    HZ3  LYS  31           HZ3      LYS  31   8.524  -2.757  -9.144
  238    H    HIS  32           HN       HIS  32   2.708  -2.124  -5.829
  239    HA   HIS  32           HA       HIS  32   3.516  -4.952  -5.573
  240    HB2  HIS  32           HB2      HIS  32   2.831  -4.665  -3.154
  241    HB3  HIS  32           HB1      HIS  32   4.196  -3.672  -3.639
  242    HD1  HIS  32           HD1      HIS  32   0.401  -3.198  -3.331
  243    HD2  HIS  32           HD2      HIS  32   3.953  -1.124  -2.727
  244    HE1  HIS  32           HE1      HIS  32  -0.267  -0.967  -2.399
  245    HE2  HIS  32           HE2      HIS  32   1.905   0.224  -1.930
  246    H    TYR  33           HN       TYR  33   1.872  -6.385  -4.633
  247    HA   TYR  33           HA       TYR  33  -0.843  -5.840  -5.661
  248    HB2  TYR  33           HB2      TYR  33   0.770  -8.430  -5.766
  249    HB3  TYR  33           HB1      TYR  33  -0.936  -8.313  -6.201
  250    HD1  TYR  33           HD1      TYR  33   2.498  -7.241  -7.177
  251    HD2  TYR  33           HD2      TYR  33  -1.607  -7.351  -8.357
  252    HE1  TYR  33           HE1      TYR  33   3.130  -6.507  -9.430
  253    HE2  TYR  33           HE2      TYR  33  -0.965  -6.631 -10.619
  254    HH   TYR  33           HH       TYR  33   2.271  -6.595 -11.700
  255    H    MET  34           HN       MET  34  -2.520  -6.282  -4.371
  256    HA   MET  34           HA       MET  34  -1.949  -7.093  -1.575
  257    HB2  MET  34           HB2      MET  34  -2.537  -4.660  -2.001
  258    HB3  MET  34           HB1      MET  34  -4.103  -5.177  -2.597
  259    HG2  MET  34           HG2      MET  34  -4.716  -5.998  -0.389
  260    HG3  MET  34           HG1      MET  34  -3.098  -5.640   0.229
  261    HE1  MET  34           HE1      MET  34  -5.752  -4.513   1.692
  262    HE2  MET  34           HE2      MET  34  -5.283  -2.842   1.992
  263    HE3  MET  34           HE3      MET  34  -4.121  -4.140   2.251
  264    H    CYS  35           HN       CYS  35  -3.340  -8.531  -0.598
  265    HA   CYS  35           HA       CYS  35  -4.598 -10.502  -2.147
  266    HB2  CYS  35           HB2      CYS  35  -3.788 -11.155  -0.033
  267    HB3  CYS  35           HB1      CYS  35  -4.572  -9.854   0.787
  268    HA   PRO  36           HA       PRO  36  -8.783  -8.761  -2.723
  269    HB2  PRO  36           HB2      PRO  36  -9.531 -11.645  -3.164
  270    HB3  PRO  36           HB1      PRO  36  -9.808 -10.237  -4.202
  271    HG2  PRO  36           HG2      PRO  36  -7.926 -12.009  -4.850
  272    HG3  PRO  36           HG1      PRO  36  -7.640 -10.268  -5.064
  273    HD2  PRO  36           HD2      PRO  36  -6.669 -12.081  -2.846
  274    HD3  PRO  36           HD1      PRO  36  -5.773 -10.850  -3.773
  275    H    ILE  37           HN       ILE  37  -8.362 -11.811  -0.830
  276    HA   ILE  37           HA       ILE  37 -10.923 -11.564   0.416
  277    HB   ILE  37           HB       ILE  37  -8.650 -13.485   1.064
  278   HG12  ILE  37          HG12      ILE  37 -11.003 -13.897  -0.866
  279   HG13  ILE  37          HG11      ILE  37  -9.345 -13.568  -1.363
  280   HG21  ILE  37          HG21      ILE  37 -11.628 -13.710   1.658
  281   HG22  ILE  37          HG22      ILE  37 -10.356 -13.405   2.837
  282   HG23  ILE  37          HG23      ILE  37 -10.417 -14.950   1.995
  283   HD11  ILE  37          HD11      ILE  37 -10.276 -16.010   0.143
  284   HD12  ILE  37          HD12      ILE  37  -8.622 -15.688  -0.386
  285   HD13  ILE  37          HD13      ILE  37  -9.900 -15.920  -1.576
  286    H    CYS  38           HN       CYS  38  -7.611 -11.600   1.918
  287    HA   CYS  38           HA       CYS  38  -8.674  -9.846   4.022
  288    HB2  CYS  38           HB2      CYS  38  -7.028 -10.985   5.560
  289    HB3  CYS  38           HB1      CYS  38  -8.399 -11.922   5.045
  290    H    GLY  39           HN       GLY  39  -6.605  -9.544   1.509
  291    HA2  GLY  39           HA2      GLY  39  -5.437  -7.770   0.843
  292    HA3  GLY  39           HA1      GLY  39  -6.137  -6.886   2.196
  293    H    GLU  40           HN       GLU  40  -3.977  -9.595   2.656
  294    HA   GLU  40           HA       GLU  40  -1.806  -8.360   3.773
  295    HB2  GLU  40           HB2      GLU  40  -1.902 -10.896   2.091
  296    HB3  GLU  40           HB1      GLU  40  -0.467 -10.372   2.952
  297    HG2  GLU  40           HG2      GLU  40  -1.633 -12.107   4.163
  298    HG3  GLU  40           HG1      GLU  40  -1.607 -10.612   5.088
  299    H    ARG  41           HN       ARG  41   0.069  -7.476   3.050
  300    HA   ARG  41           HA       ARG  41   0.130  -6.448   0.319
  301    HB2  ARG  41           HB2      ARG  41   1.957  -4.991   1.203
  302    HB3  ARG  41           HB1      ARG  41   0.451  -4.830   2.096
  303    HG2  ARG  41           HG2      ARG  41   1.370  -6.264   3.891
  304    HG3  ARG  41           HG1      ARG  41   2.888  -6.397   3.007
  305    HD2  ARG  41           HD2      ARG  41   1.702  -3.800   4.035
  306    HD3  ARG  41           HD1      ARG  41   2.955  -4.733   4.855
  307    HE   ARG  41           HE       ARG  41   3.609  -3.976   2.139
  308   HH11  ARG  41          HH11      ARG  41   3.759  -2.973   5.501
  309   HH12  ARG  41          HH12      ARG  41   5.099  -1.900   5.245
  310   HH21  ARG  41          HH21      ARG  41   5.386  -2.570   1.823
  311   HH22  ARG  41          HH22      ARG  41   6.009  -1.666   3.167
  312    H    PHE  42           HN       PHE  42   1.381  -7.321  -1.211
  313    HA   PHE  42           HA       PHE  42   3.919  -8.635  -0.488
  314    HB2  PHE  42           HB2      PHE  42   1.801  -9.766  -2.374
  315    HB3  PHE  42           HB1      PHE  42   3.467 -10.322  -2.359
  316    HD1  PHE  42           HD2      PHE  42   4.404 -11.504  -0.366
  317    HD2  PHE  42           HD1      PHE  42   0.256 -10.487  -0.605
  318    HE1  PHE  42           HE2      PHE  42   3.901 -13.069   1.465
  319    HE2  PHE  42           HE1      PHE  42  -0.223 -12.039   1.228
  320    HZ   PHE  42           HZ       PHE  42   1.591 -13.334   2.270
  321    HA   PRO  43           HA       PRO  43   5.490  -5.737  -3.426
  322    HB2  PRO  43           HB2      PRO  43   7.907  -6.840  -4.067
  323    HB3  PRO  43           HB1      PRO  43   7.562  -6.201  -2.452
  324    HG2  PRO  43           HG2      PRO  43   7.410  -9.056  -3.424
  325    HG3  PRO  43           HG1      PRO  43   8.216  -8.425  -1.971
  326    HD2  PRO  43           HD2      PRO  43   5.769  -9.539  -1.837
  327    HD3  PRO  43           HD1      PRO  43   6.198  -8.146  -0.817
  328    H    SER  44           HN       SER  44   4.616  -8.898  -4.506
  329    HA   SER  44           HA       SER  44   4.746  -8.126  -7.320
  330    HB2  SER  44           HB2      SER  44   6.002 -10.196  -7.965
  331    HB3  SER  44           HB1      SER  44   6.969  -9.093  -6.998
  332    HG   SER  44           HG       SER  44   7.321 -10.846  -5.868
  333    H    LEU  45           HN       LEU  45   3.825  -9.799  -8.718
  334    HA   LEU  45           HA       LEU  45   1.387 -10.998  -7.581
  335    HB2  LEU  45           HB2      LEU  45   1.729  -9.499  -9.827
  336    HB3  LEU  45           HB1      LEU  45   2.054 -11.062 -10.539
  337    HG   LEU  45           HG       LEU  45  -0.547 -10.161  -9.235
  338   HD11  LEU  45          HD11      LEU  45  -0.159  -9.180 -11.445
  339   HD12  LEU  45          HD12      LEU  45  -1.506 -10.317 -11.484
  340   HD13  LEU  45          HD13      LEU  45   0.067 -10.792 -12.138
  341   HD21  LEU  45          HD21      LEU  45   0.025 -12.856 -10.510
  342   HD22  LEU  45          HD22      LEU  45  -1.543 -12.290  -9.930
  343   HD23  LEU  45          HD23      LEU  45  -0.232 -12.557  -8.787
  344    H    LEU  46           HN       LEU  46   3.637 -12.243  -6.726
  345    HA   LEU  46           HA       LEU  46   3.600 -14.872  -7.978
  346    HB2  LEU  46           HB2      LEU  46   6.211 -13.418  -7.331
  347    HB3  LEU  46           HB1      LEU  46   6.078 -15.126  -7.711
  348    HG   LEU  46           HG       LEU  46   5.069 -14.271 -10.009
  349   HD11  LEU  46          HD11      LEU  46   6.684 -11.818  -9.255
  350   HD12  LEU  46          HD12      LEU  46   4.932 -11.884  -9.426
  351   HD13  LEU  46          HD13      LEU  46   5.958 -12.155 -10.830
  352   HD21  LEU  46          HD21      LEU  46   7.172 -15.531  -9.802
  353   HD22  LEU  46          HD22      LEU  46   8.042 -14.033  -9.463
  354   HD23  LEU  46          HD23      LEU  46   7.283 -14.279 -11.037
  355    H    THR  47           HN       THR  47   5.214 -12.953  -5.431
  356    HA   THR  47           HA       THR  47   4.930 -14.720  -3.297
  357    HB   THR  47           HB       THR  47   5.046 -12.568  -1.866
  358    HG1  THR  47           HG1      THR  47   5.783 -11.017  -4.004
  359   HG21  THR  47          HG21      THR  47   7.366 -12.010  -2.543
  360   HG22  THR  47          HG22      THR  47   7.148 -12.926  -4.038
  361   HG23  THR  47          HG23      THR  47   7.110 -13.759  -2.482
  362    H    LEU  48           HN       LEU  48   2.664 -12.256  -4.518
  363    HA   LEU  48           HA       LEU  48   0.574 -12.660  -2.652
  364    HB2  LEU  48           HB2      LEU  48   0.866 -10.741  -4.357
  365    HB3  LEU  48           HB1      LEU  48   0.210 -11.823  -5.562
  366    HG   LEU  48           HG       LEU  48  -1.421 -10.123  -4.653
  367   HD11  LEU  48          HD11      LEU  48  -3.358 -11.569  -4.434
  368   HD12  LEU  48          HD12      LEU  48  -2.324 -12.971  -4.158
  369   HD13  LEU  48          HD13      LEU  48  -2.305 -12.150  -5.720
  370   HD21  LEU  48          HD21      LEU  48  -2.410 -10.427  -2.424
  371   HD22  LEU  48          HD22      LEU  48  -0.691 -10.050  -2.336
  372   HD23  LEU  48          HD23      LEU  48  -1.243 -11.705  -2.075
  373    H    THR  49           HN       THR  49   1.486 -14.389  -5.607
  374    HA   THR  49           HA       THR  49  -0.906 -15.854  -6.014
  375    HB   THR  49           HB       THR  49   1.930 -16.498  -6.924
  376    HG1  THR  49           HG1      THR  49   0.819 -15.603  -8.950
  377   HG21  THR  49          HG21      THR  49   0.496 -18.511  -7.107
  378   HG22  THR  49          HG22      THR  49   0.862 -17.868  -8.708
  379   HG23  THR  49          HG23      THR  49  -0.722 -17.582  -7.981
  380    H    GLU  50           HN       GLU  50   2.219 -16.795  -4.431
  381    HA   GLU  50           HA       GLU  50   1.530 -19.268  -3.466
  382    HB2  GLU  50           HB2      GLU  50   3.377 -17.102  -2.468
  383    HB3  GLU  50           HB1      GLU  50   3.135 -18.537  -1.476
  384    HG2  GLU  50           HG2      GLU  50   5.093 -18.838  -2.791
  385    HG3  GLU  50           HG1      GLU  50   3.872 -19.948  -3.363
  386    H    HIS  51           HN       HIS  51   0.907 -16.119  -1.833
  387    HA   HIS  51           HA       HIS  51  -0.425 -17.150   0.432
  388    HB2  HIS  51           HB2      HIS  51   0.330 -14.840   0.414
  389    HB3  HIS  51           HB1      HIS  51  -0.729 -14.441  -0.932
  390    HD1  HIS  51           HD1      HIS  51  -1.119 -15.661   2.692
  391    HD2  HIS  51           HD2      HIS  51  -3.058 -13.312  -0.130
  392    HE1  HIS  51           HE1      HIS  51  -3.156 -14.704   3.843
  393    H    LYS  52           HN       LYS  52  -1.559 -16.454  -2.792
  394    HA   LYS  52           HA       LYS  52  -4.349 -16.309  -2.182
  395    HB2  LYS  52           HB2      LYS  52  -3.160 -15.136  -4.087
  396    HB3  LYS  52           HB1      LYS  52  -3.030 -16.682  -4.910
  397    HG2  LYS  52           HG2      LYS  52  -5.430 -16.814  -5.155
  398    HG3  LYS  52           HG1      LYS  52  -5.659 -15.399  -4.123
  399    HD2  LYS  52           HD2      LYS  52  -4.398 -14.024  -5.826
  400    HD3  LYS  52           HD1      LYS  52  -4.350 -15.444  -6.875
  401    HE2  LYS  52           HE2      LYS  52  -6.850 -14.052  -5.897
  402    HE3  LYS  52           HE1      LYS  52  -6.139 -13.873  -7.500
  403    HZ1  LYS  52           HZ1      LYS  52  -7.905 -15.410  -7.661
  404    HZ2  LYS  52           HZ2      LYS  52  -7.362 -16.310  -6.343
  405    HZ3  LYS  52           HZ3      LYS  52  -6.479 -16.313  -7.782
  406    H    VAL  53           HN       VAL  53  -2.191 -18.880  -3.408
  407    HA   VAL  53           HA       VAL  53  -4.376 -20.727  -3.871
  408    HB   VAL  53           HB       VAL  53  -2.649 -22.319  -4.593
  409   HG11  VAL  53          HG11      VAL  53  -2.311 -19.568  -5.847
  410   HG12  VAL  53          HG12      VAL  53  -3.558 -20.749  -6.249
  411   HG13  VAL  53          HG13      VAL  53  -1.867 -21.098  -6.612
  412   HG21  VAL  53          HG21      VAL  53  -0.258 -21.689  -4.761
  413   HG22  VAL  53          HG22      VAL  53  -0.798 -21.715  -3.079
  414   HG23  VAL  53          HG23      VAL  53  -0.601 -20.175  -3.918
  415    H    THR  54           HN       THR  54  -1.776 -20.278  -1.482
  416    HA   THR  54           HA       THR  54  -2.558 -22.541   0.149
  417    HB   THR  54           HB       THR  54  -0.887 -21.745   1.788
  418    HG1  THR  54           HG1      THR  54  -1.020 -19.403   0.251
  419   HG21  THR  54          HG21      THR  54  -0.018 -23.023  -0.149
  420   HG22  THR  54          HG22      THR  54   1.149 -21.815   0.389
  421   HG23  THR  54          HG23      THR  54   0.179 -21.518  -1.052
  422    H    HIS  55           HN       HIS  55  -4.347 -19.977  -0.404
  423    HA   HIS  55           HA       HIS  55  -4.915 -18.762   2.037
  424    HB2  HIS  55           HB2      HIS  55  -5.782 -18.366  -0.558
  425    HB3  HIS  55           HB1      HIS  55  -7.237 -19.036   0.158
  426    HD1  HIS  55           HD1      HIS  55  -7.970 -17.709   2.483
  427    HD2  HIS  55           HD2      HIS  55  -5.480 -15.749  -0.196
  428    HE1  HIS  55           HE1      HIS  55  -8.000 -15.271   3.137
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -10.502  26.021   7.145
    2    H2   MET   1           HT2      MET   1  -9.222  25.420   8.059
    3    H3   MET   1           HT3      MET   1 -10.690  24.590   8.031
    4    HA   MET   1           HA       MET   1 -10.437  24.121   5.710
    5    HB2  MET   1           HB2      MET   1  -9.095  26.108   5.110
    6    HB3  MET   1           HB1      MET   1  -7.724  25.492   6.023
    7    HG2  MET   1           HG2      MET   1  -7.533  23.585   4.454
    8    HG3  MET   1           HG1      MET   1  -8.921  24.203   3.548
    9    HE1  MET   1           HE1      MET   1  -8.823  26.323   1.943
   10    HE2  MET   1           HE2      MET   1  -7.455  27.448   1.906
   11    HE3  MET   1           HE3      MET   1  -8.456  27.319   3.351
   12    H    GLY   2           HN       GLY   2  -7.635  24.079   7.960
   13    HA2  GLY   2           HA2      GLY   2  -6.980  22.293   9.302
   14    HA3  GLY   2           HA1      GLY   2  -7.967  21.194   8.349
   15    H    SER   3           HN       SER   3  -5.978  19.851   8.537
   16    HA   SER   3           HA       SER   3  -4.218  20.215   6.229
   17    HB2  SER   3           HB2      SER   3  -3.122  19.875   9.055
   18    HB3  SER   3           HB1      SER   3  -2.157  19.878   7.580
   19    HG   SER   3           HG       SER   3  -3.345  22.071   7.348
   20    H    HIS   4           HN       HIS   4  -5.138  18.357   5.368
   21    HA   HIS   4           HA       HIS   4  -5.168  15.791   6.437
   22    HB2  HIS   4           HB2      HIS   4  -5.822  16.512   3.980
   23    HB3  HIS   4           HB1      HIS   4  -4.149  16.119   3.571
   24    HD1  HIS   4           HD1      HIS   4  -7.435  14.568   3.975
   25    HD2  HIS   4           HD2      HIS   4  -3.494  13.313   4.227
   26    HE1  HIS   4           HE1      HIS   4  -7.504  12.072   3.833
   27    HE2  HIS   4           HE2      HIS   4  -5.130  11.342   4.167
   28    H    LYS   5           HN       LYS   5  -3.522  15.419   7.853
   29    HA   LYS   5           HA       LYS   5  -0.730  15.880   7.134
   30    HB2  LYS   5           HB2      LYS   5  -1.668  16.585   9.354
   31    HB3  LYS   5           HB1      LYS   5  -1.987  14.900   9.741
   32    HG2  LYS   5           HG2      LYS   5   0.485  14.462   9.554
   33    HG3  LYS   5           HG1      LYS   5   0.726  16.196   9.343
   34    HD2  LYS   5           HD2      LYS   5  -0.506  14.878  11.807
   35    HD3  LYS   5           HD1      LYS   5   1.157  15.437  11.678
   36    HE2  LYS   5           HE2      LYS   5   0.080  17.161  12.854
   37    HE3  LYS   5           HE1      LYS   5   0.134  17.768  11.201
   38    HZ1  LYS   5           HZ1      LYS   5  -2.206  16.418  12.431
   39    HZ2  LYS   5           HZ2      LYS   5  -2.158  17.150  10.911
   40    HZ3  LYS   5           HZ3      LYS   5  -2.019  18.093  12.301
   41    H    CYS   6           HN       CYS   6   0.856  14.204   7.146
   42    HA   CYS   6           HA       CYS   6  -0.092  11.528   6.511
   43    HB2  CYS   6           HB2      CYS   6   1.844  12.552   5.307
   44    HB3  CYS   6           HB1      CYS   6   2.754  12.569   6.812
   45    H    ASN   7           HN       ASN   7  -0.895  10.557   8.292
   46    HA   ASN   7           HA       ASN   7  -0.469  10.995  10.935
   47    HB2  ASN   7           HB2      ASN   7  -2.307   9.630  10.016
   48    HB3  ASN   7           HB1      ASN   7  -1.186   8.327   9.654
   49   HD21  ASN   7          HD21      ASN   7  -2.818  10.087  12.217
   50   HD22  ASN   7          HD22      ASN   7  -2.596   8.896  13.451
   51    H    VAL   8           HN       VAL   8   1.367   8.661   8.981
   52    HA   VAL   8           HA       VAL   8   2.839   7.419  11.061
   53    HB   VAL   8           HB       VAL   8   3.666   7.756   8.135
   54   HG11  VAL   8          HG11      VAL   8   5.544   6.995   9.541
   55   HG12  VAL   8          HG12      VAL   8   5.014   5.704   8.472
   56   HG13  VAL   8          HG13      VAL   8   4.566   5.668  10.179
   57   HG21  VAL   8          HG21      VAL   8   2.060   5.500   9.406
   58   HG22  VAL   8          HG22      VAL   8   2.605   5.556   7.724
   59   HG23  VAL   8          HG23      VAL   8   1.442   6.742   8.316
   60    H    CYS   9           HN       CYS   9   3.660  10.054   8.873
   61    HA   CYS   9           HA       CYS   9   6.290  10.555   9.903
   62    HB2  CYS   9           HB2      CYS   9   4.494  12.090   8.012
   63    HB3  CYS   9           HB1      CYS   9   6.104  12.646   8.450
   64    H    SER  10           HN       SER  10   3.150  11.891  10.539
   65    HA   SER  10           HA       SER  10   2.243  13.532  11.757
   66    HB2  SER  10           HB2      SER  10   4.884  13.527  13.272
   67    HB3  SER  10           HB1      SER  10   3.463  14.449  13.765
   68    HG   SER  10           HG       SER  10   2.341  12.530  14.042
   69    H    ARG  11           HN       ARG  11   4.424  14.035   9.485
   70    HA   ARG  11           HA       ARG  11   4.435  16.978   9.666
   71    HB2  ARG  11           HB2      ARG  11   5.996  15.124   7.819
   72    HB3  ARG  11           HB1      ARG  11   6.152  16.883   7.872
   73    HG2  ARG  11           HG2      ARG  11   6.941  16.755  10.197
   74    HG3  ARG  11           HG1      ARG  11   6.758  15.000  10.173
   75    HD2  ARG  11           HD2      ARG  11   8.481  14.869   8.389
   76    HD3  ARG  11           HD1      ARG  11   8.691  16.621   8.474
   77    HE   ARG  11           HE       ARG  11   9.958  16.348  10.353
   78   HH11  ARG  11          HH11      ARG  11   8.183  13.331   9.914
   79   HH12  ARG  11          HH12      ARG  11   8.984  12.535  11.223
   80   HH21  ARG  11          HH21      ARG  11  11.013  15.254  12.041
   81   HH22  ARG  11          HH22      ARG  11  10.579  13.616  12.417
   82    H    THR  12           HN       THR  12   4.208  18.089   7.476
   83    HA   THR  12           HA       THR  12   1.583  17.244   6.401
   84    HB   THR  12           HB       THR  12   1.200  19.793   6.276
   85    HG1  THR  12           HG1      THR  12   2.547  21.099   7.374
   86   HG21  THR  12          HG21      THR  12   0.515  19.971   8.648
   87   HG22  THR  12          HG22      THR  12   1.451  18.522   9.026
   88   HG23  THR  12          HG23      THR  12   0.045  18.414   7.961
   89    H    PHE  13           HN       PHE  13   0.978  18.127   4.349
   90    HA   PHE  13           HA       PHE  13   2.974  17.811   2.333
   91    HB2  PHE  13           HB2      PHE  13   1.064  18.081   0.746
   92    HB3  PHE  13           HB1      PHE  13   0.760  16.908   2.009
   93    HD1  PHE  13           HD2      PHE  13  -0.098  20.366   0.886
   94    HD2  PHE  13           HD1      PHE  13  -1.126  17.144   3.489
   95    HE1  PHE  13           HE2      PHE  13  -2.242  21.450   1.385
   96    HE2  PHE  13           HE1      PHE  13  -3.268  18.235   3.977
   97    HZ   PHE  13           HZ       PHE  13  -3.843  20.389   2.931
   98    H    PHE  14           HN       PHE  14   2.564  19.281   0.249
   99    HA   PHE  14           HA       PHE  14   2.860  22.144   0.893
  100    HB2  PHE  14           HB2      PHE  14   4.883  21.339  -0.191
  101    HB3  PHE  14           HB1      PHE  14   3.960  20.483  -1.421
  102    HD1  PHE  14           HD1      PHE  14   4.595  23.960  -0.128
  103    HD2  PHE  14           HD2      PHE  14   3.550  21.536  -3.501
  104    HE1  PHE  14           HE1      PHE  14   4.699  25.939  -1.589
  105    HE2  PHE  14           HE2      PHE  14   3.672  23.521  -4.955
  106    HZ   PHE  14           HZ       PHE  14   4.243  25.724  -3.998
  107    H    SER  15           HN       SER  15   1.849  20.008  -1.801
  108    HA   SER  15           HA       SER  15  -0.653  21.556  -2.156
  109    HB2  SER  15           HB2      SER  15  -0.725  20.548  -4.414
  110    HB3  SER  15           HB1      SER  15   0.803  21.393  -4.169
  111    HG   SER  15           HG       SER  15   1.828  19.568  -4.355
  112    H    GLU  16           HN       GLU  16  -2.598  20.211  -2.674
  113    HA   GLU  16           HA       GLU  16  -3.063  18.441  -0.494
  114    HB2  GLU  16           HB2      GLU  16  -5.361  18.203  -1.443
  115    HB3  GLU  16           HB1      GLU  16  -4.849  19.880  -1.284
  116    HG2  GLU  16           HG2      GLU  16  -4.399  20.026  -3.678
  117    HG3  GLU  16           HG1      GLU  16  -4.752  18.312  -3.885
  118    H    ASN  17           HN       ASN  17  -2.639  17.885  -3.980
  119    HA   ASN  17           HA       ASN  17  -3.040  15.030  -3.872
  120    HB2  ASN  17           HB2      ASN  17  -1.792  16.738  -6.065
  121    HB3  ASN  17           HB1      ASN  17  -2.285  15.054  -6.231
  122   HD21  ASN  17          HD21      ASN  17  -3.172  17.300  -7.783
  123   HD22  ASN  17          HD22      ASN  17  -4.884  17.405  -7.589
  124    H    GLY  18           HN       GLY  18  -0.442  17.240  -3.420
  125    HA2  GLY  18           HA2      GLY  18   1.853  15.672  -3.718
  126    HA3  GLY  18           HA1      GLY  18   1.680  17.019  -2.602
  127    H    LEU  19           HN       LEU  19  -0.385  15.915  -0.942
  128    HA   LEU  19           HA       LEU  19   1.119  14.204   0.797
  129    HB2  LEU  19           HB2      LEU  19  -0.793  15.900   1.365
  130    HB3  LEU  19           HB1      LEU  19  -1.900  14.603   1.015
  131    HG   LEU  19           HG       LEU  19  -1.418  14.934   3.456
  132   HD11  LEU  19          HD11      LEU  19  -2.278  12.796   2.756
  133   HD12  LEU  19          HD12      LEU  19  -1.150  12.596   4.095
  134   HD13  LEU  19          HD13      LEU  19  -0.646  12.198   2.447
  135   HD21  LEU  19          HD21      LEU  19   0.692  14.206   4.446
  136   HD22  LEU  19          HD22      LEU  19   0.939  15.556   3.340
  137   HD23  LEU  19          HD23      LEU  19   1.365  13.919   2.837
  138    H    ARG  20           HN       ARG  20  -1.506  13.739  -1.477
  139    HA   ARG  20           HA       ARG  20  -2.179  11.053  -0.892
  140    HB2  ARG  20           HB2      ARG  20  -2.462  12.440  -3.590
  141    HB3  ARG  20           HB1      ARG  20  -3.403  11.075  -2.993
  142    HG2  ARG  20           HG2      ARG  20  -3.490  13.929  -1.953
  143    HG3  ARG  20           HG1      ARG  20  -4.730  13.109  -2.897
  144    HD2  ARG  20           HD2      ARG  20  -5.013  11.486  -1.012
  145    HD3  ARG  20           HD1      ARG  20  -3.868  12.439  -0.064
  146    HE   ARG  20           HE       ARG  20  -5.611  14.323  -0.610
  147   HH11  ARG  20          HH11      ARG  20  -6.321  10.992   0.271
  148   HH12  ARG  20          HH12      ARG  20  -7.820  11.394   1.039
  149   HH21  ARG  20          HH21      ARG  20  -7.588  14.816   0.407
  150   HH22  ARG  20          HH22      ARG  20  -8.547  13.549   1.104
  151    H    GLU  21           HN       GLU  21   0.064  12.452  -3.249
  152    HA   GLU  21           HA       GLU  21   1.002  10.049  -4.391
  153    HB2  GLU  21           HB2      GLU  21   1.243  12.300  -5.463
  154    HB3  GLU  21           HB1      GLU  21   2.388  12.755  -4.204
  155    HG2  GLU  21           HG2      GLU  21   3.906  10.930  -4.967
  156    HG3  GLU  21           HG1      GLU  21   2.774  10.563  -6.266
  157    H    HIS  22           HN       HIS  22   2.216  12.128  -1.784
  158    HA   HIS  22           HA       HIS  22   4.556  10.719  -1.133
  159    HB2  HIS  22           HB2      HIS  22   4.336  12.964  -0.296
  160    HB3  HIS  22           HB1      HIS  22   2.802  12.610   0.488
  161    HD1  HIS  22           HD1      HIS  22   6.512  11.768   0.876
  162    HD2  HIS  22           HD2      HIS  22   2.993  11.852   3.076
  163    HE1  HIS  22           HE1      HIS  22   7.131  11.112   3.237
  164    H    LEU  23           HN       LEU  23   1.206  10.082  -0.304
  165    HA   LEU  23           HA       LEU  23   1.573   8.710   2.133
  166    HB2  LEU  23           HB2      LEU  23  -0.576   9.731   1.123
  167    HB3  LEU  23           HB1      LEU  23  -0.727   8.231   0.223
  168    HG   LEU  23           HG       LEU  23  -0.675   7.007   2.464
  169   HD11  LEU  23          HD11      LEU  23  -1.049   9.804   3.578
  170   HD12  LEU  23          HD12      LEU  23   0.350   8.759   3.831
  171   HD13  LEU  23          HD13      LEU  23  -1.216   8.300   4.496
  172   HD21  LEU  23          HD21      LEU  23  -2.983   8.931   2.002
  173   HD22  LEU  23          HD22      LEU  23  -3.041   7.471   2.991
  174   HD23  LEU  23          HD23      LEU  23  -2.794   7.344   1.251
  175    H    GLN  24           HN       GLN  24   2.019   7.725  -1.158
  176    HA   GLN  24           HA       GLN  24   1.490   4.962  -1.051
  177    HB2  GLN  24           HB2      GLN  24   3.245   6.608  -2.886
  178    HB3  GLN  24           HB1      GLN  24   2.831   4.921  -3.167
  179    HG2  GLN  24           HG2      GLN  24   0.842   7.197  -2.986
  180    HG3  GLN  24           HG1      GLN  24   1.458   6.485  -4.466
  181   HE21  GLN  24          HE21      GLN  24   0.849   4.343  -5.016
  182   HE22  GLN  24          HE22      GLN  24  -0.569   3.616  -4.352
  183    H    THR  25           HN       THR  25   4.167   6.814   0.041
  184    HA   THR  25           HA       THR  25   6.268   4.891  -0.114
  185    HB   THR  25           HB       THR  25   7.510   6.427   1.378
  186    HG1  THR  25           HG1      THR  25   5.725   8.430   1.578
  187   HG21  THR  25          HG21      THR  25   5.912   7.940  -0.710
  188   HG22  THR  25          HG22      THR  25   7.394   7.031  -1.010
  189   HG23  THR  25          HG23      THR  25   7.436   8.478   0.001
  190    H    HIS  26           HN       HIS  26   3.525   4.934   1.854
  191    HA   HIS  26           HA       HIS  26   4.807   3.338   4.014
  192    HB2  HIS  26           HB2      HIS  26   2.331   5.084   4.344
  193    HB3  HIS  26           HB1      HIS  26   3.222   4.257   5.620
  194    HD1  HIS  26           HD1      HIS  26   5.735   5.252   6.053
  195    HD2  HIS  26           HD2      HIS  26   3.117   7.624   3.873
  196    HE1  HIS  26           HE1      HIS  26   6.698   7.582   6.081
  197    H    ARG  27           HN       ARG  27   2.347   3.501   1.588
  198    HA   ARG  27           HA       ARG  27   0.874   1.172   2.719
  199    HB2  ARG  27           HB2      ARG  27  -1.127   2.023   1.515
  200    HB3  ARG  27           HB1      ARG  27  -0.519   3.187   2.688
  201    HG2  ARG  27           HG2      ARG  27   0.540   4.475   0.883
  202    HG3  ARG  27           HG1      ARG  27  -0.020   3.301  -0.306
  203    HD2  ARG  27           HD2      ARG  27  -1.896   4.881   1.475
  204    HD3  ARG  27           HD1      ARG  27  -1.385   5.432  -0.121
  205    HE   ARG  27           HE       ARG  27  -2.351   3.135  -0.845
  206   HH11  ARG  27          HH11      ARG  27  -3.744   5.136   1.684
  207   HH12  ARG  27          HH12      ARG  27  -5.375   4.717   1.271
  208   HH21  ARG  27          HH21      ARG  27  -4.491   2.634  -1.386
  209   HH22  ARG  27          HH22      ARG  27  -5.800   3.295  -0.451
  210    H    GLY  28           HN       GLY  28   3.185   1.628   0.531
  211    HA2  GLY  28           HA2      GLY  28   2.046   0.153  -1.724
  212    HA3  GLY  28           HA1      GLY  28   3.688   0.751  -1.562
  213    HA   PRO  29           HA       PRO  29   3.676  -3.946  -0.892
  214    HB2  PRO  29           HB2      PRO  29   5.859  -3.767  -2.940
  215    HB3  PRO  29           HB1      PRO  29   4.530  -4.929  -2.823
  216    HG2  PRO  29           HG2      PRO  29   4.493  -3.008  -4.686
  217    HG3  PRO  29           HG1      PRO  29   3.002  -3.483  -3.842
  218    HD2  PRO  29           HD2      PRO  29   4.762  -1.075  -3.353
  219    HD3  PRO  29           HD1      PRO  29   2.987  -1.177  -3.412
  220    H    ALA  30           HN       ALA  30   4.783  -4.414   0.901
  221    HA   ALA  30           HA       ALA  30   7.273  -3.070   1.644
  222    HB1  ALA  30           HB1      ALA  30   5.519  -3.301   3.359
  223    HB2  ALA  30           HB2      ALA  30   6.966  -4.191   3.832
  224    HB3  ALA  30           HB3      ALA  30   5.566  -5.059   3.190
  225    H    LYS  31           HN       LYS  31   9.199  -3.955   1.233
  226    HA   LYS  31           HA       LYS  31   9.901  -6.031  -0.268
  227    HB2  LYS  31           HB2      LYS  31  11.472  -5.076   2.156
  228    HB3  LYS  31           HB1      LYS  31  12.143  -5.943   0.781
  229    HG2  LYS  31           HG2      LYS  31  11.588  -4.058  -0.707
  230    HG3  LYS  31           HG1      LYS  31  10.888  -3.182   0.661
  231    HD2  LYS  31           HD2      LYS  31  13.804  -4.024   0.367
  232    HD3  LYS  31           HD1      LYS  31  13.175  -2.383   0.174
  233    HE2  LYS  31           HE2      LYS  31  12.529  -2.324   2.531
  234    HE3  LYS  31           HE1      LYS  31  13.054  -3.993   2.759
  235    HZ1  LYS  31           HZ1      LYS  31  15.311  -3.284   2.180
  236    HZ2  LYS  31           HZ2      LYS  31  14.718  -2.497   3.554
  237    HZ3  LYS  31           HZ3      LYS  31  14.778  -1.680   2.077
  238    H    HIS  32           HN       HIS  32   8.545  -7.844   0.160
  239    HA   HIS  32           HA       HIS  32   8.944  -9.551   2.455
  240    HB2  HIS  32           HB2      HIS  32   7.606 -10.067  -0.243
  241    HB3  HIS  32           HB1      HIS  32   7.540 -11.174   1.130
  242    HD1  HIS  32           HD1      HIS  32   5.403  -8.928  -0.448
  243    HD2  HIS  32           HD2      HIS  32   6.486  -9.426   3.535
  244    HE1  HIS  32           HE1      HIS  32   3.569  -7.869   0.890
  245    HE2  HIS  32           HE2      HIS  32   4.239  -8.174   3.288
  246    H    TYR  33           HN       TYR  33   9.379 -12.031   1.716
  247    HA   TYR  33           HA       TYR  33  11.690 -12.251  -0.037
  248    HB2  TYR  33           HB2      TYR  33  12.801 -13.642   2.024
  249    HB3  TYR  33           HB1      TYR  33  13.133 -11.939   1.743
  250    HD1  TYR  33           HD1      TYR  33  10.677 -14.093   3.653
  251    HD2  TYR  33           HD2      TYR  33  12.929 -10.458   3.576
  252    HE1  TYR  33           HE1      TYR  33   9.862 -13.537   5.905
  253    HE2  TYR  33           HE2      TYR  33  12.115  -9.915   5.830
  254    HH   TYR  33           HH       TYR  33  10.175 -10.467   7.277
  255    H    MET  34           HN       MET  34  10.293 -13.441  -1.270
  256    HA   MET  34           HA       MET  34   9.593 -16.164  -0.329
  257    HB2  MET  34           HB2      MET  34   7.523 -14.749  -0.394
  258    HB3  MET  34           HB1      MET  34   7.864 -14.331  -2.066
  259    HG2  MET  34           HG2      MET  34   7.642 -16.771  -2.653
  260    HG3  MET  34           HG1      MET  34   7.125 -17.067  -0.993
  261    HE1  MET  34           HE1      MET  34   4.726 -14.560  -4.059
  262    HE2  MET  34           HE2      MET  34   6.213 -15.428  -4.455
  263    HE3  MET  34           HE3      MET  34   6.267 -14.017  -3.399
  264    H    CYS  35           HN       CYS  35  10.693 -17.575  -1.578
  265    HA   CYS  35           HA       CYS  35  12.451 -16.854  -3.596
  266    HB2  CYS  35           HB2      CYS  35  12.665 -18.891  -2.278
  267    HB3  CYS  35           HB1      CYS  35  11.212 -19.541  -2.965
  268    HA   PRO  36           HA       PRO  36   9.724 -16.536  -7.218
  269    HB2  PRO  36           HB2      PRO  36  11.672 -16.696  -9.202
  270    HB3  PRO  36           HB1      PRO  36  11.346 -15.230  -8.267
  271    HG2  PRO  36           HG2      PRO  36  13.478 -17.328  -7.812
  272    HG3  PRO  36           HG1      PRO  36  13.630 -15.554  -7.806
  273    HD2  PRO  36           HD2      PRO  36  13.449 -16.934  -5.502
  274    HD3  PRO  36           HD1      PRO  36  12.662 -15.349  -5.675
  275    H    ILE  37           HN       ILE  37  12.175 -19.144  -7.003
  276    HA   ILE  37           HA       ILE  37  10.959 -20.704  -9.103
  277    HB   ILE  37           HB       ILE  37  13.254 -21.412  -7.222
  278   HG12  ILE  37          HG12      ILE  37  13.420 -20.134 -10.000
  279   HG13  ILE  37          HG11      ILE  37  13.669 -19.263  -8.493
  280   HG21  ILE  37          HG21      ILE  37  12.314 -23.358  -8.403
  281   HG22  ILE  37          HG22      ILE  37  13.933 -22.994  -8.984
  282   HG23  ILE  37          HG23      ILE  37  12.531 -22.540  -9.953
  283   HD11  ILE  37          HD11      ILE  37  15.387 -21.493  -9.579
  284   HD12  ILE  37          HD12      ILE  37  15.634 -20.670  -8.038
  285   HD13  ILE  37          HD13      ILE  37  15.772 -19.771  -9.546
  286    H    CYS  38           HN       CYS  38  11.634 -21.350  -5.598
  287    HA   CYS  38           HA       CYS  38   9.453 -23.355  -5.622
  288    HB2  CYS  38           HB2      CYS  38  10.741 -24.759  -4.231
  289    HB3  CYS  38           HB1      CYS  38  11.848 -24.194  -5.462
  290    H    GLY  39           HN       GLY  39  10.051 -20.354  -4.325
  291    HA2  GLY  39           HA2      GLY  39   8.916 -19.112  -2.872
  292    HA3  GLY  39           HA1      GLY  39   7.692 -20.370  -2.856
  293    H    GLU  40           HN       GLU  40  10.909 -21.111  -1.710
  294    HA   GLU  40           HA       GLU  40  10.262 -21.463   0.979
  295    HB2  GLU  40           HB2      GLU  40  12.964 -20.888  -0.297
  296    HB3  GLU  40           HB1      GLU  40  12.732 -21.451   1.357
  297    HG2  GLU  40           HG2      GLU  40  11.971 -22.947  -1.158
  298    HG3  GLU  40           HG1      GLU  40  13.357 -23.279  -0.132
  299    H    ARG  41           HN       ARG  41  10.611 -20.269   2.790
  300    HA   ARG  41           HA       ARG  41  10.791 -17.328   2.528
  301    HB2  ARG  41           HB2      ARG  41   9.680 -17.287   4.737
  302    HB3  ARG  41           HB1      ARG  41   8.743 -18.232   3.584
  303    HG2  ARG  41           HG2      ARG  41  10.041 -20.284   4.663
  304    HG3  ARG  41           HG1      ARG  41  10.297 -19.165   6.001
  305    HD2  ARG  41           HD2      ARG  41   8.318 -20.548   6.411
  306    HD3  ARG  41           HD1      ARG  41   7.839 -18.859   6.195
  307    HE   ARG  41           HE       ARG  41   7.096 -19.401   3.957
  308   HH11  ARG  41          HH11      ARG  41   7.689 -22.218   5.979
  309   HH12  ARG  41          HH12      ARG  41   6.696 -23.254   5.009
  310   HH21  ARG  41          HH21      ARG  41   5.825 -20.785   2.710
  311   HH22  ARG  41          HH22      ARG  41   5.656 -22.453   3.159
  312    H    PHE  42           HN       PHE  42  12.440 -16.232   3.550
  313    HA   PHE  42           HA       PHE  42  14.281 -17.701   5.355
  314    HB2  PHE  42           HB2      PHE  42  14.950 -16.072   2.879
  315    HB3  PHE  42           HB1      PHE  42  16.098 -16.134   4.205
  316    HD1  PHE  42           HD1      PHE  42  14.281 -18.282   1.749
  317    HD2  PHE  42           HD2      PHE  42  17.457 -18.064   4.599
  318    HE1  PHE  42           HE1      PHE  42  15.099 -20.478   1.018
  319    HE2  PHE  42           HE2      PHE  42  18.271 -20.258   3.850
  320    HZ   PHE  42           HZ       PHE  42  17.091 -21.472   2.066
  321    HA   PRO  43           HA       PRO  43  13.804 -14.502   8.312
  322    HB2  PRO  43           HB2      PRO  43  16.344 -14.093   9.337
  323    HB3  PRO  43           HB1      PRO  43  15.368 -15.531   9.680
  324    HG2  PRO  43           HG2      PRO  43  17.528 -15.166   7.599
  325    HG3  PRO  43           HG1      PRO  43  17.310 -16.490   8.767
  326    HD2  PRO  43           HD2      PRO  43  16.519 -16.775   6.226
  327    HD3  PRO  43           HD1      PRO  43  15.536 -17.440   7.552
  328    H    SER  44           HN       SER  44  15.854 -13.815   5.605
  329    HA   SER  44           HA       SER  44  15.327 -10.952   5.866
  330    HB2  SER  44           HB2      SER  44  17.729 -10.334   5.499
  331    HB3  SER  44           HB1      SER  44  17.477 -11.151   7.032
  332    HG   SER  44           HG       SER  44  19.209 -12.153   6.179
  333    H    LEU  45           HN       LEU  45  16.054  -9.760   3.983
  334    HA   LEU  45           HA       LEU  45  15.669 -11.193   1.441
  335    HB2  LEU  45           HB2      LEU  45  14.560  -8.877   2.327
  336    HB3  LEU  45           HB1      LEU  45  16.019  -8.191   1.646
  337    HG   LEU  45           HG       LEU  45  13.882  -9.747   0.131
  338   HD11  LEU  45          HD11      LEU  45  13.185  -7.482   0.760
  339   HD12  LEU  45          HD12      LEU  45  13.393  -7.627  -0.982
  340   HD13  LEU  45          HD13      LEU  45  14.625  -6.811  -0.013
  341   HD21  LEU  45          HD21      LEU  45  15.080  -9.178  -1.932
  342   HD22  LEU  45          HD22      LEU  45  16.073 -10.184  -0.878
  343   HD23  LEU  45          HD23      LEU  45  16.384  -8.451  -0.987
  344    H    LEU  46           HN       LEU  46  17.891 -11.994   2.534
  345    HA   LEU  46           HA       LEU  46  20.134 -10.937   1.010
  346    HB2  LEU  46           HB2      LEU  46  20.189 -11.169   4.062
  347    HB3  LEU  46           HB1      LEU  46  21.633 -11.036   3.073
  348    HG   LEU  46           HG       LEU  46  19.488  -8.888   3.348
  349   HD11  LEU  46          HD11      LEU  46  22.294  -9.005   4.494
  350   HD12  LEU  46          HD12      LEU  46  20.783  -9.086   5.402
  351   HD13  LEU  46          HD13      LEU  46  21.224  -7.603   4.559
  352   HD21  LEU  46          HD21      LEU  46  20.510  -8.780   1.121
  353   HD22  LEU  46          HD22      LEU  46  22.126  -8.811   1.827
  354   HD23  LEU  46          HD23      LEU  46  21.068  -7.429   2.107
  355    H    THR  47           HN       THR  47  19.153 -13.148   3.628
  356    HA   THR  47           HA       THR  47  20.592 -15.424   2.797
  357    HB   THR  47           HB       THR  47  18.734 -16.663   4.162
  358    HG1  THR  47           HG1      THR  47  18.061 -14.297   5.392
  359   HG21  THR  47          HG21      THR  47  20.342 -14.479   5.535
  360   HG22  THR  47          HG22      THR  47  20.940 -16.090   5.126
  361   HG23  THR  47          HG23      THR  47  19.646 -15.904   6.313
  362    H    LEU  48           HN       LEU  48  17.347 -14.257   1.901
  363    HA   LEU  48           HA       LEU  48  16.594 -16.477   0.295
  364    HB2  LEU  48           HB2      LEU  48  15.118 -14.628   1.286
  365    HB3  LEU  48           HB1      LEU  48  15.640 -13.599  -0.024
  366    HG   LEU  48           HG       LEU  48  13.317 -14.717  -0.216
  367   HD11  LEU  48          HD11      LEU  48  14.302 -13.602  -2.131
  368   HD12  LEU  48          HD12      LEU  48  13.439 -15.052  -2.640
  369   HD13  LEU  48          HD13      LEU  48  15.205 -15.056  -2.557
  370   HD21  LEU  48          HD21      LEU  48  14.954 -17.168  -0.938
  371   HD22  LEU  48          HD22      LEU  48  13.204 -16.997  -1.104
  372   HD23  LEU  48          HD23      LEU  48  13.942 -16.977   0.495
  373    H    THR  49           HN       THR  49  18.579 -13.651  -0.347
  374    HA   THR  49           HA       THR  49  18.798 -13.856  -3.177
  375    HB   THR  49           HB       THR  49  20.809 -12.666  -1.207
  376    HG1  THR  49           HG1      THR  49  19.637 -10.687  -1.704
  377   HG21  THR  49          HG21      THR  49  20.336 -12.026  -4.144
  378   HG22  THR  49          HG22      THR  49  21.727 -12.893  -3.493
  379   HG23  THR  49          HG23      THR  49  21.473 -11.199  -3.076
  380    H    GLU  50           HN       GLU  50  20.793 -15.029  -0.496
  381    HA   GLU  50           HA       GLU  50  22.843 -16.344  -1.903
  382    HB2  GLU  50           HB2      GLU  50  21.667 -17.163   0.791
  383    HB3  GLU  50           HB1      GLU  50  23.243 -17.641   0.165
  384    HG2  GLU  50           HG2      GLU  50  23.954 -15.263   0.223
  385    HG3  GLU  50           HG1      GLU  50  22.393 -14.826   0.902
  386    H    HIS  51           HN       HIS  51  19.782 -17.595  -0.645
  387    HA   HIS  51           HA       HIS  51  19.916 -20.261  -1.453
  388    HB2  HIS  51           HB2      HIS  51  18.274 -19.587   0.151
  389    HB3  HIS  51           HB1      HIS  51  17.604 -18.367  -0.923
  390    HD1  HIS  51           HD1      HIS  51  17.715 -22.169  -0.568
  391    HD2  HIS  51           HD2      HIS  51  15.489 -19.182  -2.396
  392    HE1  HIS  51           HE1      HIS  51  15.714 -23.309  -1.605
  393    H    LYS  52           HN       LYS  52  18.786 -17.414  -3.198
  394    HA   LYS  52           HA       LYS  52  17.434 -18.638  -5.323
  395    HB2  LYS  52           HB2      LYS  52  17.280 -16.216  -4.669
  396    HB3  LYS  52           HB1      LYS  52  18.877 -15.958  -5.357
  397    HG2  LYS  52           HG2      LYS  52  17.974 -16.689  -7.589
  398    HG3  LYS  52           HG1      LYS  52  16.370 -16.773  -6.861
  399    HD2  LYS  52           HD2      LYS  52  18.089 -14.262  -7.097
  400    HD3  LYS  52           HD1      LYS  52  16.729 -14.668  -8.139
  401    HE2  LYS  52           HE2      LYS  52  15.848 -13.101  -6.637
  402    HE3  LYS  52           HE1      LYS  52  15.303 -14.637  -5.976
  403    HZ1  LYS  52           HZ1      LYS  52  17.669 -13.110  -5.030
  404    HZ2  LYS  52           HZ2      LYS  52  17.048 -14.516  -4.327
  405    HZ3  LYS  52           HZ3      LYS  52  16.146 -13.084  -4.298
  406    H    VAL  53           HN       VAL  53  20.849 -17.617  -5.087
  407    HA   VAL  53           HA       VAL  53  21.386 -18.196  -7.853
  408    HB   VAL  53           HB       VAL  53  23.662 -17.431  -7.392
  409   HG11  VAL  53          HG11      VAL  53  21.596 -15.625  -6.079
  410   HG12  VAL  53          HG12      VAL  53  21.945 -15.709  -7.806
  411   HG13  VAL  53          HG13      VAL  53  23.169 -15.104  -6.690
  412   HG21  VAL  53          HG21      VAL  53  24.357 -16.632  -5.137
  413   HG22  VAL  53          HG22      VAL  53  24.049 -18.369  -5.152
  414   HG23  VAL  53          HG23      VAL  53  22.855 -17.269  -4.464
  415    H    THR  54           HN       THR  54  22.114 -19.765  -4.751
  416    HA   THR  54           HA       THR  54  23.610 -21.947  -6.052
  417    HB   THR  54           HB       THR  54  24.028 -22.703  -3.643
  418    HG1  THR  54           HG1      THR  54  23.249 -20.117  -2.833
  419   HG21  THR  54          HG21      THR  54  25.741 -21.425  -4.864
  420   HG22  THR  54          HG22      THR  54  25.713 -20.965  -3.160
  421   HG23  THR  54          HG23      THR  54  24.979 -19.910  -4.372
  422    H    HIS  55           HN       HIS  55  20.995 -22.006  -6.833
  423    HA   HIS  55           HA       HIS  55  19.164 -23.001  -4.879
  424    HB2  HIS  55           HB2      HIS  55  18.731 -21.527  -7.043
  425    HB3  HIS  55           HB1      HIS  55  18.609 -23.082  -7.862
  426    HD1  HIS  55           HD1      HIS  55  16.540 -24.623  -7.105
  427    HD2  HIS  55           HD2      HIS  55  16.676 -20.820  -5.465
  428    HE1  HIS  55           HE1      HIS  55  14.286 -24.242  -6.008
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  -7.467  28.579   5.446
    2    H2   MET   1           HT2      MET   1  -8.542  27.578   4.610
    3    H3   MET   1           HT3      MET   1  -6.993  27.847   3.999
    4    HA   MET   1           HA       MET   1  -5.991  26.714   5.833
    5    HB2  MET   1           HB2      MET   1  -8.867  26.260   6.759
    6    HB3  MET   1           HB1      MET   1  -7.467  25.443   7.446
    7    HG2  MET   1           HG2      MET   1  -8.124  27.242   8.904
    8    HG3  MET   1           HG1      MET   1  -6.575  27.647   8.168
    9    HE1  MET   1           HE1      MET   1  -8.476  29.760   9.665
   10    HE2  MET   1           HE2      MET   1  -8.398  31.134   8.564
   11    HE3  MET   1           HE3      MET   1  -6.936  30.231   8.938
   12    H    GLY   2           HN       GLY   2  -6.357  24.150   6.243
   13    HA2  GLY   2           HA2      GLY   2  -7.312  22.113   5.411
   14    HA3  GLY   2           HA1      GLY   2  -7.599  22.887   3.862
   15    H    SER   3           HN       SER   3  -5.276  21.245   5.866
   16    HA   SER   3           HA       SER   3  -3.675  20.691   3.460
   17    HB2  SER   3           HB2      SER   3  -2.464  21.412   6.176
   18    HB3  SER   3           HB1      SER   3  -1.564  20.875   4.758
   19    HG   SER   3           HG       SER   3  -2.920  22.882   3.880
   20    H    HIS   4           HN       HIS   4  -4.656  18.727   3.390
   21    HA   HIS   4           HA       HIS   4  -4.765  16.680   5.195
   22    HB2  HIS   4           HB2      HIS   4  -4.036  16.507   2.257
   23    HB3  HIS   4           HB1      HIS   4  -4.087  15.047   3.244
   24    HD1  HIS   4           HD1      HIS   4  -6.157  16.406   0.880
   25    HD2  HIS   4           HD2      HIS   4  -6.824  15.440   4.865
   26    HE1  HIS   4           HE1      HIS   4  -8.633  16.133   1.101
   27    HE2  HIS   4           HE2      HIS   4  -9.022  15.695   3.540
   28    H    LYS   5           HN       LYS   5  -3.477  15.535   6.385
   29    HA   LYS   5           HA       LYS   5  -0.566  16.048   6.392
   30    HB2  LYS   5           HB2      LYS   5  -1.849  16.879   8.342
   31    HB3  LYS   5           HB1      LYS   5  -2.510  15.274   8.616
   32    HG2  LYS   5           HG2      LYS   5  -0.158  14.466   9.057
   33    HG3  LYS   5           HG1      LYS   5   0.372  16.144   8.956
   34    HD2  LYS   5           HD2      LYS   5  -1.657  15.084  10.970
   35    HD3  LYS   5           HD1      LYS   5   0.061  15.298  11.302
   36    HE2  LYS   5           HE2      LYS   5  -0.975  17.206  12.228
   37    HE3  LYS   5           HE1      LYS   5  -0.295  17.775  10.709
   38    HZ1  LYS   5           HZ1      LYS   5  -3.132  16.988  11.083
   39    HZ2  LYS   5           HZ2      LYS   5  -2.454  17.712   9.716
   40    HZ3  LYS   5           HZ3      LYS   5  -2.554  18.573  11.159
   41    H    CYS   6           HN       CYS   6   0.877  14.319   6.659
   42    HA   CYS   6           HA       CYS   6   0.004  11.604   6.103
   43    HB2  CYS   6           HB2      CYS   6   2.142  12.549   5.186
   44    HB3  CYS   6           HB1      CYS   6   2.764  12.697   6.815
   45    H    ASN   7           HN       ASN   7  -1.026  10.658   7.859
   46    HA   ASN   7           HA       ASN   7  -0.679  11.161  10.565
   47    HB2  ASN   7           HB2      ASN   7  -2.596   9.904   9.642
   48    HB3  ASN   7           HB1      ASN   7  -1.542   8.552   9.238
   49   HD21  ASN   7          HD21      ASN   7  -2.787   7.113  10.512
   50   HD22  ASN   7          HD22      ASN   7  -2.747   7.146  12.239
   51    H    VAL   8           HN       VAL   8   1.064   8.844   8.520
   52    HA   VAL   8           HA       VAL   8   2.447   7.388  10.467
   53    HB   VAL   8           HB       VAL   8   3.404   8.069   7.648
   54   HG11  VAL   8          HG11      VAL   8   5.207   7.132   9.029
   55   HG12  VAL   8          HG12      VAL   8   4.710   5.971   7.801
   56   HG13  VAL   8          HG13      VAL   8   4.191   5.757   9.475
   57   HG21  VAL   8          HG21      VAL   8   1.724   5.700   8.561
   58   HG22  VAL   8          HG22      VAL   8   2.352   5.946   6.926
   59   HG23  VAL   8          HG23      VAL   8   1.166   7.066   7.599
   60    H    CYS   9           HN       CYS   9   3.707  10.087   8.511
   61    HA   CYS   9           HA       CYS   9   6.055  10.533  10.075
   62    HB2  CYS   9           HB2      CYS   9   4.613  12.297   8.069
   63    HB3  CYS   9           HB1      CYS   9   6.158  12.711   8.794
   64    H    SER  10           HN       SER  10   2.839  11.641  10.348
   65    HA   SER  10           HA       SER  10   1.607  13.034  11.562
   66    HB2  SER  10           HB2      SER  10   2.230  13.794  13.783
   67    HB3  SER  10           HB1      SER  10   2.756  12.124  13.582
   68    HG   SER  10           HG       SER  10   4.802  12.734  13.668
   69    H    ARG  11           HN       ARG  11   4.078  13.976   9.745
   70    HA   ARG  11           HA       ARG  11   3.677  16.874  10.007
   71    HB2  ARG  11           HB2      ARG  11   5.603  15.351   8.180
   72    HB3  ARG  11           HB1      ARG  11   5.594  17.089   8.486
   73    HG2  ARG  11           HG2      ARG  11   6.222  14.928  10.531
   74    HG3  ARG  11           HG1      ARG  11   7.409  15.942   9.701
   75    HD2  ARG  11           HD2      ARG  11   5.224  17.008  11.532
   76    HD3  ARG  11           HD1      ARG  11   6.877  16.666  12.046
   77    HE   ARG  11           HE       ARG  11   7.127  18.356   9.908
   78   HH11  ARG  11          HH11      ARG  11   5.433  18.616  12.978
   79   HH12  ARG  11          HH12      ARG  11   5.771  20.307  13.135
   80   HH21  ARG  11          HH21      ARG  11   7.548  20.567  10.160
   81   HH22  ARG  11          HH22      ARG  11   6.956  21.399  11.564
   82    H    THR  12           HN       THR  12   3.494  18.044   7.880
   83    HA   THR  12           HA       THR  12   1.477  16.729   6.127
   84    HB   THR  12           HB       THR  12   0.433  18.380   7.719
   85    HG1  THR  12           HG1      THR  12   0.311  19.246   5.003
   86   HG21  THR  12          HG21      THR  12   2.263  20.032   7.892
   87   HG22  THR  12          HG22      THR  12   0.770  20.807   7.365
   88   HG23  THR  12          HG23      THR  12   2.041  20.462   6.192
   89    H    PHE  13           HN       PHE  13   1.468  17.393   3.948
   90    HA   PHE  13           HA       PHE  13   3.928  18.573   2.871
   91    HB2  PHE  13           HB2      PHE  13   2.609  16.529   1.861
   92    HB3  PHE  13           HB1      PHE  13   1.478  17.721   1.260
   93    HD1  PHE  13           HD2      PHE  13   4.950  16.450   0.980
   94    HD2  PHE  13           HD1      PHE  13   2.046  19.108  -0.680
   95    HE1  PHE  13           HE2      PHE  13   6.354  16.743  -1.019
   96    HE2  PHE  13           HE1      PHE  13   3.459  19.398  -2.670
   97    HZ   PHE  13           HZ       PHE  13   5.610  18.218  -2.844
   98    H    PHE  14           HN       PHE  14   3.681  20.440   1.260
   99    HA   PHE  14           HA       PHE  14   2.296  22.633   2.406
  100    HB2  PHE  14           HB2      PHE  14   4.405  22.827   1.078
  101    HB3  PHE  14           HB1      PHE  14   3.534  22.360  -0.377
  102    HD1  PHE  14           HD1      PHE  14   3.660  24.988   2.289
  103    HD2  PHE  14           HD2      PHE  14   2.494  24.037  -1.714
  104    HE1  PHE  14           HE1      PHE  14   3.113  27.350   1.880
  105    HE2  PHE  14           HE2      PHE  14   1.954  26.402  -2.115
  106    HZ   PHE  14           HZ       PHE  14   2.263  28.060  -0.317
  107    H    SER  15           HN       SER  15   1.500  20.355  -0.094
  108    HA   SER  15           HA       SER  15  -1.197  21.514  -0.475
  109    HB2  SER  15           HB2      SER  15   0.358  21.827  -2.469
  110    HB3  SER  15           HB1      SER  15   0.454  20.072  -2.603
  111    HG   SER  15           HG       SER  15  -1.720  21.787  -3.072
  112    H    GLU  16           HN       GLU  16  -2.744  19.693  -1.342
  113    HA   GLU  16           HA       GLU  16  -2.523  17.629   0.741
  114    HB2  GLU  16           HB2      GLU  16  -4.931  17.311   0.467
  115    HB3  GLU  16           HB1      GLU  16  -4.538  18.992   0.788
  116    HG2  GLU  16           HG2      GLU  16  -4.838  19.508  -1.623
  117    HG3  GLU  16           HG1      GLU  16  -5.282  17.823  -1.911
  118    H    ASN  17           HN       ASN  17  -2.589  17.903  -2.767
  119    HA   ASN  17           HA       ASN  17  -3.131  15.089  -3.289
  120    HB2  ASN  17           HB2      ASN  17  -2.251  17.399  -5.079
  121    HB3  ASN  17           HB1      ASN  17  -2.353  15.747  -5.680
  122   HD21  ASN  17          HD21      ASN  17  -3.933  16.384  -7.191
  123   HD22  ASN  17          HD22      ASN  17  -5.563  16.718  -6.723
  124    H    GLY  18           HN       GLY  18  -0.380  17.272  -3.355
  125    HA2  GLY  18           HA2      GLY  18   1.772  15.609  -3.870
  126    HA3  GLY  18           HA1      GLY  18   1.838  16.991  -2.787
  127    H    LEU  19           HN       LEU  19   0.141  16.136  -0.750
  128    HA   LEU  19           HA       LEU  19   1.696  14.380   0.811
  129    HB2  LEU  19           HB2      LEU  19   0.020  16.150   1.599
  130    HB3  LEU  19           HB1      LEU  19  -1.246  15.002   1.269
  131    HG   LEU  19           HG       LEU  19  -0.546  15.192   3.702
  132   HD11  LEU  19          HD11      LEU  19  -0.291  12.397   2.585
  133   HD12  LEU  19          HD12      LEU  19  -1.795  13.229   2.969
  134   HD13  LEU  19          HD13      LEU  19  -0.662  12.833   4.257
  135   HD21  LEU  19          HD21      LEU  19   1.866  15.466   3.365
  136   HD22  LEU  19          HD22      LEU  19   1.988  13.788   2.815
  137   HD23  LEU  19          HD23      LEU  19   1.499  14.147   4.471
  138    H    ARG  20           HN       ARG  20  -1.346  13.874  -0.961
  139    HA   ARG  20           HA       ARG  20  -1.952  11.265  -0.158
  140    HB2  ARG  20           HB2      ARG  20  -2.565  12.776  -2.719
  141    HB3  ARG  20           HB1      ARG  20  -3.208  11.162  -2.425
  142    HG2  ARG  20           HG2      ARG  20  -3.662  13.511  -0.557
  143    HG3  ARG  20           HG1      ARG  20  -4.766  13.067  -1.851
  144    HD2  ARG  20           HD2      ARG  20  -5.118  10.858  -0.825
  145    HD3  ARG  20           HD1      ARG  20  -3.951  11.247   0.439
  146    HE   ARG  20           HE       ARG  20  -5.541  12.450   1.527
  147   HH11  ARG  20          HH11      ARG  20  -6.723  12.017  -1.763
  148   HH12  ARG  20          HH12      ARG  20  -8.332  12.527  -1.371
  149   HH21  ARG  20          HH21      ARG  20  -7.656  13.083   2.019
  150   HH22  ARG  20          HH22      ARG  20  -8.855  13.134   0.764
  151    H    GLU  21           HN       GLU  21   0.057  12.295  -2.893
  152    HA   GLU  21           HA       GLU  21   0.734   9.712  -3.810
  153    HB2  GLU  21           HB2      GLU  21   0.967  11.921  -5.070
  154    HB3  GLU  21           HB1      GLU  21   2.413  12.225  -4.111
  155    HG2  GLU  21           HG2      GLU  21   3.448  10.181  -5.041
  156    HG3  GLU  21           HG1      GLU  21   2.001   9.887  -6.004
  157    H    HIS  22           HN       HIS  22   2.257  11.942  -1.527
  158    HA   HIS  22           HA       HIS  22   4.517  10.393  -0.788
  159    HB2  HIS  22           HB2      HIS  22   4.548  12.744  -0.250
  160    HB3  HIS  22           HB1      HIS  22   3.033  12.639   0.637
  161    HD1  HIS  22           HD1      HIS  22   6.691  11.694   0.976
  162    HD2  HIS  22           HD2      HIS  22   3.243  11.957   3.268
  163    HE1  HIS  22           HE1      HIS  22   7.379  11.198   3.358
  164    H    LEU  23           HN       LEU  23   1.162  10.126   0.092
  165    HA   LEU  23           HA       LEU  23   1.458   8.778   2.605
  166    HB2  LEU  23           HB2      LEU  23  -0.530  10.186   1.597
  167    HB3  LEU  23           HB1      LEU  23  -0.996   8.692   0.817
  168    HG   LEU  23           HG       LEU  23  -0.762   9.030   3.831
  169   HD11  LEU  23          HD11      LEU  23  -3.257   9.192   2.110
  170   HD12  LEU  23          HD12      LEU  23  -2.477  10.536   2.941
  171   HD13  LEU  23          HD13      LEU  23  -3.211   9.234   3.878
  172   HD21  LEU  23          HD21      LEU  23  -2.143   6.979   3.956
  173   HD22  LEU  23          HD22      LEU  23  -0.601   6.689   3.160
  174   HD23  LEU  23          HD23      LEU  23  -2.070   6.831   2.197
  175    H    GLN  24           HN       GLN  24   1.488   7.911  -0.771
  176    HA   GLN  24           HA       GLN  24   0.901   5.106  -0.476
  177    HB2  GLN  24           HB2      GLN  24   1.892   6.779  -2.808
  178    HB3  GLN  24           HB1      GLN  24   1.474   5.069  -2.919
  179    HG2  GLN  24           HG2      GLN  24  -0.432   7.284  -2.108
  180    HG3  GLN  24           HG1      GLN  24  -0.325   6.558  -3.696
  181   HE21  GLN  24          HE21      GLN  24  -1.037   4.409  -3.991
  182   HE22  GLN  24          HE22      GLN  24  -2.074   3.630  -2.854
  183    H    THR  25           HN       THR  25   3.719   7.165  -0.549
  184    HA   THR  25           HA       THR  25   5.693   5.312  -1.300
  185    HB   THR  25           HB       THR  25   7.353   6.896  -0.516
  186    HG1  THR  25           HG1      THR  25   5.779   8.842   0.486
  187   HG21  THR  25          HG21      THR  25   6.662   8.938  -1.702
  188   HG22  THR  25          HG22      THR  25   4.980   8.407  -1.658
  189   HG23  THR  25          HG23      THR  25   6.164   7.504  -2.605
  190    H    HIS  26           HN       HIS  26   3.938   5.372   1.603
  191    HA   HIS  26           HA       HIS  26   6.049   4.156   3.266
  192    HB2  HIS  26           HB2      HIS  26   3.202   5.059   3.888
  193    HB3  HIS  26           HB1      HIS  26   4.199   4.169   5.040
  194    HD1  HIS  26           HD1      HIS  26   6.341   5.406   5.950
  195    HD2  HIS  26           HD2      HIS  26   3.767   7.750   3.674
  196    HE1  HIS  26           HE1      HIS  26   6.958   7.809   6.434
  197    H    ARG  27           HN       ARG  27   3.207   3.325   1.441
  198    HA   ARG  27           HA       ARG  27   3.292   0.500   2.347
  199    HB2  ARG  27           HB2      ARG  27   1.153   0.202   1.247
  200    HB3  ARG  27           HB1      ARG  27   1.071   1.650   2.243
  201    HG2  ARG  27           HG2      ARG  27   1.451   3.024   0.175
  202    HG3  ARG  27           HG1      ARG  27   1.374   1.538  -0.774
  203    HD2  ARG  27           HD2      ARG  27  -0.772   2.604  -0.896
  204    HD3  ARG  27           HD1      ARG  27  -0.959   1.170   0.116
  205    HE   ARG  27           HE       ARG  27  -0.980   3.985   0.990
  206   HH11  ARG  27          HH11      ARG  27  -1.455   0.604   1.865
  207   HH12  ARG  27          HH12      ARG  27  -2.265   0.991   3.347
  208   HH21  ARG  27          HH21      ARG  27  -2.056   4.444   2.926
  209   HH22  ARG  27          HH22      ARG  27  -2.620   3.147   3.929
  210    H    GLY  28           HN       GLY  28   4.298   2.505  -0.256
  211    HA2  GLY  28           HA2      GLY  28   4.397   0.553  -2.349
  212    HA3  GLY  28           HA1      GLY  28   5.063   2.178  -2.367
  213    HA   PRO  29           HA       PRO  29   8.469  -1.149  -2.170
  214    HB2  PRO  29           HB2      PRO  29   9.527   0.360  -4.530
  215    HB3  PRO  29           HB1      PRO  29   9.329  -1.383  -4.314
  216    HG2  PRO  29           HG2      PRO  29   7.697  -0.000  -5.940
  217    HG3  PRO  29           HG1      PRO  29   7.087  -1.343  -4.949
  218    HD2  PRO  29           HD2      PRO  29   6.863   1.625  -4.460
  219    HD3  PRO  29           HD1      PRO  29   5.631   0.356  -4.269
  220    H    ALA  30           HN       ALA  30   9.913  -0.653  -0.661
  221    HA   ALA  30           HA       ALA  30  11.652   1.644  -0.685
  222    HB1  ALA  30           HB1      ALA  30   9.597   2.731   0.171
  223    HB2  ALA  30           HB2      ALA  30  10.828   2.656   1.428
  224    HB3  ALA  30           HB3      ALA  30   9.472   1.526   1.454
  225    H    LYS  31           HN       LYS  31  13.399   1.303   0.724
  226    HA   LYS  31           HA       LYS  31  13.775  -1.322   1.835
  227    HB2  LYS  31           HB2      LYS  31  15.464   1.190   2.224
  228    HB3  LYS  31           HB1      LYS  31  15.957  -0.452   2.626
  229    HG2  LYS  31           HG2      LYS  31  15.788  -1.052   0.207
  230    HG3  LYS  31           HG1      LYS  31  15.411   0.634  -0.148
  231    HD2  LYS  31           HD2      LYS  31  17.997  -0.315   1.161
  232    HD3  LYS  31           HD1      LYS  31  17.811  -0.012  -0.564
  233    HE2  LYS  31           HE2      LYS  31  18.870   1.917   0.357
  234    HE3  LYS  31           HE1      LYS  31  17.207   2.383   0.025
  235    HZ1  LYS  31           HZ1      LYS  31  16.689   2.222   2.339
  236    HZ2  LYS  31           HZ2      LYS  31  18.078   3.174   2.181
  237    HZ3  LYS  31           HZ3      LYS  31  18.206   1.575   2.702
  238    H    HIS  32           HN       HIS  32  14.309  -1.728   4.117
  239    HA   HIS  32           HA       HIS  32  12.992   0.098   6.051
  240    HB2  HIS  32           HB2      HIS  32  12.480  -1.876   7.456
  241    HB3  HIS  32           HB1      HIS  32  11.709  -2.000   5.883
  242    HD1  HIS  32           HD1      HIS  32  12.161  -4.077   4.563
  243    HD2  HIS  32           HD2      HIS  32  14.768  -3.689   7.774
  244    HE1  HIS  32           HE1      HIS  32  13.421  -6.237   4.666
  245    HE2  HIS  32           HE2      HIS  32  15.068  -5.941   6.548
  246    H    TYR  33           HN       TYR  33  13.971  -0.084   8.264
  247    HA   TYR  33           HA       TYR  33  16.840   0.321   7.916
  248    HB2  TYR  33           HB2      TYR  33  14.986   1.840   9.210
  249    HB3  TYR  33           HB1      TYR  33  15.507   0.871  10.561
  250    HD1  TYR  33           HD2      TYR  33  18.239   0.686  10.732
  251    HD2  TYR  33           HD1      TYR  33  16.105   3.909   8.917
  252    HE1  TYR  33           HE2      TYR  33  20.174   2.151  11.066
  253    HE2  TYR  33           HE1      TYR  33  18.052   5.377   9.250
  254    HH   TYR  33           HH       TYR  33  20.018   5.506  10.751
  255    H    MET  34           HN       MET  34  18.361  -0.956   8.688
  256    HA   MET  34           HA       MET  34  17.806  -3.129  10.621
  257    HB2  MET  34           HB2      MET  34  18.846  -3.973   8.570
  258    HB3  MET  34           HB1      MET  34  20.059  -2.702   8.595
  259    HG2  MET  34           HG2      MET  34  20.945  -3.718  10.737
  260    HG3  MET  34           HG1      MET  34  19.851  -5.076  10.461
  261    HE1  MET  34           HE1      MET  34  23.608  -6.242   9.559
  262    HE2  MET  34           HE2      MET  34  22.289  -6.468  10.708
  263    HE3  MET  34           HE3      MET  34  23.209  -4.964  10.704
  264    H    CYS  35           HN       CYS  35  18.780  -2.986  12.626
  265    HA   CYS  35           HA       CYS  35  19.603  -0.494  13.621
  266    HB2  CYS  35           HB2      CYS  35  18.629  -2.390  14.960
  267    HB3  CYS  35           HB1      CYS  35  20.144  -3.208  14.857
  268    HA   PRO  36           HA       PRO  36  23.960  -0.559  12.180
  269    HB2  PRO  36           HB2      PRO  36  24.171   1.691  14.180
  270    HB3  PRO  36           HB1      PRO  36  24.718   1.629  12.494
  271    HG2  PRO  36           HG2      PRO  36  22.512   2.984  13.097
  272    HG3  PRO  36           HG1      PRO  36  22.542   1.957  11.644
  273    HD2  PRO  36           HD2      PRO  36  21.314   1.374  14.347
  274    HD3  PRO  36           HD1      PRO  36  20.639   1.099  12.722
  275    H    ILE  37           HN       ILE  37  23.053  -0.470  15.648
  276    HA   ILE  37           HA       ILE  37  25.720  -1.223  16.505
  277    HB   ILE  37           HB       ILE  37  23.206  -0.838  18.186
  278   HG12  ILE  37          HG12      ILE  37  25.345   1.241  17.488
  279   HG13  ILE  37          HG11      ILE  37  23.719   1.204  16.811
  280   HG21  ILE  37          HG21      ILE  37  24.782  -0.422  20.036
  281   HG22  ILE  37          HG22      ILE  37  26.140  -0.722  18.953
  282   HG23  ILE  37          HG23      ILE  37  25.025  -2.026  19.343
  283   HD11  ILE  37          HD11      ILE  37  22.800   1.583  19.061
  284   HD12  ILE  37          HD12      ILE  37  23.887   2.869  18.536
  285   HD13  ILE  37          HD13      ILE  37  24.445   1.667  19.700
  286    H    CYS  38           HN       CYS  38  22.412  -2.729  16.949
  287    HA   CYS  38           HA       CYS  38  23.768  -5.308  17.475
  288    HB2  CYS  38           HB2      CYS  38  22.126  -5.849  19.043
  289    HB3  CYS  38           HB1      CYS  38  22.431  -4.156  19.349
  290    H    GLY  39           HN       GLY  39  21.947  -3.845  15.090
  291    HA2  GLY  39           HA2      GLY  39  21.219  -4.593  13.131
  292    HA3  GLY  39           HA1      GLY  39  21.975  -6.136  13.496
  293    H    GLU  40           HN       GLU  40  19.366  -4.972  15.532
  294    HA   GLU  40           HA       GLU  40  17.425  -6.822  14.705
  295    HB2  GLU  40           HB2      GLU  40  17.024  -4.103  16.022
  296    HB3  GLU  40           HB1      GLU  40  15.840  -5.403  15.961
  297    HG2  GLU  40           HG2      GLU  40  18.495  -5.474  17.415
  298    HG3  GLU  40           HG1      GLU  40  16.912  -5.272  18.149
  299    H    ARG  41           HN       ARG  41  16.608  -6.907  12.671
  300    HA   ARG  41           HA       ARG  41  16.197  -4.553  11.007
  301    HB2  ARG  41           HB2      ARG  41  15.466  -7.478  10.534
  302    HB3  ARG  41           HB1      ARG  41  15.171  -6.188   9.379
  303    HG2  ARG  41           HG2      ARG  41  17.108  -7.243   8.586
  304    HG3  ARG  41           HG1      ARG  41  17.713  -5.797   9.393
  305    HD2  ARG  41           HD2      ARG  41  18.369  -7.116  11.338
  306    HD3  ARG  41           HD1      ARG  41  17.639  -8.568  10.643
  307    HE   ARG  41           HE       ARG  41  19.479  -7.674   8.786
  308   HH11  ARG  41          HH11      ARG  41  19.687  -8.758  12.132
  309   HH12  ARG  41          HH12      ARG  41  21.271  -9.430  11.924
  310   HH21  ARG  41          HH21      ARG  41  21.531  -8.565   8.542
  311   HH22  ARG  41          HH22      ARG  41  22.314  -9.333   9.889
  312    H    PHE  42           HN       PHE  42  14.358  -3.416  10.962
  313    HA   PHE  42           HA       PHE  42  11.869  -4.515  12.150
  314    HB2  PHE  42           HB2      PHE  42  13.116  -1.744  12.288
  315    HB3  PHE  42           HB1      PHE  42  11.385  -1.954  12.507
  316    HD1  PHE  42           HD1      PHE  42  14.687  -2.620  13.997
  317    HD2  PHE  42           HD2      PHE  42  10.470  -3.092  14.460
  318    HE1  PHE  42           HE1      PHE  42  15.005  -3.246  16.347
  319    HE2  PHE  42           HE2      PHE  42  10.802  -3.706  16.813
  320    HZ   PHE  42           HZ       PHE  42  13.068  -3.790  17.757
  321    HA   PRO  43           HA       PRO  43   9.874  -4.106   8.253
  322    HB2  PRO  43           HB2      PRO  43   7.317  -3.339   8.887
  323    HB3  PRO  43           HB1      PRO  43   7.956  -4.943   9.265
  324    HG2  PRO  43           HG2      PRO  43   7.772  -2.516  11.054
  325    HG3  PRO  43           HG1      PRO  43   7.264  -4.188  11.391
  326    HD2  PRO  43           HD2      PRO  43   9.620  -3.252  12.288
  327    HD3  PRO  43           HD1      PRO  43   9.469  -4.928  11.710
  328    H    SER  44           HN       SER  44  10.254  -1.270  10.174
  329    HA   SER  44           HA       SER  44  10.118   0.463   7.847
  330    HB2  SER  44           HB2      SER  44   8.539   2.058   9.034
  331    HB3  SER  44           HB1      SER  44   7.794   0.550   8.523
  332    HG   SER  44           HG       SER  44   7.154   0.541  10.546
  333    H    LEU  45           HN       LEU  45  10.713   2.702   8.423
  334    HA   LEU  45           HA       LEU  45  12.964   2.844  10.295
  335    HB2  LEU  45           HB2      LEU  45  11.863   4.855   8.263
  336    HB3  LEU  45           HB1      LEU  45  13.295   5.105   9.238
  337    HG   LEU  45           HG       LEU  45  14.325   3.081   8.060
  338   HD11  LEU  45          HD11      LEU  45  12.009   3.433   6.142
  339   HD12  LEU  45          HD12      LEU  45  12.313   2.032   7.172
  340   HD13  LEU  45          HD13      LEU  45  13.436   2.427   5.874
  341   HD21  LEU  45          HD21      LEU  45  14.957   4.370   6.057
  342   HD22  LEU  45          HD22      LEU  45  15.014   5.346   7.521
  343   HD23  LEU  45          HD23      LEU  45  13.664   5.527   6.394
  344    H    LEU  46           HN       LEU  46  10.708   2.502  11.714
  345    HA   LEU  46           HA       LEU  46   9.868   5.082  12.855
  346    HB2  LEU  46           HB2      LEU  46   7.909   2.894  11.994
  347    HB3  LEU  46           HB1      LEU  46   7.489   4.418  12.758
  348    HG   LEU  46           HG       LEU  46   8.676   4.178   9.965
  349   HD11  LEU  46          HD11      LEU  46   5.777   4.552  10.765
  350   HD12  LEU  46          HD12      LEU  46   6.486   3.106  10.040
  351   HD13  LEU  46          HD13      LEU  46   6.417   4.604   9.118
  352   HD21  LEU  46          HD21      LEU  46   7.394   6.562  11.355
  353   HD22  LEU  46          HD22      LEU  46   7.966   6.516   9.686
  354   HD23  LEU  46          HD23      LEU  46   9.116   6.362  11.010
  355    H    THR  47           HN       THR  47   9.236   1.620  12.802
  356    HA   THR  47           HA       THR  47   9.159   1.113  15.568
  357    HB   THR  47           HB       THR  47   9.600  -1.317  14.720
  358    HG1  THR  47           HG1      THR  47   8.893  -0.618  12.160
  359   HG21  THR  47          HG21      THR  47   7.329  -1.510  13.779
  360   HG22  THR  47          HG22      THR  47   7.257   0.240  13.570
  361   HG23  THR  47          HG23      THR  47   7.334  -0.450  15.192
  362    H    LEU  48           HN       LEU  48  11.847   1.036  13.191
  363    HA   LEU  48           HA       LEU  48  13.866   0.192  14.996
  364    HB2  LEU  48           HB2      LEU  48  14.044   0.337  12.424
  365    HB3  LEU  48           HB1      LEU  48  14.302   2.051  12.620
  366    HG   LEU  48           HG       LEU  48  16.392   0.637  12.221
  367   HD11  LEU  48          HD11      LEU  48  16.491   2.313  14.735
  368   HD12  LEU  48          HD12      LEU  48  16.621   2.906  13.078
  369   HD13  LEU  48          HD13      LEU  48  17.865   1.841  13.728
  370   HD21  LEU  48          HD21      LEU  48  17.391  -0.597  14.077
  371   HD22  LEU  48          HD22      LEU  48  15.829  -1.272  13.620
  372   HD23  LEU  48          HD23      LEU  48  15.962  -0.277  15.071
  373    H    THR  49           HN       THR  49  12.421   3.358  14.332
  374    HA   THR  49           HA       THR  49  14.282   4.942  15.780
  375    HB   THR  49           HB       THR  49  11.369   5.571  15.145
  376    HG1  THR  49           HG1      THR  49  12.030   6.158  13.185
  377   HG21  THR  49          HG21      THR  49  13.708   7.425  15.739
  378   HG22  THR  49          HG22      THR  49  12.322   7.130  16.793
  379   HG23  THR  49          HG23      THR  49  12.096   7.936  15.240
  380    H    GLU  50           HN       GLU  50  11.200   3.412  16.647
  381    HA   GLU  50           HA       GLU  50  11.022   4.183  19.363
  382    HB2  GLU  50           HB2      GLU  50  10.089   1.572  18.093
  383    HB3  GLU  50           HB1      GLU  50   9.608   2.151  19.686
  384    HG2  GLU  50           HG2      GLU  50   8.535   4.117  18.611
  385    HG3  GLU  50           HG1      GLU  50   8.962   3.464  17.031
  386    H    HIS  51           HN       HIS  51  12.748   1.577  17.765
  387    HA   HIS  51           HA       HIS  51  13.585   0.149  20.069
  388    HB2  HIS  51           HB2      HIS  51  13.445  -1.007  17.974
  389    HB3  HIS  51           HB1      HIS  51  14.488   0.163  17.170
  390    HD1  HIS  51           HD1      HIS  51  14.783  -2.405  19.984
  391    HD2  HIS  51           HD2      HIS  51  17.033  -0.686  16.942
  392    HE1  HIS  51           HE1      HIS  51  17.034  -3.530  20.037
  393    H    LYS  52           HN       LYS  52  15.294   2.503  18.002
  394    HA   LYS  52           HA       LYS  52  17.863   1.983  18.924
  395    HB2  LYS  52           HB2      LYS  52  18.551   4.070  17.759
  396    HB3  LYS  52           HB1      LYS  52  17.572   2.994  16.785
  397    HG2  LYS  52           HG2      LYS  52  16.736   5.080  16.217
  398    HG3  LYS  52           HG1      LYS  52  15.587   4.531  17.426
  399    HD2  LYS  52           HD2      LYS  52  16.022   6.859  17.820
  400    HD3  LYS  52           HD1      LYS  52  16.783   5.958  19.126
  401    HE2  LYS  52           HE2      LYS  52  18.285   6.987  16.695
  402    HE3  LYS  52           HE1      LYS  52  18.149   7.873  18.210
  403    HZ1  LYS  52           HZ1      LYS  52  19.232   5.963  19.318
  404    HZ2  LYS  52           HZ2      LYS  52  20.211   6.717  18.165
  405    HZ3  LYS  52           HZ3      LYS  52  19.471   5.250  17.800
  406    H    VAL  53           HN       VAL  53  15.499   4.132  20.279
  407    HA   VAL  53           HA       VAL  53  17.129   5.763  21.895
  408    HB   VAL  53           HB       VAL  53  15.120   6.354  23.119
  409   HG11  VAL  53          HG11      VAL  53  15.370   7.342  20.891
  410   HG12  VAL  53          HG12      VAL  53  13.663   7.086  21.258
  411   HG13  VAL  53          HG13      VAL  53  14.505   5.981  20.169
  412   HG21  VAL  53          HG21      VAL  53  12.954   5.198  22.784
  413   HG22  VAL  53          HG22      VAL  53  14.161   4.124  23.490
  414   HG23  VAL  53          HG23      VAL  53  13.759   3.990  21.778
  415    H    THR  54           HN       THR  54  16.204   2.458  22.313
  416    HA   THR  54           HA       THR  54  16.666   2.311  25.171
  417    HB   THR  54           HB       THR  54  16.449  -0.136  24.949
  418    HG1  THR  54           HG1      THR  54  15.791  -0.181  22.292
  419   HG21  THR  54          HG21      THR  54  14.348   1.332  23.313
  420   HG22  THR  54          HG22      THR  54  14.359   1.162  25.070
  421   HG23  THR  54          HG23      THR  54  14.151  -0.261  24.048
  422    H    HIS  55           HN       HIS  55  18.826   2.772  22.717
  423    HA   HIS  55           HA       HIS  55  20.987   1.077  23.794
  424    HB2  HIS  55           HB2      HIS  55  20.660   2.644  21.205
  425    HB3  HIS  55           HB1      HIS  55  22.252   2.175  21.770
  426    HD1  HIS  55           HD1      HIS  55  22.806  -0.390  21.785
  427    HD2  HIS  55           HD2      HIS  55  19.159   0.591  20.043
  428    HE1  HIS  55           HE1      HIS  55  22.108  -2.391  20.425
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  -9.195  15.722   6.547
    2    H2   MET   1           HT2      MET   1 -10.804  15.227   6.685
    3    H3   MET   1           HT3      MET   1  -9.956  15.765   8.044
    4    HA   MET   1           HA       MET   1 -10.594  17.416   5.694
    5    HB2  MET   1           HB2      MET   1 -12.244  18.571   7.131
    6    HB3  MET   1           HB1      MET   1 -12.644  16.871   6.964
    7    HG2  MET   1           HG2      MET   1 -11.767  16.407   9.192
    8    HG3  MET   1           HG1      MET   1 -11.255  18.083   9.367
    9    HE1  MET   1           HE1      MET   1 -15.677  16.710   9.256
   10    HE2  MET   1           HE2      MET   1 -14.313  15.597   9.231
   11    HE3  MET   1           HE3      MET   1 -14.633  16.631   7.835
   12    H    GLY   2           HN       GLY   2  -9.972  19.601   5.902
   13    HA2  GLY   2           HA2      GLY   2  -8.769  21.424   6.559
   14    HA3  GLY   2           HA1      GLY   2  -8.634  20.717   8.161
   15    H    SER   3           HN       SER   3  -6.878  19.227   8.558
   16    HA   SER   3           HA       SER   3  -4.464  20.088   7.197
   17    HB2  SER   3           HB2      SER   3  -3.371  19.035   9.262
   18    HB3  SER   3           HB1      SER   3  -4.438  20.402   9.589
   19    HG   SER   3           HG       SER   3  -5.806  19.116  10.583
   20    H    HIS   4           HN       HIS   4  -4.498  18.871   5.427
   21    HA   HIS   4           HA       HIS   4  -4.412  16.020   5.289
   22    HB2  HIS   4           HB2      HIS   4  -3.410  18.166   3.390
   23    HB3  HIS   4           HB1      HIS   4  -3.116  16.465   3.055
   24    HD1  HIS   4           HD1      HIS   4  -5.927  18.957   3.362
   25    HD2  HIS   4           HD2      HIS   4  -5.269  15.078   2.027
   26    HE1  HIS   4           HE1      HIS   4  -8.048  18.275   2.215
   27    HE2  HIS   4           HE2      HIS   4  -7.611  15.949   1.372
   28    H    LYS   5           HN       LYS   5  -3.168  15.773   7.272
   29    HA   LYS   5           HA       LYS   5  -0.235  15.975   6.968
   30    HB2  LYS   5           HB2      LYS   5  -1.185  17.126   8.938
   31    HB3  LYS   5           HB1      LYS   5  -1.963  15.637   9.462
   32    HG2  LYS   5           HG2      LYS   5   0.296  14.600   9.767
   33    HG3  LYS   5           HG1      LYS   5   1.035  16.142   9.321
   34    HD2  LYS   5           HD2      LYS   5   0.002  17.237  11.252
   35    HD3  LYS   5           HD1      LYS   5  -0.852  15.750  11.675
   36    HE2  LYS   5           HE2      LYS   5   1.337  14.642  12.085
   37    HE3  LYS   5           HE1      LYS   5   2.157  16.157  11.698
   38    HZ1  LYS   5           HZ1      LYS   5   1.899  15.841  14.078
   39    HZ2  LYS   5           HZ2      LYS   5   0.222  15.776  13.915
   40    HZ3  LYS   5           HZ3      LYS   5   1.048  17.204  13.552
   41    H    CYS   6           HN       CYS   6   0.958  14.155   6.991
   42    HA   CYS   6           HA       CYS   6  -0.336  11.524   6.953
   43    HB2  CYS   6           HB2      CYS   6   1.121  12.111   5.074
   44    HB3  CYS   6           HB1      CYS   6   2.420  12.540   6.157
   45    H    ASN   7           HN       ASN   7  -0.737  11.376   9.170
   46    HA   ASN   7           HA       ASN   7   0.841  12.278  11.258
   47    HB2  ASN   7           HB2      ASN   7  -1.576  11.879  11.429
   48    HB3  ASN   7           HB1      ASN   7  -1.322  10.141  11.300
   49   HD21  ASN   7          HD21      ASN   7  -0.510   9.010  13.126
   50   HD22  ASN   7          HD22      ASN   7  -0.472   9.727  14.698
   51    H    VAL   8           HN       VAL   8   0.943   9.068   9.749
   52    HA   VAL   8           HA       VAL   8   1.947   7.554  11.910
   53    HB   VAL   8           HB       VAL   8   2.486   7.000   8.964
   54   HG11  VAL   8          HG11      VAL   8   2.407   5.068  11.306
   55   HG12  VAL   8          HG12      VAL   8   3.847   5.593  10.431
   56   HG13  VAL   8          HG13      VAL   8   2.626   4.626   9.604
   57   HG21  VAL   8          HG21      VAL   8   0.079   6.151  10.600
   58   HG22  VAL   8          HG22      VAL   8   0.418   5.689   8.926
   59   HG23  VAL   8          HG23      VAL   8   0.101   7.376   9.332
   60    H    CYS   9           HN       CYS   9   3.742   9.124   9.256
   61    HA   CYS   9           HA       CYS   9   6.329   8.786  10.621
   62    HB2  CYS   9           HB2      CYS   9   7.336   9.649   8.634
   63    HB3  CYS   9           HB1      CYS   9   6.067   8.571   8.096
   64    H    SER  10           HN       SER  10   4.009  11.172   9.863
   65    HA   SER  10           HA       SER  10   3.267  12.896  11.235
   66    HB2  SER  10           HB2      SER  10   6.135  13.309  12.178
   67    HB3  SER  10           HB1      SER  10   4.721  14.190  12.762
   68    HG   SER  10           HG       SER  10   5.643  11.712  13.451
   69    H    ARG  11           HN       ARG  11   5.014  12.797   8.536
   70    HA   ARG  11           HA       ARG  11   5.717  15.594   8.210
   71    HB2  ARG  11           HB2      ARG  11   5.754  13.289   6.222
   72    HB3  ARG  11           HB1      ARG  11   6.339  14.911   5.867
   73    HG2  ARG  11           HG2      ARG  11   7.479  13.002   7.935
   74    HG3  ARG  11           HG1      ARG  11   8.200  13.415   6.379
   75    HD2  ARG  11           HD2      ARG  11   8.412  15.789   7.153
   76    HD3  ARG  11           HD1      ARG  11   7.780  15.300   8.731
   77    HE   ARG  11           HE       ARG  11  10.104  13.817   7.821
   78   HH11  ARG  11          HH11      ARG  11   9.031  16.590   9.712
   79   HH12  ARG  11          HH12      ARG  11  10.528  16.728  10.577
   80   HH21  ARG  11          HH21      ARG  11  12.064  14.027   8.969
   81   HH22  ARG  11          HH22      ARG  11  12.241  15.287  10.149
   82    H    THR  12           HN       THR  12   4.767  17.032   6.776
   83    HA   THR  12           HA       THR  12   1.857  16.640   6.425
   84    HB   THR  12           HB       THR  12   2.581  18.569   7.801
   85    HG1  THR  12           HG1      THR  12   1.320  20.147   6.679
   86   HG21  THR  12          HG21      THR  12   3.857  19.660   5.262
   87   HG22  THR  12          HG22      THR  12   4.722  19.114   6.704
   88   HG23  THR  12          HG23      THR  12   3.670  20.525   6.792
   89    H    PHE  13           HN       PHE  13   0.887  17.705   4.524
   90    HA   PHE  13           HA       PHE  13   2.097  17.018   2.042
   91    HB2  PHE  13           HB2      PHE  13   0.093  17.841   0.984
   92    HB3  PHE  13           HB1      PHE  13  -0.379  17.001   2.452
   93    HD1  PHE  13           HD1      PHE  13  -0.137  19.051   4.565
   94    HD2  PHE  13           HD2      PHE  13  -1.531  19.471   0.550
   95    HE1  PHE  13           HE1      PHE  13  -1.515  20.974   5.230
   96    HE2  PHE  13           HE2      PHE  13  -2.896  21.397   1.223
   97    HZ   PHE  13           HZ       PHE  13  -2.891  22.155   3.565
   98    H    PHE  14           HN       PHE  14   2.150  18.507   0.192
   99    HA   PHE  14           HA       PHE  14   3.281  21.187   0.783
  100    HB2  PHE  14           HB2      PHE  14   3.725  19.482  -1.729
  101    HB3  PHE  14           HB1      PHE  14   4.572  20.962  -1.281
  102    HD1  PHE  14           HD1      PHE  14   4.266  17.333  -0.627
  103    HD2  PHE  14           HD2      PHE  14   6.390  20.912   0.370
  104    HE1  PHE  14           HE1      PHE  14   6.010  15.996   0.485
  105    HE2  PHE  14           HE2      PHE  14   8.132  19.568   1.466
  106    HZ   PHE  14           HZ       PHE  14   7.946  17.115   1.532
  107    H    SER  15           HN       SER  15   1.776  19.381  -1.898
  108    HA   SER  15           HA       SER  15  -0.529  21.236  -1.939
  109    HB2  SER  15           HB2      SER  15  -0.912  20.455  -4.254
  110    HB3  SER  15           HB1      SER  15   0.727  21.086  -4.109
  111    HG   SER  15           HG       SER  15   0.826  19.147  -5.205
  112    H    GLU  16           HN       GLU  16  -2.591  19.885  -2.656
  113    HA   GLU  16           HA       GLU  16  -3.030  17.984  -0.566
  114    HB2  GLU  16           HB2      GLU  16  -4.776  18.779  -2.925
  115    HB3  GLU  16           HB1      GLU  16  -5.304  17.743  -1.600
  116    HG2  GLU  16           HG2      GLU  16  -4.861  19.610  -0.000
  117    HG3  GLU  16           HG1      GLU  16  -4.430  20.640  -1.362
  118    H    ASN  17           HN       ASN  17  -2.402  17.716  -4.049
  119    HA   ASN  17           HA       ASN  17  -2.654  14.838  -4.171
  120    HB2  ASN  17           HB2      ASN  17  -1.280  16.772  -6.094
  121    HB3  ASN  17           HB1      ASN  17  -1.603  15.068  -6.418
  122   HD21  ASN  17          HD21      ASN  17  -2.498  17.403  -7.895
  123   HD22  ASN  17          HD22      ASN  17  -4.224  17.359  -7.901
  124    H    GLY  18           HN       GLY  18  -0.166  17.185  -3.461
  125    HA2  GLY  18           HA2      GLY  18   2.189  15.666  -3.541
  126    HA3  GLY  18           HA1      GLY  18   1.894  17.040  -2.483
  127    H    LEU  19           HN       LEU  19  -0.265  15.993  -0.967
  128    HA   LEU  19           HA       LEU  19   0.895  14.352   0.993
  129    HB2  LEU  19           HB2      LEU  19  -1.199  15.826   1.170
  130    HB3  LEU  19           HB1      LEU  19  -2.094  14.547   0.404
  131    HG   LEU  19           HG       LEU  19  -2.273  14.741   2.966
  132   HD11  LEU  19          HD11      LEU  19  -2.393  12.348   3.377
  133   HD12  LEU  19          HD12      LEU  19  -1.462  12.019   1.913
  134   HD13  LEU  19          HD13      LEU  19  -3.067  12.746   1.797
  135   HD21  LEU  19          HD21      LEU  19  -0.521  13.741   4.350
  136   HD22  LEU  19          HD22      LEU  19   0.101  15.135   3.472
  137   HD23  LEU  19          HD23      LEU  19   0.503  13.503   2.930
  138    H    ARG  20           HN       ARG  20  -1.201  13.599  -1.736
  139    HA   ARG  20           HA       ARG  20  -1.742  10.888  -1.136
  140    HB2  ARG  20           HB2      ARG  20  -1.793  12.168  -3.899
  141    HB3  ARG  20           HB1      ARG  20  -2.717  10.766  -3.362
  142    HG2  ARG  20           HG2      ARG  20  -3.089  13.645  -2.482
  143    HG3  ARG  20           HG1      ARG  20  -4.157  12.712  -3.521
  144    HD2  ARG  20           HD2      ARG  20  -4.705  11.223  -1.645
  145    HD3  ARG  20           HD1      ARG  20  -3.597  12.122  -0.597
  146    HE   ARG  20           HE       ARG  20  -5.334  14.005  -1.621
  147   HH11  ARG  20          HH11      ARG  20  -5.705  11.120   0.368
  148   HH12  ARG  20          HH12      ARG  20  -7.137  11.709   1.144
  149   HH21  ARG  20          HH21      ARG  20  -7.215  14.738  -0.586
  150   HH22  ARG  20          HH22      ARG  20  -8.000  13.731   0.595
  151    H    GLU  21           HN       GLU  21   0.744  12.410  -3.181
  152    HA   GLU  21           HA       GLU  21   1.938  10.043  -4.191
  153    HB2  GLU  21           HB2      GLU  21   2.271  12.273  -5.242
  154    HB3  GLU  21           HB1      GLU  21   3.119  12.831  -3.801
  155    HG2  GLU  21           HG2      GLU  21   4.849  11.027  -4.229
  156    HG3  GLU  21           HG1      GLU  21   4.042  10.704  -5.762
  157    H    HIS  22           HN       HIS  22   2.707  12.232  -1.520
  158    HA   HIS  22           HA       HIS  22   4.971  10.937  -0.472
  159    HB2  HIS  22           HB2      HIS  22   4.527  13.232   0.164
  160    HB3  HIS  22           HB1      HIS  22   2.933  12.828   0.787
  161    HD1  HIS  22           HD1      HIS  22   6.586  12.517   1.692
  162    HD2  HIS  22           HD2      HIS  22   2.851  11.942   3.355
  163    HE1  HIS  22           HE1      HIS  22   6.982  11.842   4.085
  164    H    LEU  23           HN       LEU  23   1.561  10.296  -0.080
  165    HA   LEU  23           HA       LEU  23   1.603   8.695   2.243
  166    HB2  LEU  23           HB2      LEU  23  -0.397   9.792   0.937
  167    HB3  LEU  23           HB1      LEU  23  -0.382   8.318  -0.011
  168    HG   LEU  23           HG       LEU  23  -0.635   7.047   2.222
  169   HD11  LEU  23          HD11      LEU  23  -1.604   8.296   4.113
  170   HD12  LEU  23          HD12      LEU  23  -1.363   9.812   3.240
  171   HD13  LEU  23          HD13      LEU  23   0.027   8.849   3.735
  172   HD21  LEU  23          HD21      LEU  23  -2.923   8.840   1.319
  173   HD22  LEU  23          HD22      LEU  23  -3.079   7.372   2.288
  174   HD23  LEU  23          HD23      LEU  23  -2.495   7.270   0.631
  175    H    GLN  24           HN       GLN  24   2.335   8.015  -1.134
  176    HA   GLN  24           HA       GLN  24   1.902   5.177  -1.071
  177    HB2  GLN  24           HB2      GLN  24   3.334   6.931  -3.111
  178    HB3  GLN  24           HB1      GLN  24   2.859   5.257  -3.363
  179    HG2  GLN  24           HG2      GLN  24   0.496   5.870  -3.215
  180    HG3  GLN  24           HG1      GLN  24   0.935   7.539  -2.865
  181   HE21  GLN  24          HE21      GLN  24  -0.672   6.435  -5.046
  182   HE22  GLN  24          HE22      GLN  24   0.077   6.977  -6.506
  183    H    THR  25           HN       THR  25   4.518   7.276  -0.229
  184    HA   THR  25           HA       THR  25   6.713   5.507  -0.571
  185    HB   THR  25           HB       THR  25   7.980   7.038   0.808
  186    HG1  THR  25           HG1      THR  25   5.457   7.791   1.806
  187   HG21  THR  25          HG21      THR  25   7.405   7.930  -1.424
  188   HG22  THR  25          HG22      THR  25   7.518   9.229  -0.234
  189   HG23  THR  25          HG23      THR  25   5.936   8.648  -0.760
  190    H    HIS  26           HN       HIS  26   4.105   5.397   1.607
  191    HA   HIS  26           HA       HIS  26   5.518   3.599   3.510
  192    HB2  HIS  26           HB2      HIS  26   2.915   5.072   4.121
  193    HB3  HIS  26           HB1      HIS  26   4.011   4.275   5.241
  194    HD1  HIS  26           HD1      HIS  26   6.355   5.562   5.650
  195    HD2  HIS  26           HD2      HIS  26   3.363   7.725   3.757
  196    HE1  HIS  26           HE1      HIS  26   6.935   7.997   5.954
  197    H    ARG  27           HN       ARG  27   3.042   3.937   1.143
  198    HA   ARG  27           HA       ARG  27   1.418   1.678   2.013
  199    HB2  ARG  27           HB2      ARG  27   1.258   3.416  -0.482
  200    HB3  ARG  27           HB1      ARG  27   0.147   2.097  -0.128
  201    HG2  ARG  27           HG2      ARG  27   0.478   4.666   1.455
  202    HG3  ARG  27           HG1      ARG  27  -0.903   4.201   0.460
  203    HD2  ARG  27           HD2      ARG  27  -0.022   2.928   3.081
  204    HD3  ARG  27           HD1      ARG  27  -1.477   3.885   2.795
  205    HE   ARG  27           HE       ARG  27  -1.069   1.313   1.391
  206   HH11  ARG  27          HH11      ARG  27  -3.056   3.259   3.539
  207   HH12  ARG  27          HH12      ARG  27  -4.322   2.086   3.608
  208   HH21  ARG  27          HH21      ARG  27  -2.733  -0.198   1.495
  209   HH22  ARG  27          HH22      ARG  27  -4.142   0.124   2.457
  210    H    GLY  28           HN       GLY  28   3.743   2.473  -0.517
  211    HA2  GLY  28           HA2      GLY  28   3.972  -0.230  -1.563
  212    HA3  GLY  28           HA1      GLY  28   4.980   1.158  -1.953
  213    HA   PRO  29           HA       PRO  29   7.647  -1.429   0.820
  214    HB2  PRO  29           HB2      PRO  29  10.003  -1.006  -0.528
  215    HB3  PRO  29           HB1      PRO  29   8.842  -2.257  -0.995
  216    HG2  PRO  29           HG2      PRO  29   9.280   0.471  -2.185
  217    HG3  PRO  29           HG1      PRO  29   8.971  -1.075  -3.003
  218    HD2  PRO  29           HD2      PRO  29   7.024   0.826  -2.576
  219    HD3  PRO  29           HD1      PRO  29   6.671  -0.911  -2.707
  220    H    ALA  30           HN       ALA  30   8.079  -0.415   2.663
  221    HA   ALA  30           HA       ALA  30   9.463   2.215   2.718
  222    HB1  ALA  30           HB1      ALA  30   8.461   2.530   4.965
  223    HB2  ALA  30           HB2      ALA  30   7.630   0.979   4.822
  224    HB3  ALA  30           HB3      ALA  30   7.206   2.308   3.742
  225    H    LYS  31           HN       LYS  31  11.433   2.279   3.776
  226    HA   LYS  31           HA       LYS  31  12.853  -0.123   4.035
  227    HB2  LYS  31           HB2      LYS  31  13.889   1.966   3.279
  228    HB3  LYS  31           HB1      LYS  31  13.627   2.698   4.859
  229    HG2  LYS  31           HG2      LYS  31  15.163   1.067   5.885
  230    HG3  LYS  31           HG1      LYS  31  15.417   0.304   4.310
  231    HD2  LYS  31           HD2      LYS  31  16.437   2.384   3.457
  232    HD3  LYS  31           HD1      LYS  31  16.136   3.187   5.002
  233    HE2  LYS  31           HE2      LYS  31  18.475   2.453   4.778
  234    HE3  LYS  31           HE1      LYS  31  17.672   1.647   6.124
  235    HZ1  LYS  31           HZ1      LYS  31  18.132   0.480   3.428
  236    HZ2  LYS  31           HZ2      LYS  31  17.382  -0.305   4.719
  237    HZ3  LYS  31           HZ3      LYS  31  19.015   0.123   4.824
  238    H    HIS  32           HN       HIS  32  11.813  -1.402   5.612
  239    HA   HIS  32           HA       HIS  32  12.347  -0.750   8.439
  240    HB2  HIS  32           HB2      HIS  32  11.190  -3.290   7.198
  241    HB3  HIS  32           HB1      HIS  32  11.303  -2.952   8.923
  242    HD1  HIS  32           HD1      HIS  32   9.352  -2.060   5.846
  243    HD2  HIS  32           HD2      HIS  32   9.316  -1.217   9.919
  244    HE1  HIS  32           HE1      HIS  32   7.177  -0.887   6.271
  245    HE2  HIS  32           HE2      HIS  32   7.246  -0.256   8.707
  246    H    TYR  33           HN       TYR  33  13.945  -2.102   9.627
  247    HA   TYR  33           HA       TYR  33  16.289  -2.065   7.969
  248    HB2  TYR  33           HB2      TYR  33  15.857  -2.379  10.959
  249    HB3  TYR  33           HB1      TYR  33  17.462  -2.458  10.230
  250    HD1  TYR  33           HD2      TYR  33  18.415  -0.472   9.089
  251    HD2  TYR  33           HD1      TYR  33  14.682  -0.221  11.136
  252    HE1  TYR  33           HE2      TYR  33  18.543   1.977   9.022
  253    HE2  TYR  33           HE1      TYR  33  14.806   2.229  11.053
  254    HH   TYR  33           HH       TYR  33  16.616   3.977  10.865
  255    H    MET  34           HN       MET  34  16.765  -3.683   6.763
  256    HA   MET  34           HA       MET  34  16.596  -6.485   7.660
  257    HB2  MET  34           HB2      MET  34  15.510  -5.993   5.480
  258    HB3  MET  34           HB1      MET  34  16.993  -5.267   4.877
  259    HG2  MET  34           HG2      MET  34  18.098  -7.529   5.134
  260    HG3  MET  34           HG1      MET  34  16.506  -8.193   5.495
  261    HE1  MET  34           HE1      MET  34  14.538  -8.376   3.660
  262    HE2  MET  34           HE2      MET  34  14.653  -7.647   2.058
  263    HE3  MET  34           HE3      MET  34  14.604  -6.622   3.490
  264    H    CYS  35           HN       CYS  35  18.490  -7.675   7.800
  265    HA   CYS  35           HA       CYS  35  20.874  -6.430   8.527
  266    HB2  CYS  35           HB2      CYS  35  20.352  -8.628   9.342
  267    HB3  CYS  35           HB1      CYS  35  20.261  -9.271   7.744
  268    HA   PRO  36           HA       PRO  36  22.862  -5.715   4.469
  269    HB2  PRO  36           HB2      PRO  36  25.345  -5.476   6.166
  270    HB3  PRO  36           HB1      PRO  36  24.680  -4.345   4.975
  271    HG2  PRO  36           HG2      PRO  36  24.478  -3.832   7.594
  272    HG3  PRO  36           HG1      PRO  36  23.144  -3.454   6.486
  273    HD2  PRO  36           HD2      PRO  36  23.429  -5.798   8.369
  274    HD3  PRO  36           HD1      PRO  36  22.010  -4.769   8.053
  275    H    ILE  37           HN       ILE  37  24.199  -7.865   7.001
  276    HA   ILE  37           HA       ILE  37  26.095  -9.096   5.225
  277    HB   ILE  37           HB       ILE  37  25.394  -9.878   8.088
  278   HG12  ILE  37          HG12      ILE  37  27.490  -7.844   7.142
  279   HG13  ILE  37          HG11      ILE  37  25.970  -7.435   7.924
  280   HG21  ILE  37          HG21      ILE  37  27.699 -10.777   8.151
  281   HG22  ILE  37          HG22      ILE  37  27.921 -10.333   6.458
  282   HG23  ILE  37          HG23      ILE  37  26.731 -11.556   6.902
  283   HD11  ILE  37          HD11      ILE  37  28.246  -8.962   9.178
  284   HD12  ILE  37          HD12      ILE  37  26.721  -8.553   9.970
  285   HD13  ILE  37          HD13      ILE  37  27.825  -7.275   9.462
  286    H    CYS  38           HN       CYS  38  23.338 -10.505   7.137
  287    HA   CYS  38           HA       CYS  38  23.010 -12.487   5.008
  288    HB2  CYS  38           HB2      CYS  38  22.418 -14.149   6.749
  289    HB3  CYS  38           HB1      CYS  38  24.074 -13.628   6.777
  290    H    GLY  39           HN       GLY  39  21.383  -9.943   6.209
  291    HA2  GLY  39           HA2      GLY  39  19.434  -9.099   5.576
  292    HA3  GLY  39           HA1      GLY  39  19.325 -10.403   4.399
  293    H    GLU  40           HN       GLU  40  19.215 -10.930   7.892
  294    HA   GLU  40           HA       GLU  40  16.526 -11.719   8.083
  295    HB2  GLU  40           HB2      GLU  40  18.371 -10.587  10.248
  296    HB3  GLU  40           HB1      GLU  40  16.828 -11.361  10.560
  297    HG2  GLU  40           HG2      GLU  40  18.618 -12.880  11.064
  298    HG3  GLU  40           HG1      GLU  40  17.720 -13.492   9.684
  299    H    ARG  41           HN       ARG  41  14.762 -10.456   7.862
  300    HA   ARG  41           HA       ARG  41  14.755  -7.589   8.047
  301    HB2  ARG  41           HB2      ARG  41  12.432  -9.576   8.015
  302    HB3  ARG  41           HB1      ARG  41  12.264  -7.827   7.862
  303    HG2  ARG  41           HG2      ARG  41  13.565  -7.895   5.753
  304    HG3  ARG  41           HG1      ARG  41  13.694  -9.649   5.893
  305    HD2  ARG  41           HD2      ARG  41  11.203  -9.800   5.792
  306    HD3  ARG  41           HD1      ARG  41  11.135  -8.050   5.572
  307    HE   ARG  41           HE       ARG  41  12.023  -8.277   3.414
  308   HH11  ARG  41          HH11      ARG  41  11.646 -11.429   4.920
  309   HH12  ARG  41          HH12      ARG  41  11.749 -12.288   3.418
  310   HH21  ARG  41          HH21      ARG  41  12.121  -9.411   1.447
  311   HH22  ARG  41          HH22      ARG  41  12.021 -11.142   1.445
  312    H    PHE  42           HN       PHE  42  14.436  -6.375   9.819
  313    HA   PHE  42           HA       PHE  42  13.243  -7.524  12.266
  314    HB2  PHE  42           HB2      PHE  42  15.672  -5.693  12.035
  315    HB3  PHE  42           HB1      PHE  42  14.791  -5.913  13.542
  316    HD1  PHE  42           HD2      PHE  42  14.540  -8.317  14.468
  317    HD2  PHE  42           HD1      PHE  42  17.376  -7.260  11.452
  318    HE1  PHE  42           HE2      PHE  42  15.847 -10.346  14.981
  319    HE2  PHE  42           HE1      PHE  42  18.667  -9.283  11.965
  320    HZ   PHE  42           HZ       PHE  42  17.914 -10.826  13.730
  321    HA   PRO  43           HA       PRO  43  10.299  -4.226  12.055
  322    HB2  PRO  43           HB2      PRO  43   9.851  -3.616  14.718
  323    HB3  PRO  43           HB1      PRO  43   9.246  -5.084  13.935
  324    HG2  PRO  43           HG2      PRO  43  11.739  -4.728  15.603
  325    HG3  PRO  43           HG1      PRO  43  10.495  -5.998  15.712
  326    HD2  PRO  43           HD2      PRO  43  12.813  -6.457  14.441
  327    HD3  PRO  43           HD1      PRO  43  11.288  -7.111  13.801
  328    H    SER  44           HN       SER  44  13.357  -3.561  13.748
  329    HA   SER  44           HA       SER  44  13.302  -0.759  13.086
  330    HB2  SER  44           HB2      SER  44  13.049  -1.532  16.034
  331    HB3  SER  44           HB1      SER  44  13.351   0.097  15.430
  332    HG   SER  44           HG       SER  44  11.295  -0.308  14.211
  333    H    LEU  45           HN       LEU  45  15.142   0.391  14.257
  334    HA   LEU  45           HA       LEU  45  17.617  -1.058  13.876
  335    HB2  LEU  45           HB2      LEU  45  18.615   1.275  14.338
  336    HB3  LEU  45           HB1      LEU  45  17.653   1.064  12.894
  337    HG   LEU  45           HG       LEU  45  15.710   2.109  14.185
  338   HD11  LEU  45          HD11      LEU  45  17.858   3.032  16.107
  339   HD12  LEU  45          HD12      LEU  45  16.529   1.934  16.480
  340   HD13  LEU  45          HD13      LEU  45  16.188   3.608  16.057
  341   HD21  LEU  45          HD21      LEU  45  16.425   4.411  13.743
  342   HD22  LEU  45          HD22      LEU  45  16.907   3.327  12.444
  343   HD23  LEU  45          HD23      LEU  45  18.103   3.875  13.619
  344    H    LEU  46           HN       LEU  46  16.494  -2.285  15.985
  345    HA   LEU  46           HA       LEU  46  18.069  -1.464  18.332
  346    HB2  LEU  46           HB2      LEU  46  15.105  -2.223  18.468
  347    HB3  LEU  46           HB1      LEU  46  16.172  -2.189  19.856
  348    HG   LEU  46           HG       LEU  46  14.898  -0.219  20.036
  349   HD11  LEU  46          HD11      LEU  46  17.259   0.201  20.457
  350   HD12  LEU  46          HD12      LEU  46  16.471   1.634  19.807
  351   HD13  LEU  46          HD13      LEU  46  17.504   0.653  18.766
  352   HD21  LEU  46          HD21      LEU  46  14.512   1.423  18.253
  353   HD22  LEU  46          HD22      LEU  46  13.891  -0.167  17.815
  354   HD23  LEU  46          HD23      LEU  46  15.404   0.410  17.114
  355    H    THR  47           HN       THR  47  15.743  -3.880  17.127
  356    HA   THR  47           HA       THR  47  17.075  -6.170  18.128
  357    HB   THR  47           HB       THR  47  15.567  -7.375  16.400
  358    HG1  THR  47           HG1      THR  47  13.967  -5.163  16.115
  359   HG21  THR  47          HG21      THR  47  13.497  -6.951  17.676
  360   HG22  THR  47          HG22      THR  47  14.223  -5.514  18.397
  361   HG23  THR  47          HG23      THR  47  14.886  -7.108  18.760
  362    H    LEU  48           HN       LEU  48  17.237  -4.453  14.990
  363    HA   LEU  48           HA       LEU  48  18.962  -6.275  13.666
  364    HB2  LEU  48           HB2      LEU  48  17.601  -4.438  12.568
  365    HB3  LEU  48           HB1      LEU  48  18.733  -3.265  13.199
  366    HG   LEU  48           HG       LEU  48  18.967  -3.891  10.715
  367   HD11  LEU  48          HD11      LEU  48  20.767  -2.688  11.858
  368   HD12  LEU  48          HD12      LEU  48  21.398  -3.797  10.647
  369   HD13  LEU  48          HD13      LEU  48  21.493  -4.217  12.359
  370   HD21  LEU  48          HD21      LEU  48  18.652  -6.312  10.913
  371   HD22  LEU  48          HD22      LEU  48  20.170  -6.454  11.805
  372   HD23  LEU  48          HD23      LEU  48  20.176  -5.928  10.121
  373    H    THR  49           HN       THR  49  19.563  -3.498  15.769
  374    HA   THR  49           HA       THR  49  22.366  -3.319  15.523
  375    HB   THR  49           HB       THR  49  20.686  -2.587  17.965
  376    HG1  THR  49           HG1      THR  49  20.285  -0.669  16.954
  377   HG21  THR  49          HG21      THR  49  22.392  -0.861  18.360
  378   HG22  THR  49          HG22      THR  49  23.292  -1.401  16.940
  379   HG23  THR  49          HG23      THR  49  23.135  -2.460  18.343
  380    H    GLU  50           HN       GLU  50  20.316  -5.024  17.864
  381    HA   GLU  50           HA       GLU  50  22.327  -6.218  19.449
  382    HB2  GLU  50           HB2      GLU  50  19.491  -7.163  18.873
  383    HB3  GLU  50           HB1      GLU  50  20.538  -7.898  20.087
  384    HG2  GLU  50           HG2      GLU  50  20.661  -5.665  21.237
  385    HG3  GLU  50           HG1      GLU  50  19.470  -5.058  20.088
  386    H    HIS  51           HN       HIS  51  20.637  -7.406  16.552
  387    HA   HIS  51           HA       HIS  51  21.871  -9.932  16.302
  388    HB2  HIS  51           HB2      HIS  51  19.869  -9.420  15.047
  389    HB3  HIS  51           HB1      HIS  51  20.635  -8.055  14.249
  390    HD1  HIS  51           HD1      HIS  51  20.883 -11.867  14.302
  391    HD2  HIS  51           HD2      HIS  51  21.690  -8.630  11.834
  392    HE1  HIS  51           HE1      HIS  51  21.550 -12.826  12.067
  393    H    LYS  52           HN       LYS  52  22.853  -6.732  15.233
  394    HA   LYS  52           HA       LYS  52  25.008  -7.525  13.554
  395    HB2  LYS  52           HB2      LYS  52  23.844  -5.398  13.233
  396    HB3  LYS  52           HB1      LYS  52  24.368  -4.830  14.815
  397    HG2  LYS  52           HG2      LYS  52  26.713  -4.816  14.046
  398    HG3  LYS  52           HG1      LYS  52  26.211  -5.441  12.469
  399    HD2  LYS  52           HD2      LYS  52  24.903  -3.398  12.058
  400    HD3  LYS  52           HD1      LYS  52  25.335  -2.782  13.658
  401    HE2  LYS  52           HE2      LYS  52  27.696  -2.711  13.010
  402    HE3  LYS  52           HE1      LYS  52  27.301  -3.377  11.427
  403    HZ1  LYS  52           HZ1      LYS  52  25.984  -1.407  10.967
  404    HZ2  LYS  52           HZ2      LYS  52  27.581  -0.986  11.337
  405    HZ3  LYS  52           HZ3      LYS  52  26.364  -0.766  12.484
  406    H    VAL  53           HN       VAL  53  24.883  -6.528  16.996
  407    HA   VAL  53           HA       VAL  53  27.752  -6.345  17.234
  408    HB   VAL  53           HB       VAL  53  27.361  -5.936  19.628
  409   HG11  VAL  53          HG11      VAL  53  27.238  -4.031  18.112
  410   HG12  VAL  53          HG12      VAL  53  26.106  -3.815  19.449
  411   HG13  VAL  53          HG13      VAL  53  25.512  -4.309  17.862
  412   HG21  VAL  53          HG21      VAL  53  24.410  -6.416  19.076
  413   HG22  VAL  53          HG22      VAL  53  25.085  -5.803  20.588
  414   HG23  VAL  53          HG23      VAL  53  25.463  -7.440  20.055
  415    H    THR  54           HN       THR  54  25.316  -8.777  17.872
  416    HA   THR  54           HA       THR  54  27.311 -10.679  18.926
  417    HB   THR  54           HB       THR  54  25.352 -12.159  19.364
  418    HG1  THR  54           HG1      THR  54  23.447 -10.210  18.931
  419   HG21  THR  54          HG21      THR  54  26.033 -10.582  21.138
  420   HG22  THR  54          HG22      THR  54  24.284 -10.810  21.137
  421   HG23  THR  54          HG23      THR  54  24.978  -9.342  20.450
  422    H    HIS  55           HN       HIS  55  26.776  -9.707  15.947
  423    HA   HIS  55           HA       HIS  55  26.044 -11.892  14.395
  424    HB2  HIS  55           HB2      HIS  55  26.751  -9.306  13.805
  425    HB3  HIS  55           HB1      HIS  55  28.199 -10.136  13.242
  426    HD1  HIS  55           HD1      HIS  55  27.583 -12.212  11.482
  427    HD2  HIS  55           HD2      HIS  55  24.774  -9.211  12.054
  428    HE1  HIS  55           HE1      HIS  55  25.980 -12.358   9.534
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1 -11.452  24.621   7.514
    2    H2   MET   1           HT2      MET   1 -11.567  23.129   6.743
    3    H3   MET   1           HT3      MET   1 -10.066  23.867   6.906
    4    HA   MET   1           HA       MET   1 -10.181  23.663   9.283
    5    HB2  MET   1           HB2      MET   1 -12.636  23.751   9.496
    6    HB3  MET   1           HB1      MET   1 -12.800  22.204   8.684
    7    HG2  MET   1           HG2      MET   1 -11.730  21.069  10.567
    8    HG3  MET   1           HG1      MET   1 -11.451  22.617  11.366
    9    HE1  MET   1           HE1      MET   1 -13.440  24.170  12.308
   10    HE2  MET   1           HE2      MET   1 -15.146  23.741  12.178
   11    HE3  MET   1           HE3      MET   1 -14.228  24.154  10.730
   12    H    GLY   2           HN       GLY   2  -9.017  21.971  10.132
   13    HA2  GLY   2           HA2      GLY   2  -8.095  19.837  10.322
   14    HA3  GLY   2           HA1      GLY   2  -8.972  19.326   8.887
   15    H    SER   3           HN       SER   3  -6.658  18.332   8.769
   16    HA   SER   3           HA       SER   3  -5.079  19.841   6.862
   17    HB2  SER   3           HB2      SER   3  -3.900  18.939   9.522
   18    HB3  SER   3           HB1      SER   3  -2.947  19.508   8.153
   19    HG   SER   3           HG       SER   3  -4.273  21.485   8.347
   20    H    HIS   4           HN       HIS   4  -5.440  18.224   5.366
   21    HA   HIS   4           HA       HIS   4  -4.671  15.519   5.620
   22    HB2  HIS   4           HB2      HIS   4  -4.679  17.406   3.234
   23    HB3  HIS   4           HB1      HIS   4  -4.085  15.755   3.075
   24    HD1  HIS   4           HD1      HIS   4  -5.826  14.348   2.081
   25    HD2  HIS   4           HD2      HIS   4  -7.476  17.163   4.631
   26    HE1  HIS   4           HE1      HIS   4  -8.279  13.855   2.115
   27    HE2  HIS   4           HE2      HIS   4  -9.241  15.507   3.750
   28    H    LYS   5           HN       LYS   5  -2.935  15.441   6.976
   29    HA   LYS   5           HA       LYS   5  -0.271  16.002   5.845
   30    HB2  LYS   5           HB2      LYS   5  -0.838  17.726   7.572
   31    HB3  LYS   5           HB1      LYS   5  -1.139  16.439   8.736
   32    HG2  LYS   5           HG2      LYS   5   1.222  15.798   8.709
   33    HG3  LYS   5           HG1      LYS   5   1.558  16.971   7.427
   34    HD2  LYS   5           HD2      LYS   5   2.274  17.817   9.652
   35    HD3  LYS   5           HD1      LYS   5   1.018  18.831   8.946
   36    HE2  LYS   5           HE2      LYS   5  -0.678  17.697  10.385
   37    HE3  LYS   5           HE1      LYS   5   0.612  16.740  11.114
   38    HZ1  LYS   5           HZ1      LYS   5   1.618  18.771  11.922
   39    HZ2  LYS   5           HZ2      LYS   5   0.024  18.647  12.475
   40    HZ3  LYS   5           HZ3      LYS   5   0.398  19.695  11.200
   41    H    CYS   6           HN       CYS   6   1.358  14.467   6.669
   42    HA   CYS   6           HA       CYS   6   0.158  11.943   6.056
   43    HB2  CYS   6           HB2      CYS   6   2.234  12.760   4.963
   44    HB3  CYS   6           HB1      CYS   6   3.099  12.515   6.488
   45    H    ASN   7           HN       ASN   7   0.306  12.973   9.152
   46    HA   ASN   7           HA       ASN   7  -0.487  11.919  10.930
   47    HB2  ASN   7           HB2      ASN   7  -2.072  10.109  10.699
   48    HB3  ASN   7           HB1      ASN   7  -2.278  11.224   9.369
   49   HD21  ASN   7          HD21      ASN   7  -3.040   8.368   9.775
   50   HD22  ASN   7          HD22      ASN   7  -2.456   7.545   8.375
   51    H    VAL   8           HN       VAL   8   0.808   9.022   9.244
   52    HA   VAL   8           HA       VAL   8   1.976   7.789  11.502
   53    HB   VAL   8           HB       VAL   8   2.870   7.454   8.586
   54   HG11  VAL   8          HG11      VAL   8   3.495   5.171   9.252
   55   HG12  VAL   8          HG12      VAL   8   2.959   5.477  10.906
   56   HG13  VAL   8          HG13      VAL   8   4.346   6.353  10.249
   57   HG21  VAL   8          HG21      VAL   8   1.187   5.649   8.380
   58   HG22  VAL   8          HG22      VAL   8   0.430   7.216   8.662
   59   HG23  VAL   8          HG23      VAL   8   0.559   6.048   9.979
   60    H    CYS   9           HN       CYS   9   3.432   9.636   8.814
   61    HA   CYS   9           HA       CYS   9   5.939  10.181  10.033
   62    HB2  CYS   9           HB2      CYS   9   4.401  11.620   7.850
   63    HB3  CYS   9           HB1      CYS   9   6.021  12.080   8.339
   64    H    SER  10           HN       SER  10   2.853  11.894   9.887
   65    HA   SER  10           HA       SER  10   2.188  14.016  10.362
   66    HB2  SER  10           HB2      SER  10   2.313  14.607  12.782
   67    HB3  SER  10           HB1      SER  10   1.805  12.941  12.523
   68    HG   SER  10           HG       SER  10   4.534  13.492  12.948
   69    H    ARG  11           HN       ARG  11   3.471  15.269   8.891
   70    HA   ARG  11           HA       ARG  11   5.992  16.363   9.881
   71    HB2  ARG  11           HB2      ARG  11   5.717  14.796   7.298
   72    HB3  ARG  11           HB1      ARG  11   6.953  16.035   7.480
   73    HG2  ARG  11           HG2      ARG  11   6.669  13.549   9.195
   74    HG3  ARG  11           HG1      ARG  11   7.858  13.807   7.917
   75    HD2  ARG  11           HD2      ARG  11   7.644  15.413  10.484
   76    HD3  ARG  11           HD1      ARG  11   8.832  14.147  10.160
   77    HE   ARG  11           HE       ARG  11   8.890  16.243   8.196
   78   HH11  ARG  11          HH11      ARG  11  10.074  15.409  11.410
   79   HH12  ARG  11          HH12      ARG  11  11.421  16.496  11.309
   80   HH21  ARG  11          HH21      ARG  11  10.650  17.643   8.099
   81   HH22  ARG  11          HH22      ARG  11  11.758  17.755   9.430
   82    H    THR  12           HN       THR  12   3.890  16.392   6.926
   83    HA   THR  12           HA       THR  12   3.393  19.070   6.771
   84    HB   THR  12           HB       THR  12   5.898  19.362   6.872
   85    HG1  THR  12           HG1      THR  12   5.969  20.632   4.817
   86   HG21  THR  12          HG21      THR  12   6.613  17.312   5.674
   87   HG22  THR  12          HG22      THR  12   7.317  18.754   4.944
   88   HG23  THR  12          HG23      THR  12   5.948  17.957   4.171
   89    H    PHE  13           HN       PHE  13   3.694  19.598   4.091
   90    HA   PHE  13           HA       PHE  13   3.110  17.507   2.293
   91    HB2  PHE  13           HB2      PHE  13   0.745  18.427   1.642
   92    HB3  PHE  13           HB1      PHE  13   0.828  17.356   3.021
   93    HD1  PHE  13           HD1      PHE  13   0.563  18.292   5.346
   94    HD2  PHE  13           HD2      PHE  13   0.105  20.762   1.889
   95    HE1  PHE  13           HE1      PHE  13  -0.509  20.015   6.724
   96    HE2  PHE  13           HE2      PHE  13  -0.976  22.485   3.273
   97    HZ   PHE  13           HZ       PHE  13  -1.277  22.113   5.689
   98    H    PHE  14           HN       PHE  14   3.248  18.304   0.158
   99    HA   PHE  14           HA       PHE  14   4.250  21.008  -0.243
  100    HB2  PHE  14           HB2      PHE  14   5.195  19.142  -1.554
  101    HB3  PHE  14           HB1      PHE  14   3.610  18.736  -2.193
  102    HD1  PHE  14           HD1      PHE  14   6.282  21.341  -2.243
  103    HD2  PHE  14           HD2      PHE  14   2.775  19.830  -4.180
  104    HE1  PHE  14           HE1      PHE  14   6.694  22.823  -4.158
  105    HE2  PHE  14           HE2      PHE  14   3.202  21.312  -6.093
  106    HZ   PHE  14           HZ       PHE  14   5.156  22.813  -6.085
  107    H    SER  15           HN       SER  15   1.464  19.075  -0.962
  108    HA   SER  15           HA       SER  15  -0.444  21.213  -0.942
  109    HB2  SER  15           HB2      SER  15  -1.260  20.785  -3.292
  110    HB3  SER  15           HB1      SER  15   0.363  21.470  -3.263
  111    HG   SER  15           HG       SER  15   0.775  19.812  -4.510
  112    H    GLU  16           HN       GLU  16  -2.676  20.023  -1.857
  113    HA   GLU  16           HA       GLU  16  -3.254  17.803  -0.192
  114    HB2  GLU  16           HB2      GLU  16  -4.667  18.851  -2.685
  115    HB3  GLU  16           HB1      GLU  16  -5.314  17.563  -1.676
  116    HG2  GLU  16           HG2      GLU  16  -4.761  20.399  -0.753
  117    HG3  GLU  16           HG1      GLU  16  -6.341  19.755  -1.197
  118    H    ASN  17           HN       ASN  17  -2.500  18.019  -3.676
  119    HA   ASN  17           HA       ASN  17  -2.498  15.206  -4.219
  120    HB2  ASN  17           HB2      ASN  17  -1.139  17.480  -5.738
  121    HB3  ASN  17           HB1      ASN  17  -1.379  15.848  -6.352
  122   HD21  ASN  17          HD21      ASN  17  -2.286  18.374  -7.441
  123   HD22  ASN  17          HD22      ASN  17  -4.004  18.241  -7.574
  124    H    GLY  18           HN       GLY  18  -0.168  17.536  -3.147
  125    HA2  GLY  18           HA2      GLY  18   2.302  16.213  -3.440
  126    HA3  GLY  18           HA1      GLY  18   1.957  17.429  -2.217
  127    H    LEU  19           HN       LEU  19   0.166  16.343  -0.595
  128    HA   LEU  19           HA       LEU  19   1.487  14.575   1.081
  129    HB2  LEU  19           HB2      LEU  19  -0.420  16.221   1.545
  130    HB3  LEU  19           HB1      LEU  19  -1.524  15.029   0.915
  131    HG   LEU  19           HG       LEU  19  -1.329  15.207   3.463
  132   HD11  LEU  19          HD11      LEU  19  -0.864  12.435   2.331
  133   HD12  LEU  19          HD12      LEU  19  -2.417  13.263   2.443
  134   HD13  LEU  19          HD13      LEU  19  -1.548  12.830   3.912
  135   HD21  LEU  19          HD21      LEU  19   0.542  14.116   4.565
  136   HD22  LEU  19          HD22      LEU  19   1.113  15.453   3.576
  137   HD23  LEU  19          HD23      LEU  19   1.318  13.789   3.014
  138    H    ARG  20           HN       ARG  20  -1.187  13.960  -1.185
  139    HA   ARG  20           HA       ARG  20  -1.607  11.241  -0.559
  140    HB2  ARG  20           HB2      ARG  20  -2.291  12.737  -3.099
  141    HB3  ARG  20           HB1      ARG  20  -2.921  11.153  -2.641
  142    HG2  ARG  20           HG2      ARG  20  -3.759  12.336  -0.478
  143    HG3  ARG  20           HG1      ARG  20  -3.469  13.834  -1.361
  144    HD2  ARG  20           HD2      ARG  20  -5.304  11.586  -2.171
  145    HD3  ARG  20           HD1      ARG  20  -5.796  13.166  -1.557
  146    HE   ARG  20           HE       ARG  20  -4.351  12.819  -4.122
  147   HH11  ARG  20          HH11      ARG  20  -6.911  14.363  -2.306
  148   HH12  ARG  20          HH12      ARG  20  -7.568  15.164  -3.696
  149   HH21  ARG  20          HH21      ARG  20  -5.229  13.849  -5.922
  150   HH22  ARG  20          HH22      ARG  20  -6.627  14.860  -5.744
  151    H    GLU  21           HN       GLU  21   0.264  12.712  -3.186
  152    HA   GLU  21           HA       GLU  21   1.266  10.491  -4.486
  153    HB2  GLU  21           HB2      GLU  21   1.561  13.079  -4.950
  154    HB3  GLU  21           HB1      GLU  21   3.020  12.930  -3.988
  155    HG2  GLU  21           HG2      GLU  21   2.444  11.386  -6.548
  156    HG3  GLU  21           HG1      GLU  21   3.408  12.853  -6.448
  157    H    HIS  22           HN       HIS  22   2.490  12.128  -1.608
  158    HA   HIS  22           HA       HIS  22   4.804  10.458  -1.252
  159    HB2  HIS  22           HB2      HIS  22   5.064  12.638  -0.347
  160    HB3  HIS  22           HB1      HIS  22   3.506  12.598   0.470
  161    HD1  HIS  22           HD1      HIS  22   6.892  10.817   0.760
  162    HD2  HIS  22           HD2      HIS  22   3.659  11.988   3.062
  163    HE1  HIS  22           HE1      HIS  22   7.361   9.996   3.104
  164    H    LEU  23           HN       LEU  23   1.467  10.162  -0.318
  165    HA   LEU  23           HA       LEU  23   1.715   8.702   2.103
  166    HB2  LEU  23           HB2      LEU  23  -0.317   9.968   1.205
  167    HB3  LEU  23           HB1      LEU  23  -0.620   8.568   0.189
  168    HG   LEU  23           HG       LEU  23  -0.724   7.171   2.322
  169   HD11  LEU  23          HD11      LEU  23  -1.142   8.338   4.449
  170   HD12  LEU  23          HD12      LEU  23  -0.810   9.885   3.669
  171   HD13  LEU  23          HD13      LEU  23   0.471   8.682   3.825
  172   HD21  LEU  23          HD21      LEU  23  -2.774   7.841   1.123
  173   HD22  LEU  23          HD22      LEU  23  -2.811   9.361   2.022
  174   HD23  LEU  23          HD23      LEU  23  -3.037   7.827   2.867
  175    H    GLN  24           HN       GLN  24   1.920   7.699  -1.217
  176    HA   GLN  24           HA       GLN  24   1.302   4.981  -1.114
  177    HB2  GLN  24           HB2      GLN  24   3.378   6.353  -2.873
  178    HB3  GLN  24           HB1      GLN  24   2.664   4.776  -3.171
  179    HG2  GLN  24           HG2      GLN  24   0.442   5.816  -3.444
  180    HG3  GLN  24           HG1      GLN  24   1.153   7.399  -3.135
  181   HE21  GLN  24          HE21      GLN  24   2.495   8.339  -4.760
  182   HE22  GLN  24          HE22      GLN  24   2.470   7.764  -6.387
  183    H    THR  25           HN       THR  25   3.953   6.553   0.274
  184    HA   THR  25           HA       THR  25   5.906   4.398   0.209
  185    HB   THR  25           HB       THR  25   7.263   5.827   1.716
  186    HG1  THR  25           HG1      THR  25   5.730   8.057   1.623
  187   HG21  THR  25          HG21      THR  25   6.081   7.403  -0.590
  188   HG22  THR  25          HG22      THR  25   7.416   6.260  -0.714
  189   HG23  THR  25          HG23      THR  25   7.618   7.751   0.209
  190    H    HIS  26           HN       HIS  26   3.087   4.697   1.870
  191    HA   HIS  26           HA       HIS  26   3.997   3.142   4.247
  192    HB2  HIS  26           HB2      HIS  26   1.662   5.112   4.199
  193    HB3  HIS  26           HB1      HIS  26   2.285   4.248   5.606
  194    HD1  HIS  26           HD1      HIS  26   4.708   4.999   6.412
  195    HD2  HIS  26           HD2      HIS  26   2.882   7.466   3.633
  196    HE1  HIS  26           HE1      HIS  26   6.061   7.109   6.340
  197    H    ARG  27           HN       ARG  27   1.765   3.527   1.648
  198    HA   ARG  27           HA       ARG  27  -0.340   1.854   2.356
  199    HB2  ARG  27           HB2      ARG  27  -0.303   3.406   0.409
  200    HB3  ARG  27           HB1      ARG  27   0.832   2.340  -0.409
  201    HG2  ARG  27           HG2      ARG  27  -0.928   0.536  -0.336
  202    HG3  ARG  27           HG1      ARG  27  -2.051   1.742   0.304
  203    HD2  ARG  27           HD2      ARG  27  -2.334   1.456  -2.121
  204    HD3  ARG  27           HD1      ARG  27  -1.782   3.091  -1.733
  205    HE   ARG  27           HE       ARG  27   0.456   1.448  -2.258
  206   HH11  ARG  27          HH11      ARG  27  -2.215   2.910  -4.019
  207   HH12  ARG  27          HH12      ARG  27  -1.320   3.009  -5.503
  208   HH21  ARG  27          HH21      ARG  27   1.590   1.586  -4.197
  209   HH22  ARG  27          HH22      ARG  27   0.823   2.248  -5.606
  210    H    GLY  28           HN       GLY  28   2.654   1.100   0.590
  211    HA2  GLY  28           HA2      GLY  28   2.371  -1.800   1.193
  212    HA3  GLY  28           HA1      GLY  28   3.401  -1.074  -0.032
  213    HA   PRO  29           HA       PRO  29   6.376  -1.634   3.441
  214    HB2  PRO  29           HB2      PRO  29   8.549  -2.215   1.922
  215    HB3  PRO  29           HB1      PRO  29   7.292  -3.415   2.247
  216    HG2  PRO  29           HG2      PRO  29   7.669  -1.696  -0.197
  217    HG3  PRO  29           HG1      PRO  29   7.329  -3.439  -0.100
  218    HD2  PRO  29           HD2      PRO  29   5.373  -1.563  -0.552
  219    HD3  PRO  29           HD1      PRO  29   5.048  -3.095   0.281
  220    H    ALA  30           HN       ALA  30   8.287  -0.438   4.027
  221    HA   ALA  30           HA       ALA  30   8.648   2.198   2.687
  222    HB1  ALA  30           HB1      ALA  30   9.385   3.032   4.907
  223    HB2  ALA  30           HB2      ALA  30   9.091   1.439   5.608
  224    HB3  ALA  30           HB3      ALA  30   7.744   2.394   4.985
  225    H    LYS  31           HN       LYS  31   9.863  -0.076   1.682
  226    HA   LYS  31           HA       LYS  31  12.206  -0.947   2.963
  227    HB2  LYS  31           HB2      LYS  31  10.774  -2.201   1.242
  228    HB3  LYS  31           HB1      LYS  31  11.572  -1.252   0.002
  229    HG2  LYS  31           HG2      LYS  31  12.830  -3.192  -0.063
  230    HG3  LYS  31           HG1      LYS  31  13.790  -2.231   1.058
  231    HD2  LYS  31           HD2      LYS  31  11.782  -4.388   1.829
  232    HD3  LYS  31           HD1      LYS  31  13.529  -4.588   1.785
  233    HE2  LYS  31           HE2      LYS  31  13.703  -2.824   3.570
  234    HE3  LYS  31           HE1      LYS  31  11.944  -2.822   3.679
  235    HZ1  LYS  31           HZ1      LYS  31  13.737  -5.120   4.218
  236    HZ2  LYS  31           HZ2      LYS  31  12.051  -5.177   4.272
  237    HZ3  LYS  31           HZ3      LYS  31  12.899  -4.210   5.365
  238    H    HIS  32           HN       HIS  32  14.323  -0.390   2.794
  239    HA   HIS  32           HA       HIS  32  14.906   2.289   2.010
  240    HB2  HIS  32           HB2      HIS  32  16.754   0.077   2.981
  241    HB3  HIS  32           HB1      HIS  32  17.267   1.748   2.724
  242    HD1  HIS  32           HD1      HIS  32  17.404   0.405   5.550
  243    HD2  HIS  32           HD2      HIS  32  14.244   2.747   4.211
  244    HE1  HIS  32           HE1      HIS  32  16.295   1.299   7.620
  245    HE2  HIS  32           HE2      HIS  32  14.322   2.624   6.785
  246    H    TYR  33           HN       TYR  33  15.600  -0.857   0.531
  247    HA   TYR  33           HA       TYR  33  15.642   0.617  -2.002
  248    HB2  TYR  33           HB2      TYR  33  18.079  -0.350  -1.113
  249    HB3  TYR  33           HB1      TYR  33  17.492  -1.758  -1.963
  250    HD1  TYR  33           HD2      TYR  33  16.478  -1.250  -4.425
  251    HD2  TYR  33           HD1      TYR  33  19.315   1.235  -2.403
  252    HE1  TYR  33           HE2      TYR  33  17.180  -0.289  -6.570
  253    HE2  TYR  33           HE1      TYR  33  20.002   2.194  -4.552
  254    HH   TYR  33           HH       TYR  33  18.238   1.872  -7.358
  255    H    MET  34           HN       MET  34  13.844  -0.109  -2.976
  256    HA   MET  34           HA       MET  34  13.179  -2.994  -2.964
  257    HB2  MET  34           HB2      MET  34  11.305  -1.356  -2.720
  258    HB3  MET  34           HB1      MET  34  11.735  -0.621  -4.259
  259    HG2  MET  34           HG2      MET  34  11.201  -2.749  -5.410
  260    HG3  MET  34           HG1      MET  34  10.741  -3.463  -3.864
  261    HE1  MET  34           HE1      MET  34   9.200  -1.013  -2.426
  262    HE2  MET  34           HE2      MET  34   8.587  -2.667  -2.451
  263    HE3  MET  34           HE3      MET  34   7.547  -1.334  -2.946
  264    H    CYS  35           HN       CYS  35  13.987  -4.239  -4.595
  265    HA   CYS  35           HA       CYS  35  16.072  -3.219  -6.203
  266    HB2  CYS  35           HB2      CYS  35  15.757  -5.528  -5.144
  267    HB3  CYS  35           HB1      CYS  35  14.703  -5.897  -6.478
  268    HA   PRO  36           HA       PRO  36  13.650  -1.495  -9.583
  269    HB2  PRO  36           HB2      PRO  36  15.547  -1.761 -11.658
  270    HB3  PRO  36           HB1      PRO  36  15.443  -0.415 -10.515
  271    HG2  PRO  36           HG2      PRO  36  17.184  -2.874 -10.401
  272    HG3  PRO  36           HG1      PRO  36  17.597  -1.185 -10.027
  273    HD2  PRO  36           HD2      PRO  36  17.144  -2.927  -8.056
  274    HD3  PRO  36           HD1      PRO  36  16.521  -1.263  -7.930
  275    H    ILE  37           HN       ILE  37  15.352  -4.574 -10.483
  276    HA   ILE  37           HA       ILE  37  13.458  -5.095 -12.618
  277    HB   ILE  37           HB       ILE  37  15.720  -6.811 -11.499
  278   HG12  ILE  37          HG12      ILE  37  15.751  -4.987 -13.960
  279   HG13  ILE  37          HG11      ILE  37  16.469  -4.578 -12.409
  280   HG21  ILE  37          HG21      ILE  37  14.220  -7.057 -14.138
  281   HG22  ILE  37          HG22      ILE  37  14.091  -8.154 -12.764
  282   HG23  ILE  37          HG23      ILE  37  15.608  -8.032 -13.647
  283   HD11  ILE  37          HD11      ILE  37  18.024  -6.463 -12.636
  284   HD12  ILE  37          HD12      ILE  37  18.154  -5.302 -13.958
  285   HD13  ILE  37          HD13      ILE  37  17.321  -6.834 -14.217
  286    H    CYS  38           HN       CYS  38  14.304  -6.753  -9.493
  287    HA   CYS  38           HA       CYS  38  12.018  -8.555  -9.895
  288    HB2  CYS  38           HB2      CYS  38  13.084 -10.096  -8.431
  289    HB3  CYS  38           HB1      CYS  38  14.326  -9.493  -9.509
  290    H    GLY  39           HN       GLY  39  13.283  -6.267  -7.443
  291    HA2  GLY  39           HA2      GLY  39  12.189  -4.930  -6.000
  292    HA3  GLY  39           HA1      GLY  39  10.670  -5.510  -6.667
  293    H    GLU  40           HN       GLU  40  12.964  -7.719  -5.296
  294    HA   GLU  40           HA       GLU  40  11.244  -8.678  -3.265
  295    HB2  GLU  40           HB2      GLU  40  14.242  -9.072  -3.600
  296    HB3  GLU  40           HB1      GLU  40  13.190 -10.040  -2.574
  297    HG2  GLU  40           HG2      GLU  40  11.966 -10.870  -4.522
  298    HG3  GLU  40           HG1      GLU  40  12.902  -9.826  -5.590
  299    H    ARG  41           HN       ARG  41  11.814  -8.802  -0.918
  300    HA   ARG  41           HA       ARG  41  12.479  -6.156   0.160
  301    HB2  ARG  41           HB2      ARG  41  11.450  -8.580   1.698
  302    HB3  ARG  41           HB1      ARG  41  11.428  -6.898   2.217
  303    HG2  ARG  41           HG2      ARG  41   9.762  -8.123  -0.000
  304    HG3  ARG  41           HG1      ARG  41   9.190  -7.652   1.598
  305    HD2  ARG  41           HD2      ARG  41   9.618  -5.294   1.091
  306    HD3  ARG  41           HD1      ARG  41  10.303  -5.725  -0.482
  307    HE   ARG  41           HE       ARG  41   7.478  -6.256   0.257
  308   HH11  ARG  41          HH11      ARG  41   9.806  -5.060  -2.072
  309   HH12  ARG  41          HH12      ARG  41   8.615  -4.797  -3.303
  310   HH21  ARG  41          HH21      ARG  41   5.933  -5.886  -1.353
  311   HH22  ARG  41          HH22      ARG  41   6.423  -5.254  -2.894
  312    H    PHE  42           HN       PHE  42  14.492  -5.776   0.904
  313    HA   PHE  42           HA       PHE  42  16.172  -8.003   1.901
  314    HB2  PHE  42           HB2      PHE  42  17.068  -5.274   0.855
  315    HB3  PHE  42           HB1      PHE  42  18.117  -6.620   1.300
  316    HD1  PHE  42           HD2      PHE  42  18.138  -8.711  -0.067
  317    HD2  PHE  42           HD1      PHE  42  15.918  -5.271  -1.307
  318    HE1  PHE  42           HE2      PHE  42  17.896  -9.675  -2.315
  319    HE2  PHE  42           HE1      PHE  42  15.665  -6.252  -3.542
  320    HZ   PHE  42           HZ       PHE  42  16.654  -8.448  -4.053
  321    HA   PRO  43           HA       PRO  43  15.743  -6.487   6.060
  322    HB2  PRO  43           HB2      PRO  43  18.338  -6.981   7.040
  323    HB3  PRO  43           HB1      PRO  43  17.034  -8.172   6.950
  324    HG2  PRO  43           HG2      PRO  43  19.280  -7.670   5.001
  325    HG3  PRO  43           HG1      PRO  43  18.631  -9.217   5.589
  326    HD2  PRO  43           HD2      PRO  43  17.963  -8.314   3.167
  327    HD3  PRO  43           HD1      PRO  43  16.732  -9.090   4.191
  328    H    SER  44           HN       SER  44  18.519  -5.332   4.184
  329    HA   SER  44           HA       SER  44  18.020  -2.591   4.887
  330    HB2  SER  44           HB2      SER  44  19.368  -3.398   6.876
  331    HB3  SER  44           HB1      SER  44  20.703  -3.732   5.784
  332    HG   SER  44           HG       SER  44  20.674  -1.633   6.920
  333    H    LEU  45           HN       LEU  45  20.133  -1.304   4.017
  334    HA   LEU  45           HA       LEU  45  20.182  -2.020   1.152
  335    HB2  LEU  45           HB2      LEU  45  19.501   0.329   2.286
  336    HB3  LEU  45           HB1      LEU  45  21.227   0.616   2.212
  337    HG   LEU  45           HG       LEU  45  19.493  -0.018  -0.215
  338   HD11  LEU  45          HD11      LEU  45  18.804   2.118   0.761
  339   HD12  LEU  45          HD12      LEU  45  19.616   2.371  -0.780
  340   HD13  LEU  45          HD13      LEU  45  20.473   2.693   0.730
  341   HD21  LEU  45          HD21      LEU  45  21.382   0.801  -1.564
  342   HD22  LEU  45          HD22      LEU  45  21.855  -0.587  -0.587
  343   HD23  LEU  45          HD23      LEU  45  22.338   1.037  -0.096
  344    H    LEU  46           HN       LEU  46  21.706  -3.751   2.229
  345    HA   LEU  46           HA       LEU  46  24.436  -3.028   1.421
  346    HB2  LEU  46           HB2      LEU  46  23.885  -4.715   3.912
  347    HB3  LEU  46           HB1      LEU  46  25.455  -4.448   3.180
  348    HG   LEU  46           HG       LEU  46  24.990  -1.899   3.735
  349   HD11  LEU  46          HD11      LEU  46  23.167  -3.207   5.774
  350   HD12  LEU  46          HD12      LEU  46  22.670  -2.129   4.473
  351   HD13  LEU  46          HD13      LEU  46  23.681  -1.515   5.776
  352   HD21  LEU  46          HD21      LEU  46  25.744  -3.876   5.912
  353   HD22  LEU  46          HD22      LEU  46  26.086  -2.145   5.926
  354   HD23  LEU  46          HD23      LEU  46  26.830  -3.176   4.710
  355    H    THR  47           HN       THR  47  22.226  -5.601   2.479
  356    HA   THR  47           HA       THR  47  23.247  -7.711   0.925
  357    HB   THR  47           HB       THR  47  20.927  -8.751   1.208
  358    HG1  THR  47           HG1      THR  47  19.358  -7.574   2.004
  359   HG21  THR  47          HG21      THR  47  22.264  -7.697   3.732
  360   HG22  THR  47          HG22      THR  47  22.696  -9.177   2.874
  361   HG23  THR  47          HG23      THR  47  21.123  -9.037   3.660
  362    H    LEU  48           HN       LEU  48  20.993  -5.095   0.076
  363    HA   LEU  48           HA       LEU  48  20.168  -6.011  -2.456
  364    HB2  LEU  48           HB2      LEU  48  19.251  -3.934  -1.272
  365    HB3  LEU  48           HB1      LEU  48  20.730  -3.105  -1.704
  366    HG   LEU  48           HG       LEU  48  18.636  -2.624  -3.139
  367   HD11  LEU  48          HD11      LEU  48  19.824  -2.350  -5.233
  368   HD12  LEU  48          HD12      LEU  48  21.109  -3.424  -4.676
  369   HD13  LEU  48          HD13      LEU  48  20.839  -1.876  -3.872
  370   HD21  LEU  48          HD21      LEU  48  19.256  -5.319  -4.362
  371   HD22  LEU  48          HD22      LEU  48  18.090  -4.141  -4.974
  372   HD23  LEU  48          HD23      LEU  48  17.827  -4.907  -3.413
  373    H    THR  49           HN       THR  49  23.094  -4.287  -1.437
  374    HA   THR  49           HA       THR  49  24.150  -3.710  -4.006
  375    HB   THR  49           HB       THR  49  25.745  -4.020  -1.417
  376    HG1  THR  49           HG1      THR  49  25.176  -1.812  -1.060
  377   HG21  THR  49          HG21      THR  49  26.155  -2.203  -3.832
  378   HG22  THR  49          HG22      THR  49  27.109  -3.635  -3.443
  379   HG23  THR  49          HG23      THR  49  27.160  -2.230  -2.382
  380    H    GLU  50           HN       GLU  50  24.755  -6.281  -1.671
  381    HA   GLU  50           HA       GLU  50  26.638  -7.827  -3.102
  382    HB2  GLU  50           HB2      GLU  50  24.580  -8.831  -1.085
  383    HB3  GLU  50           HB1      GLU  50  26.091  -9.619  -1.519
  384    HG2  GLU  50           HG2      GLU  50  25.812  -6.980  -0.058
  385    HG3  GLU  50           HG1      GLU  50  26.253  -8.525   0.661
  386    H    HIS  51           HN       HIS  51  23.099  -7.911  -3.020
  387    HA   HIS  51           HA       HIS  51  22.733 -10.309  -4.491
  388    HB2  HIS  51           HB2      HIS  51  20.961  -9.819  -3.070
  389    HB3  HIS  51           HB1      HIS  51  20.976  -8.105  -3.442
  390    HD1  HIS  51           HD1      HIS  51  19.607 -11.378  -4.731
  391    HD2  HIS  51           HD2      HIS  51  19.302  -7.295  -5.443
  392    HE1  HIS  51           HE1      HIS  51  17.626 -11.063  -6.275
  393    H    LYS  52           HN       LYS  52  22.525  -6.903  -5.470
  394    HA   LYS  52           HA       LYS  52  21.079  -7.121  -7.795
  395    HB2  LYS  52           HB2      LYS  52  21.996  -4.886  -8.412
  396    HB3  LYS  52           HB1      LYS  52  21.457  -4.979  -6.742
  397    HG2  LYS  52           HG2      LYS  52  23.825  -5.280  -6.030
  398    HG3  LYS  52           HG1      LYS  52  24.333  -5.061  -7.703
  399    HD2  LYS  52           HD2      LYS  52  22.740  -2.956  -6.190
  400    HD3  LYS  52           HD1      LYS  52  24.499  -3.022  -6.134
  401    HE2  LYS  52           HE2      LYS  52  23.814  -1.383  -7.776
  402    HE3  LYS  52           HE1      LYS  52  24.562  -2.744  -8.608
  403    HZ1  LYS  52           HZ1      LYS  52  22.573  -1.920  -9.707
  404    HZ2  LYS  52           HZ2      LYS  52  21.641  -2.301  -8.354
  405    HZ3  LYS  52           HZ3      LYS  52  22.398  -3.529  -9.236
  406    H    VAL  53           HN       VAL  53  24.512  -7.649  -7.420
  407    HA   VAL  53           HA       VAL  53  25.388  -7.455 -10.084
  408    HB   VAL  53           HB       VAL  53  27.391  -8.666  -9.370
  409   HG11  VAL  53          HG11      VAL  53  28.087  -7.264  -7.452
  410   HG12  VAL  53          HG12      VAL  53  26.402  -6.815  -7.172
  411   HG13  VAL  53          HG13      VAL  53  27.210  -6.326  -8.662
  412   HG21  VAL  53          HG21      VAL  53  26.393 -10.515  -8.103
  413   HG22  VAL  53          HG22      VAL  53  25.868  -9.400  -6.841
  414   HG23  VAL  53          HG23      VAL  53  27.590  -9.684  -7.109
  415    H    THR  54           HN       THR  54  23.603  -9.991  -8.521
  416    HA   THR  54           HA       THR  54  24.388 -12.110 -10.339
  417    HB   THR  54           HB       THR  54  22.904 -13.577  -9.041
  418    HG1  THR  54           HG1      THR  54  21.814 -11.173  -8.225
  419   HG21  THR  54          HG21      THR  54  23.989 -13.384  -6.820
  420   HG22  THR  54          HG22      THR  54  24.564 -11.769  -7.235
  421   HG23  THR  54          HG23      THR  54  25.161 -13.173  -8.123
  422    H    HIS  55           HN       HIS  55  22.300  -9.590 -10.827
  423    HA   HIS  55           HA       HIS  55  20.144 -10.981 -12.172
  424    HB2  HIS  55           HB2      HIS  55  20.933  -8.084 -11.827
  425    HB3  HIS  55           HB1      HIS  55  19.842  -8.487 -13.139
  426    HD1  HIS  55           HD1      HIS  55  17.496  -9.534 -12.434
  427    HD2  HIS  55           HD2      HIS  55  19.769  -7.949  -9.338
  428    HE1  HIS  55           HE1      HIS  55  15.910  -9.167 -10.506
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  -5.874  26.490   3.309
    2    H2   MET   1           HT2      MET   1  -4.686  25.302   3.470
    3    H3   MET   1           HT3      MET   1  -6.282  24.965   3.907
    4    HA   MET   1           HA       MET   1  -6.996  25.231   1.622
    5    HB2  MET   1           HB2      MET   1  -4.004  25.562   1.112
    6    HB3  MET   1           HB1      MET   1  -5.200  25.353  -0.159
    7    HG2  MET   1           HG2      MET   1  -4.554  27.680  -0.005
    8    HG3  MET   1           HG1      MET   1  -6.236  27.516   0.506
    9    HE1  MET   1           HE1      MET   1  -4.258  30.057   1.082
   10    HE2  MET   1           HE2      MET   1  -4.722  30.437   2.739
   11    HE3  MET   1           HE3      MET   1  -5.964  30.032   1.555
   12    H    GLY   2           HN       GLY   2  -6.112  23.550  -0.231
   13    HA2  GLY   2           HA2      GLY   2  -6.259  20.927   0.767
   14    HA3  GLY   2           HA1      GLY   2  -5.713  21.378  -0.842
   15    H    SER   3           HN       SER   3  -4.751  20.481   2.343
   16    HA   SER   3           HA       SER   3  -2.095  19.718   1.676
   17    HB2  SER   3           HB2      SER   3  -1.007  21.285   3.401
   18    HB3  SER   3           HB1      SER   3  -1.541  22.078   1.920
   19    HG   SER   3           HG       SER   3  -3.604  22.188   3.481
   20    H    HIS   4           HN       HIS   4  -2.288  17.686   2.772
   21    HA   HIS   4           HA       HIS   4  -3.825  17.652   5.279
   22    HB2  HIS   4           HB2      HIS   4  -4.035  16.042   2.960
   23    HB3  HIS   4           HB1      HIS   4  -3.187  15.011   4.095
   24    HD1  HIS   4           HD1      HIS   4  -6.489  15.936   3.079
   25    HD2  HIS   4           HD2      HIS   4  -4.729  14.843   6.680
   26    HE1  HIS   4           HE1      HIS   4  -8.379  15.210   4.566
   27    HE2  HIS   4           HE2      HIS   4  -7.285  14.517   6.727
   28    H    LYS   5           HN       LYS   5  -3.032  15.934   6.837
   29    HA   LYS   5           HA       LYS   5  -0.088  16.130   7.128
   30    HB2  LYS   5           HB2      LYS   5  -1.455  17.299   8.870
   31    HB3  LYS   5           HB1      LYS   5  -2.215  15.771   9.288
   32    HG2  LYS   5           HG2      LYS   5   0.055  14.892   9.913
   33    HG3  LYS   5           HG1      LYS   5   0.712  16.506   9.639
   34    HD2  LYS   5           HD2      LYS   5  -1.406  15.753  11.699
   35    HD3  LYS   5           HD1      LYS   5   0.292  16.073  12.040
   36    HE2  LYS   5           HE2      LYS   5  -0.872  18.053  12.659
   37    HE3  LYS   5           HE1      LYS   5  -0.107  18.431  11.121
   38    HZ1  LYS   5           HZ1      LYS   5  -2.927  17.545  11.330
   39    HZ2  LYS   5           HZ2      LYS   5  -2.163  18.277  10.011
   40    HZ3  LYS   5           HZ3      LYS   5  -2.473  19.170  11.409
   41    H    CYS   6           HN       CYS   6   0.857  14.244   6.565
   42    HA   CYS   6           HA       CYS   6  -0.315  11.648   6.782
   43    HB2  CYS   6           HB2      CYS   6   1.542  12.176   5.203
   44    HB3  CYS   6           HB1      CYS   6   2.615  12.433   6.560
   45    H    ASN   7           HN       ASN   7  -1.092  11.460   8.896
   46    HA   ASN   7           HA       ASN   7   0.132  12.059  11.305
   47    HB2  ASN   7           HB2      ASN   7  -1.759   9.726  10.796
   48    HB3  ASN   7           HB1      ASN   7  -1.481  10.518  12.345
   49   HD21  ASN   7          HD21      ASN   7  -2.277  12.648  12.643
   50   HD22  ASN   7          HD22      ASN   7  -3.554  13.282  11.667
   51    H    VAL   8           HN       VAL   8   0.581   9.214   9.300
   52    HA   VAL   8           HA       VAL   8   1.889   7.431  11.010
   53    HB   VAL   8           HB       VAL   8   2.559   7.857   8.061
   54   HG11  VAL   8          HG11      VAL   8   3.081   5.441   8.046
   55   HG12  VAL   8          HG12      VAL   8   2.761   5.344   9.781
   56   HG13  VAL   8          HG13      VAL   8   4.110   6.314   9.181
   57   HG21  VAL   8          HG21      VAL   8   0.284   6.217   9.243
   58   HG22  VAL   8          HG22      VAL   8   0.749   6.242   7.536
   59   HG23  VAL   8          HG23      VAL   8   0.140   7.706   8.308
   60    H    CYS   9           HN       CYS   9   3.186  10.037   9.034
   61    HA   CYS   9           HA       CYS   9   5.918   9.839  10.077
   62    HB2  CYS   9           HB2      CYS   9   4.588  11.691   8.070
   63    HB3  CYS   9           HB1      CYS   9   6.266  11.834   8.560
   64    H    SER  10           HN       SER  10   3.036  11.544  10.633
   65    HA   SER  10           HA       SER  10   2.247  13.031  12.092
   66    HB2  SER  10           HB2      SER  10   5.047  13.123  13.280
   67    HB3  SER  10           HB1      SER  10   3.617  13.877  13.994
   68    HG   SER  10           HG       SER  10   2.778  11.537  13.723
   69    H    ARG  11           HN       ARG  11   3.977  13.670   9.546
   70    HA   ARG  11           HA       ARG  11   4.125  16.610   9.941
   71    HB2  ARG  11           HB2      ARG  11   5.795  14.839   8.106
   72    HB3  ARG  11           HB1      ARG  11   5.835  16.601   8.102
   73    HG2  ARG  11           HG2      ARG  11   6.567  16.509  10.519
   74    HG3  ARG  11           HG1      ARG  11   6.717  14.757  10.347
   75    HD2  ARG  11           HD2      ARG  11   8.389  15.065   8.578
   76    HD3  ARG  11           HD1      ARG  11   8.223  16.822   8.694
   77    HE   ARG  11           HE       ARG  11   9.124  15.196  11.004
   78   HH11  ARG  11          HH11      ARG  11   9.677  17.889   8.799
   79   HH12  ARG  11          HH12      ARG  11  11.121  18.402   9.608
   80   HH21  ARG  11          HH21      ARG  11  11.009  15.920  12.053
   81   HH22  ARG  11          HH22      ARG  11  11.868  17.295  11.432
   82    H    THR  12           HN       THR  12   4.108  17.655   7.606
   83    HA   THR  12           HA       THR  12   1.577  16.779   6.326
   84    HB   THR  12           HB       THR  12   1.211  18.714   7.898
   85    HG1  THR  12           HG1      THR  12   0.868  19.632   5.227
   86   HG21  THR  12          HG21      THR  12   3.396  19.863   7.657
   87   HG22  THR  12          HG22      THR  12   2.054  20.957   7.327
   88   HG23  THR  12          HG23      THR  12   2.984  20.282   5.987
   89    H    PHE  13           HN       PHE  13   1.363  17.276   4.125
   90    HA   PHE  13           HA       PHE  13   3.700  18.424   2.699
   91    HB2  PHE  13           HB2      PHE  13   2.406  16.120   2.026
   92    HB3  PHE  13           HB1      PHE  13   1.350  17.238   1.195
   93    HD1  PHE  13           HD1      PHE  13   2.346  18.756  -0.621
   94    HD2  PHE  13           HD2      PHE  13   4.538  15.518   1.116
   95    HE1  PHE  13           HE1      PHE  13   3.877  18.737  -2.549
   96    HE2  PHE  13           HE2      PHE  13   6.063  15.516  -0.813
   97    HZ   PHE  13           HZ       PHE  13   5.729  17.122  -2.654
   98    H    PHE  14           HN       PHE  14   3.426  20.431   1.703
   99    HA   PHE  14           HA       PHE  14   1.202  22.036   2.507
  100    HB2  PHE  14           HB2      PHE  14   3.314  22.766   0.443
  101    HB3  PHE  14           HB1      PHE  14   2.334  23.867   1.402
  102    HD1  PHE  14           HD2      PHE  14   2.624  23.575   4.068
  103    HD2  PHE  14           HD1      PHE  14   5.513  22.377   1.146
  104    HE1  PHE  14           HE2      PHE  14   4.392  23.673   5.770
  105    HE2  PHE  14           HE1      PHE  14   7.279  22.473   2.863
  106    HZ   PHE  14           HZ       PHE  14   6.726  23.121   5.169
  107    H    SER  15           HN       SER  15   1.343  19.819   0.003
  108    HA   SER  15           HA       SER  15  -1.007  21.046  -1.301
  109    HB2  SER  15           HB2      SER  15   1.185  19.429  -2.671
  110    HB3  SER  15           HB1      SER  15  -0.249  20.119  -3.437
  111    HG   SER  15           HG       SER  15   0.816  22.134  -2.249
  112    H    GLU  16           HN       GLU  16  -2.737  19.716  -1.517
  113    HA   GLU  16           HA       GLU  16  -3.083  17.547   0.193
  114    HB2  GLU  16           HB2      GLU  16  -4.901  19.045  -0.653
  115    HB3  GLU  16           HB1      GLU  16  -4.783  18.292  -2.230
  116    HG2  GLU  16           HG2      GLU  16  -6.719  17.474  -0.960
  117    HG3  GLU  16           HG1      GLU  16  -5.582  16.173  -1.327
  118    H    ASN  17           HN       ASN  17  -3.001  17.454  -3.391
  119    HA   ASN  17           HA       ASN  17  -3.043  14.602  -3.579
  120    HB2  ASN  17           HB2      ASN  17  -2.198  16.638  -5.683
  121    HB3  ASN  17           HB1      ASN  17  -2.518  14.932  -5.991
  122   HD21  ASN  17          HD21      ASN  17  -4.191  15.359  -7.466
  123   HD22  ASN  17          HD22      ASN  17  -5.705  16.038  -6.995
  124    H    GLY  18           HN       GLY  18  -0.567  16.894  -3.018
  125    HA2  GLY  18           HA2      GLY  18   1.718  15.344  -3.834
  126    HA3  GLY  18           HA1      GLY  18   1.713  16.774  -2.804
  127    H    LEU  19           HN       LEU  19   0.002  15.894  -0.717
  128    HA   LEU  19           HA       LEU  19   1.510  14.188   0.911
  129    HB2  LEU  19           HB2      LEU  19  -0.297  15.887   1.573
  130    HB3  LEU  19           HB1      LEU  19  -1.488  14.694   1.149
  131    HG   LEU  19           HG       LEU  19  -1.021  14.947   3.625
  132   HD11  LEU  19          HD11      LEU  19  -1.078  12.593   4.208
  133   HD12  LEU  19          HD12      LEU  19  -0.556  12.155   2.576
  134   HD13  LEU  19          HD13      LEU  19  -2.120  12.935   2.827
  135   HD21  LEU  19          HD21      LEU  19   1.632  13.629   2.994
  136   HD22  LEU  19          HD22      LEU  19   0.983  13.973   4.600
  137   HD23  LEU  19          HD23      LEU  19   1.392  15.298   3.518
  138    H    ARG  20           HN       ARG  20  -1.427  13.573  -0.952
  139    HA   ARG  20           HA       ARG  20  -1.700  10.812  -0.505
  140    HB2  ARG  20           HB2      ARG  20  -2.504  12.387  -2.988
  141    HB3  ARG  20           HB1      ARG  20  -3.165  10.824  -2.505
  142    HG2  ARG  20           HG2      ARG  20  -3.449  13.422  -0.950
  143    HG3  ARG  20           HG1      ARG  20  -4.687  12.692  -1.972
  144    HD2  ARG  20           HD2      ARG  20  -4.865  10.779  -0.482
  145    HD3  ARG  20           HD1      ARG  20  -3.504  11.354   0.482
  146    HE   ARG  20           HE       ARG  20  -4.908  12.729   1.605
  147   HH11  ARG  20          HH11      ARG  20  -6.556  11.970  -1.428
  148   HH12  ARG  20          HH12      ARG  20  -8.034  12.734  -0.936
  149   HH21  ARG  20          HH21      ARG  20  -6.853  13.653   2.231
  150   HH22  ARG  20          HH22      ARG  20  -8.207  13.677   1.149
  151    H    GLU  21           HN       GLU  21   0.274  12.569  -2.834
  152    HA   GLU  21           HA       GLU  21   1.195  10.284  -4.291
  153    HB2  GLU  21           HB2      GLU  21   1.138  12.583  -5.247
  154    HB3  GLU  21           HB1      GLU  21   2.374  13.085  -4.101
  155    HG2  GLU  21           HG2      GLU  21   3.957  11.487  -5.141
  156    HG3  GLU  21           HG1      GLU  21   2.712  11.021  -6.303
  157    H    HIS  22           HN       HIS  22   2.322  12.141  -1.510
  158    HA   HIS  22           HA       HIS  22   4.821  10.860  -1.090
  159    HB2  HIS  22           HB2      HIS  22   4.583  12.916   0.073
  160    HB3  HIS  22           HB1      HIS  22   2.959  12.531   0.628
  161    HD1  HIS  22           HD1      HIS  22   6.571  11.578   1.362
  162    HD2  HIS  22           HD2      HIS  22   2.813  11.457   3.126
  163    HE1  HIS  22           HE1      HIS  22   6.914  10.706   3.705
  164    H    LEU  23           HN       LEU  23   1.524  10.177  -0.132
  165    HA   LEU  23           HA       LEU  23   1.906   8.169   1.756
  166    HB2  LEU  23           HB2      LEU  23  -0.231   9.578   0.766
  167    HB3  LEU  23           HB1      LEU  23  -0.531   8.026   0.022
  168    HG   LEU  23           HG       LEU  23  -0.257   8.501   3.013
  169   HD11  LEU  23          HD11      LEU  23  -2.255   9.595   2.134
  170   HD12  LEU  23          HD12      LEU  23  -2.687   8.214   3.139
  171   HD13  LEU  23          HD13      LEU  23  -2.774   8.085   1.380
  172   HD21  LEU  23          HD21      LEU  23  -1.147   6.002   1.539
  173   HD22  LEU  23          HD22      LEU  23  -1.149   6.227   3.291
  174   HD23  LEU  23          HD23      LEU  23   0.376   6.212   2.409
  175    H    GLN  24           HN       GLN  24   2.161   8.089  -1.712
  176    HA   GLN  24           HA       GLN  24   1.715   5.376  -2.237
  177    HB2  GLN  24           HB2      GLN  24   3.509   7.296  -3.734
  178    HB3  GLN  24           HB1      GLN  24   2.863   5.781  -4.356
  179    HG2  GLN  24           HG2      GLN  24   1.255   8.239  -3.594
  180    HG3  GLN  24           HG1      GLN  24   1.618   7.677  -5.212
  181   HE21  GLN  24          HE21      GLN  24  -0.946   8.149  -3.878
  182   HE22  GLN  24          HE22      GLN  24  -1.831   6.676  -4.035
  183    H    THR  25           HN       THR  25   4.361   6.855  -0.598
  184    HA   THR  25           HA       THR  25   6.290   4.753  -1.112
  185    HB   THR  25           HB       THR  25   6.983   7.155  -0.632
  186    HG1  THR  25           HG1      THR  25   8.149   4.877  -0.118
  187   HG21  THR  25          HG21      THR  25   6.490   6.294   2.237
  188   HG22  THR  25          HG22      THR  25   5.536   7.490   1.370
  189   HG23  THR  25          HG23      THR  25   7.235   7.805   1.710
  190    H    HIS  26           HN       HIS  26   3.724   5.306   1.065
  191    HA   HIS  26           HA       HIS  26   4.532   3.318   3.060
  192    HB2  HIS  26           HB2      HIS  26   2.025   5.054   2.847
  193    HB3  HIS  26           HB1      HIS  26   2.370   3.947   4.173
  194    HD1  HIS  26           HD1      HIS  26   4.477   4.596   5.702
  195    HD2  HIS  26           HD2      HIS  26   3.129   7.556   3.110
  196    HE1  HIS  26           HE1      HIS  26   5.417   6.772   6.558
  197    H    ARG  27           HN       ARG  27   4.336   2.091   0.603
  198    HA   ARG  27           HA       ARG  27   1.587   1.299  -0.026
  199    HB2  ARG  27           HB2      ARG  27   2.555   0.288  -2.056
  200    HB3  ARG  27           HB1      ARG  27   3.086   1.954  -1.864
  201    HG2  ARG  27           HG2      ARG  27   5.269   1.166  -1.003
  202    HG3  ARG  27           HG1      ARG  27   4.743  -0.507  -1.214
  203    HD2  ARG  27           HD2      ARG  27   6.145   0.144  -3.094
  204    HD3  ARG  27           HD1      ARG  27   4.486  -0.080  -3.665
  205    HE   ARG  27           HE       ARG  27   5.117   2.630  -2.924
  206   HH11  ARG  27          HH11      ARG  27   5.235   0.356  -5.614
  207   HH12  ARG  27          HH12      ARG  27   5.266   1.612  -6.808
  208   HH21  ARG  27          HH21      ARG  27   5.140   4.225  -4.491
  209   HH22  ARG  27          HH22      ARG  27   5.220   3.808  -6.170
  210    H    GLY  28           HN       GLY  28   4.025   0.150   1.964
  211    HA2  GLY  28           HA2      GLY  28   2.855  -2.550   2.152
  212    HA3  GLY  28           HA1      GLY  28   4.598  -2.353   2.003
  213    HA   PRO  29           HA       PRO  29   3.469  -2.111   6.544
  214    HB2  PRO  29           HB2      PRO  29   5.208  -4.347   7.175
  215    HB3  PRO  29           HB1      PRO  29   3.446  -4.312   7.195
  216    HG2  PRO  29           HG2      PRO  29   4.983  -5.790   5.394
  217    HG3  PRO  29           HG1      PRO  29   3.285  -5.334   5.150
  218    HD2  PRO  29           HD2      PRO  29   5.772  -4.048   4.051
  219    HD3  PRO  29           HD1      PRO  29   4.201  -4.319   3.266
  220    H    ALA  30           HN       ALA  30   4.585  -0.436   7.480
  221    HA   ALA  30           HA       ALA  30   7.481  -0.229   7.386
  222    HB1  ALA  30           HB1      ALA  30   5.495   1.370   9.043
  223    HB2  ALA  30           HB2      ALA  30   6.092   1.821   7.448
  224    HB3  ALA  30           HB3      ALA  30   7.209   1.750   8.810
  225    H    LYS  31           HN       LYS  31   5.242  -0.332  10.164
  226    HA   LYS  31           HA       LYS  31   6.502  -2.766  11.212
  227    HB2  LYS  31           HB2      LYS  31   6.194  -0.177  12.805
  228    HB3  LYS  31           HB1      LYS  31   6.144  -1.735  13.604
  229    HG2  LYS  31           HG2      LYS  31   8.354  -1.152  13.921
  230    HG3  LYS  31           HG1      LYS  31   8.461  -2.140  12.466
  231    HD2  LYS  31           HD2      LYS  31   8.373   0.049  11.129
  232    HD3  LYS  31           HD1      LYS  31   8.579   0.892  12.666
  233    HE2  LYS  31           HE2      LYS  31  10.742   0.636  11.534
  234    HE3  LYS  31           HE1      LYS  31  10.719  -0.325  13.015
  235    HZ1  LYS  31           HZ1      LYS  31  10.273  -2.294  11.692
  236    HZ2  LYS  31           HZ2      LYS  31  11.687  -1.535  11.157
  237    HZ3  LYS  31           HZ3      LYS  31  10.255  -1.373  10.271
  238    H    HIS  32           HN       HIS  32   4.459  -3.304   9.946
  239    HA   HIS  32           HA       HIS  32   1.959  -2.695  11.443
  240    HB2  HIS  32           HB2      HIS  32   2.168  -1.651   9.136
  241    HB3  HIS  32           HB1      HIS  32   2.197  -3.267   8.451
  242    HD1  HIS  32           HD1      HIS  32  -0.058  -0.825  10.153
  243    HD2  HIS  32           HD2      HIS  32  -0.312  -4.490   8.259
  244    HE1  HIS  32           HE1      HIS  32  -2.502  -1.205   9.782
  245    HE2  HIS  32           HE2      HIS  32  -2.601  -3.325   8.444
  246    H    TYR  33           HN       TYR  33   1.579  -4.500  12.625
  247    HA   TYR  33           HA       TYR  33   2.222  -7.150  11.465
  248    HB2  TYR  33           HB2      TYR  33   2.647  -6.075  14.276
  249    HB3  TYR  33           HB1      TYR  33   2.627  -7.809  13.955
  250    HD1  TYR  33           HD1      TYR  33   4.381  -4.627  13.102
  251    HD2  TYR  33           HD2      TYR  33   4.565  -8.886  12.996
  252    HE1  TYR  33           HE1      TYR  33   6.719  -4.511  12.368
  253    HE2  TYR  33           HE2      TYR  33   6.907  -8.769  12.272
  254    HH   TYR  33           HH       TYR  33   8.387  -7.114  11.076
  255    H    MET  34           HN       MET  34   0.932  -8.809  11.785
  256    HA   MET  34           HA       MET  34  -1.705  -8.483  13.089
  257    HB2  MET  34           HB2      MET  34  -1.794  -9.034  10.654
  258    HB3  MET  34           HB1      MET  34  -0.757 -10.429  10.913
  259    HG2  MET  34           HG2      MET  34  -2.575 -11.362  12.429
  260    HG3  MET  34           HG1      MET  34  -3.606 -10.054  11.841
  261    HE1  MET  34           HE1      MET  34  -3.936 -10.970   8.023
  262    HE2  MET  34           HE2      MET  34  -2.773  -9.857   8.740
  263    HE3  MET  34           HE3      MET  34  -4.447  -9.868   9.302
  264    H    CYS  35           HN       CYS  35  -2.250 -10.038  14.702
  265    HA   CYS  35           HA       CYS  35  -0.176 -11.272  16.173
  266    HB2  CYS  35           HB2      CYS  35  -2.195 -10.679  17.295
  267    HB3  CYS  35           HB1      CYS  35  -3.161 -11.560  16.171
  268    HA   PRO  36           HA       PRO  36   0.254 -15.174  13.955
  269    HB2  PRO  36           HB2      PRO  36   1.452 -16.699  15.899
  270    HB3  PRO  36           HB1      PRO  36   2.306 -15.437  15.004
  271    HG2  PRO  36           HG2      PRO  36   1.054 -15.298  17.749
  272    HG3  PRO  36           HG1      PRO  36   2.644 -14.711  17.212
  273    HD2  PRO  36           HD2      PRO  36   0.506 -13.052  17.484
  274    HD3  PRO  36           HD1      PRO  36   1.749 -12.794  16.235
  275    H    ILE  37           HN       ILE  37  -1.094 -15.433  17.316
  276    HA   ILE  37           HA       ILE  37  -2.054 -18.098  16.866
  277    HB   ILE  37           HB       ILE  37  -2.405 -16.207  19.225
  278   HG12  ILE  37          HG12      ILE  37  -0.412 -18.490  18.815
  279   HG13  ILE  37          HG11      ILE  37  -0.024 -16.776  18.703
  280   HG21  ILE  37          HG21      ILE  37  -2.901 -19.198  19.115
  281   HG22  ILE  37          HG22      ILE  37  -4.129 -17.947  19.274
  282   HG23  ILE  37          HG23      ILE  37  -2.967 -18.203  20.573
  283   HD11  ILE  37          HD11      ILE  37  -0.930 -18.244  21.182
  284   HD12  ILE  37          HD12      ILE  37  -0.578 -16.515  21.075
  285   HD13  ILE  37          HD13      ILE  37   0.705 -17.695  20.810
  286    H    CYS  38           HN       CYS  38  -3.828 -14.997  17.612
  287    HA   CYS  38           HA       CYS  38  -6.269 -16.280  16.571
  288    HB2  CYS  38           HB2      CYS  38  -7.551 -14.780  17.939
  289    HB3  CYS  38           HB1      CYS  38  -6.365 -15.582  18.937
  290    H    GLY  39           HN       GLY  39  -4.605 -13.022  16.429
  291    HA2  GLY  39           HA2      GLY  39  -3.648 -12.434  14.393
  292    HA3  GLY  39           HA1      GLY  39  -4.838 -13.398  13.546
  293    H    GLU  40           HN       GLU  40  -5.594 -10.903  15.947
  294    HA   GLU  40           HA       GLU  40  -6.899  -9.218  14.032
  295    HB2  GLU  40           HB2      GLU  40  -7.131  -7.603  15.878
  296    HB3  GLU  40           HB1      GLU  40  -7.709  -9.198  16.310
  297    HG2  GLU  40           HG2      GLU  40  -4.936  -8.282  17.087
  298    HG3  GLU  40           HG1      GLU  40  -6.343  -7.845  18.029
  299    H    ARG  41           HN       ARG  41  -6.301  -6.950  13.681
  300    HA   ARG  41           HA       ARG  41  -3.533  -6.791  12.791
  301    HB2  ARG  41           HB2      ARG  41  -5.582  -6.149  11.357
  302    HB3  ARG  41           HB1      ARG  41  -5.741  -4.717  12.363
  303    HG2  ARG  41           HG2      ARG  41  -4.542  -3.972  10.469
  304    HG3  ARG  41           HG1      ARG  41  -3.303  -4.186  11.713
  305    HD2  ARG  41           HD2      ARG  41  -2.452  -5.122   9.669
  306    HD3  ARG  41           HD1      ARG  41  -2.841  -6.487  10.729
  307    HE   ARG  41           HE       ARG  41  -5.096  -5.930   9.165
  308   HH11  ARG  41          HH11      ARG  41  -1.848  -7.188   8.640
  309   HH12  ARG  41          HH12      ARG  41  -2.302  -8.062   7.215
  310   HH21  ARG  41          HH21      ARG  41  -5.659  -7.070   7.314
  311   HH22  ARG  41          HH22      ARG  41  -4.462  -7.997   6.469
  312    H    PHE  42           HN       PHE  42  -2.061  -5.218  13.481
  313    HA   PHE  42           HA       PHE  42  -2.845  -3.441  15.724
  314    HB2  PHE  42           HB2      PHE  42  -0.188  -4.883  15.321
  315    HB3  PHE  42           HB1      PHE  42  -0.507  -3.712  16.602
  316    HD1  PHE  42           HD2      PHE  42  -2.161  -4.227  18.393
  317    HD2  PHE  42           HD1      PHE  42  -1.049  -7.151  15.479
  318    HE1  PHE  42           HE2      PHE  42  -3.181  -5.995  19.769
  319    HE2  PHE  42           HE1      PHE  42  -2.076  -8.899  16.855
  320    HZ   PHE  42           HZ       PHE  42  -3.152  -8.330  18.991
  321    HA   PRO  43           HA       PRO  43  -1.413  -0.010  13.221
  322    HB2  PRO  43           HB2      PRO  43  -1.083   1.909  15.140
  323    HB3  PRO  43           HB1      PRO  43  -2.683   1.287  14.706
  324    HG2  PRO  43           HG2      PRO  43  -0.898   0.449  17.006
  325    HG3  PRO  43           HG1      PRO  43  -2.622   0.893  17.038
  326    HD2  PRO  43           HD2      PRO  43  -1.812  -1.694  16.979
  327    HD3  PRO  43           HD1      PRO  43  -3.295  -1.166  16.150
  328    H    SER  44           HN       SER  44   0.587  -1.403  15.708
  329    HA   SER  44           HA       SER  44   3.027  -0.700  14.346
  330    HB2  SER  44           HB2      SER  44   4.066   0.373  16.407
  331    HB3  SER  44           HB1      SER  44   2.834   1.339  15.616
  332    HG   SER  44           HG       SER  44   2.778   1.064  18.030
  333    H    LEU  45           HN       LEU  45   4.926  -1.699  15.359
  334    HA   LEU  45           HA       LEU  45   4.338  -4.257  16.646
  335    HB2  LEU  45           HB2      LEU  45   6.043  -4.138  14.820
  336    HB3  LEU  45           HB1      LEU  45   7.025  -3.074  15.812
  337    HG   LEU  45           HG       LEU  45   7.343  -4.899  17.471
  338   HD11  LEU  45          HD11      LEU  45   6.624  -7.198  16.999
  339   HD12  LEU  45          HD12      LEU  45   5.741  -6.637  15.578
  340   HD13  LEU  45          HD13      LEU  45   5.247  -6.113  17.190
  341   HD21  LEU  45          HD21      LEU  45   8.991  -4.644  15.661
  342   HD22  LEU  45          HD22      LEU  45   8.066  -5.759  14.650
  343   HD23  LEU  45          HD23      LEU  45   8.819  -6.330  16.141
  344    H    LEU  46           HN       LEU  46   3.464  -3.255  18.488
  345    HA   LEU  46           HA       LEU  46   5.324  -3.051  20.690
  346    HB2  LEU  46           HB2      LEU  46   5.239  -0.680  19.852
  347    HB3  LEU  46           HB1      LEU  46   3.488  -0.702  19.986
  348    HG   LEU  46           HG       LEU  46   3.750  -1.023  22.486
  349   HD11  LEU  46          HD11      LEU  46   5.993  -1.991  22.525
  350   HD12  LEU  46          HD12      LEU  46   5.918  -0.549  23.527
  351   HD13  LEU  46          HD13      LEU  46   6.684  -0.475  21.940
  352   HD21  LEU  46          HD21      LEU  46   4.998   1.505  21.352
  353   HD22  LEU  46          HD22      LEU  46   4.331   1.318  22.977
  354   HD23  LEU  46          HD23      LEU  46   3.270   1.202  21.575
  355    H    THR  47           HN       THR  47   2.039  -2.224  19.675
  356    HA   THR  47           HA       THR  47   0.659  -3.198  21.945
  357    HB   THR  47           HB       THR  47  -1.382  -3.032  20.440
  358    HG1  THR  47           HG1      THR  47  -1.141  -2.641  18.334
  359   HG21  THR  47          HG21      THR  47   0.469  -0.612  20.360
  360   HG22  THR  47          HG22      THR  47  -0.607  -1.034  21.693
  361   HG23  THR  47          HG23      THR  47  -1.281  -0.581  20.127
  362    H    LEU  48           HN       LEU  48   1.615  -4.739  18.886
  363    HA   LEU  48           HA       LEU  48   0.319  -7.209  19.150
  364    HB2  LEU  48           HB2      LEU  48   1.454  -6.510  17.083
  365    HB3  LEU  48           HB1      LEU  48   3.006  -6.507  17.885
  366    HG   LEU  48           HG       LEU  48   2.497  -8.427  16.230
  367   HD11  LEU  48          HD11      LEU  48   3.756 -10.107  17.465
  368   HD12  LEU  48          HD12      LEU  48   3.479  -9.239  18.977
  369   HD13  LEU  48          HD13      LEU  48   4.446  -8.499  17.702
  370   HD21  LEU  48          HD21      LEU  48   1.309 -10.397  17.116
  371   HD22  LEU  48          HD22      LEU  48   0.246  -9.005  16.955
  372   HD23  LEU  48          HD23      LEU  48   0.848  -9.474  18.547
  373    H    THR  49           HN       THR  49   3.406  -6.104  20.507
  374    HA   THR  49           HA       THR  49   4.211  -8.564  21.666
  375    HB   THR  49           HB       THR  49   5.049  -5.747  22.469
  376    HG1  THR  49           HG1      THR  49   6.481  -5.837  20.830
  377   HG21  THR  49          HG21      THR  49   5.814  -7.478  24.062
  378   HG22  THR  49          HG22      THR  49   7.173  -6.805  23.160
  379   HG23  THR  49          HG23      THR  49   6.535  -8.393  22.730
  380    H    GLU  50           HN       GLU  50   2.530  -5.732  22.968
  381    HA   GLU  50           HA       GLU  50   2.238  -6.547  25.657
  382    HB2  GLU  50           HB2      GLU  50   0.257  -4.820  24.114
  383    HB3  GLU  50           HB1      GLU  50   0.533  -4.825  25.853
  384    HG2  GLU  50           HG2      GLU  50   2.397  -3.791  23.700
  385    HG3  GLU  50           HG1      GLU  50   1.516  -2.852  24.890
  386    H    HIS  51           HN       HIS  51   0.225  -7.080  22.797
  387    HA   HIS  51           HA       HIS  51  -1.907  -8.464  24.094
  388    HB2  HIS  51           HB2      HIS  51  -2.335  -7.373  22.005
  389    HB3  HIS  51           HB1      HIS  51  -0.996  -8.191  21.206
  390    HD1  HIS  51           HD1      HIS  51  -4.461  -8.943  22.586
  391    HD2  HIS  51           HD2      HIS  51  -1.633 -10.498  19.974
  392    HE1  HIS  51           HE1      HIS  51  -5.542 -10.926  21.456
  393    H    LYS  52           HN       LYS  52   1.064  -9.489  22.512
  394    HA   LYS  52           HA       LYS  52   0.681 -12.222  22.211
  395    HB2  LYS  52           HB2      LYS  52   2.573 -11.043  21.195
  396    HB3  LYS  52           HB1      LYS  52   3.228 -10.650  22.779
  397    HG2  LYS  52           HG2      LYS  52   3.596 -13.097  23.188
  398    HG3  LYS  52           HG1      LYS  52   3.059 -13.413  21.537
  399    HD2  LYS  52           HD2      LYS  52   5.460 -11.717  22.321
  400    HD3  LYS  52           HD1      LYS  52   5.536 -13.384  21.751
  401    HE2  LYS  52           HE2      LYS  52   4.628 -12.695  19.569
  402    HE3  LYS  52           HE1      LYS  52   4.498 -11.024  20.132
  403    HZ1  LYS  52           HZ1      LYS  52   7.019 -12.579  19.868
  404    HZ2  LYS  52           HZ2      LYS  52   6.902 -10.985  20.424
  405    HZ3  LYS  52           HZ3      LYS  52   6.496 -11.352  18.826
  406    H    VAL  53           HN       VAL  53   2.128 -10.478  24.978
  407    HA   VAL  53           HA       VAL  53   2.717 -12.846  26.455
  408    HB   VAL  53           HB       VAL  53   3.407 -11.316  28.257
  409   HG11  VAL  53          HG11      VAL  53   4.349 -10.410  25.512
  410   HG12  VAL  53          HG12      VAL  53   4.996 -11.768  26.436
  411   HG13  VAL  53          HG13      VAL  53   5.200 -10.120  27.033
  412   HG21  VAL  53          HG21      VAL  53   1.651  -9.598  28.075
  413   HG22  VAL  53          HG22      VAL  53   2.300  -9.079  26.520
  414   HG23  VAL  53          HG23      VAL  53   3.249  -8.854  27.991
  415    H    THR  54           HN       THR  54  -0.056 -10.698  26.297
  416    HA   THR  54           HA       THR  54  -1.283 -11.732  28.727
  417    HB   THR  54           HB       THR  54  -3.195 -10.225  28.084
  418    HG1  THR  54           HG1      THR  54  -1.708  -8.934  26.136
  419   HG21  THR  54          HG21      THR  54  -2.020  -8.073  28.428
  420   HG22  THR  54          HG22      THR  54  -0.474  -8.856  28.091
  421   HG23  THR  54          HG23      THR  54  -1.404  -9.316  29.520
  422    H    HIS  55           HN       HIS  55  -0.911 -13.154  25.773
  423    HA   HIS  55           HA       HIS  55  -3.474 -14.108  25.134
  424    HB2  HIS  55           HB2      HIS  55  -0.795 -14.612  24.183
  425    HB3  HIS  55           HB1      HIS  55  -1.541 -16.176  24.463
  426    HD1  HIS  55           HD1      HIS  55  -4.054 -16.377  23.241
  427    HD2  HIS  55           HD2      HIS  55  -1.417 -13.518  21.789
  428    HE1  HIS  55           HE1      HIS  55  -4.906 -15.730  20.956
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  -8.954  23.956   4.459
    2    H2   MET   1           HT2      MET   1  -7.333  23.990   4.921
    3    H3   MET   1           HT3      MET   1  -8.281  25.378   5.069
    4    HA   MET   1           HA       MET   1  -7.926  24.333   7.208
    5    HB2  MET   1           HB2      MET   1 -10.079  25.569   6.615
    6    HB3  MET   1           HB1      MET   1 -10.819  24.019   6.254
    7    HG2  MET   1           HG2      MET   1 -10.636  23.339   8.573
    8    HG3  MET   1           HG1      MET   1  -9.728  24.797   8.972
    9    HE1  MET   1           HE1      MET   1 -10.796  27.257   8.953
   10    HE2  MET   1           HE2      MET   1 -12.467  27.585   8.503
   11    HE3  MET   1           HE3      MET   1 -11.328  27.028   7.281
   12    H    GLY   2           HN       GLY   2  -8.589  22.450   8.618
   13    HA2  GLY   2           HA2      GLY   2  -9.091  20.157   8.930
   14    HA3  GLY   2           HA1      GLY   2  -8.844  19.874   7.206
   15    H    SER   3           HN       SER   3  -7.361  18.139   7.801
   16    HA   SER   3           HA       SER   3  -4.637  19.193   7.921
   17    HB2  SER   3           HB2      SER   3  -5.250  18.636  10.294
   18    HB3  SER   3           HB1      SER   3  -5.560  16.970   9.812
   19    HG   SER   3           HG       SER   3  -3.524  16.696  10.209
   20    H    HIS   4           HN       HIS   4  -4.561  18.600   5.733
   21    HA   HIS   4           HA       HIS   4  -4.353  15.771   5.067
   22    HB2  HIS   4           HB2      HIS   4  -3.388  18.194   3.475
   23    HB3  HIS   4           HB1      HIS   4  -3.436  16.535   2.888
   24    HD1  HIS   4           HD1      HIS   4  -5.386  19.582   2.987
   25    HD2  HIS   4           HD2      HIS   4  -6.233  15.517   2.751
   26    HE1  HIS   4           HE1      HIS   4  -7.744  19.432   2.137
   27    HE2  HIS   4           HE2      HIS   4  -8.233  16.962   2.013
   28    H    LYS   5           HN       LYS   5  -3.043  15.399   6.957
   29    HA   LYS   5           HA       LYS   5  -0.165  16.064   6.674
   30    HB2  LYS   5           HB2      LYS   5  -1.194  17.171   8.638
   31    HB3  LYS   5           HB1      LYS   5  -1.854  15.639   9.190
   32    HG2  LYS   5           HG2      LYS   5   0.483  14.803   9.520
   33    HG3  LYS   5           HG1      LYS   5   1.083  16.399   9.071
   34    HD2  LYS   5           HD2      LYS   5  -0.699  15.775  11.461
   35    HD3  LYS   5           HD1      LYS   5   1.031  16.105  11.522
   36    HE2  LYS   5           HE2      LYS   5   0.641  18.391  10.709
   37    HE3  LYS   5           HE1      LYS   5  -1.095  18.082  10.605
   38    HZ1  LYS   5           HZ1      LYS   5  -0.552  19.253  12.619
   39    HZ2  LYS   5           HZ2      LYS   5   0.553  18.059  13.074
   40    HZ3  LYS   5           HZ3      LYS   5  -1.097  17.701  13.009
   41    H    CYS   6           HN       CYS   6   1.215  14.332   6.666
   42    HA   CYS   6           HA       CYS   6   0.138  11.657   6.569
   43    HB2  CYS   6           HB2      CYS   6   2.062  12.423   5.151
   44    HB3  CYS   6           HB1      CYS   6   3.033  12.610   6.601
   45    H    ASN   7           HN       ASN   7  -0.679  11.193   8.607
   46    HA   ASN   7           HA       ASN   7   0.138  11.946  11.094
   47    HB2  ASN   7           HB2      ASN   7  -1.997  10.788  10.539
   48    HB3  ASN   7           HB1      ASN   7  -1.124   9.268  10.366
   49   HD21  ASN   7          HD21      ASN   7  -2.317   8.241  11.989
   50   HD22  ASN   7          HD22      ASN   7  -2.143   8.644  13.663
   51    H    VAL   8           HN       VAL   8   1.362   9.108   9.331
   52    HA   VAL   8           HA       VAL   8   2.889   7.863  11.358
   53    HB   VAL   8           HB       VAL   8   3.487   7.850   8.351
   54   HG11  VAL   8          HG11      VAL   8   4.573   5.665   8.764
   55   HG12  VAL   8          HG12      VAL   8   4.252   5.823  10.494
   56   HG13  VAL   8          HG13      VAL   8   5.350   6.949   9.694
   57   HG21  VAL   8          HG21      VAL   8   1.153   7.196   8.798
   58   HG22  VAL   8          HG22      VAL   8   1.698   5.958   9.931
   59   HG23  VAL   8          HG23      VAL   8   2.095   5.821   8.215
   60    H    CYS   9           HN       CYS   9   3.780  10.294   8.948
   61    HA   CYS   9           HA       CYS   9   6.522  10.604   9.864
   62    HB2  CYS   9           HB2      CYS   9   4.822  12.110   7.858
   63    HB3  CYS   9           HB1      CYS   9   6.473  12.569   8.238
   64    H    SER  10           HN       SER  10   3.482  12.112  10.430
   65    HA   SER  10           HA       SER  10   2.600  13.626  11.797
   66    HB2  SER  10           HB2      SER  10   5.341  13.813  13.108
   67    HB3  SER  10           HB1      SER  10   3.848  14.479  13.770
   68    HG   SER  10           HG       SER  10   3.214  12.045  13.343
   69    H    ARG  11           HN       ARG  11   4.482  14.348   9.320
   70    HA   ARG  11           HA       ARG  11   4.394  17.282   9.760
   71    HB2  ARG  11           HB2      ARG  11   6.169  17.528   8.153
   72    HB3  ARG  11           HB1      ARG  11   6.648  16.358   9.374
   73    HG2  ARG  11           HG2      ARG  11   6.310  14.517   7.845
   74    HG3  ARG  11           HG1      ARG  11   5.618  15.597   6.630
   75    HD2  ARG  11           HD2      ARG  11   8.483  15.652   7.644
   76    HD3  ARG  11           HD1      ARG  11   7.942  15.028   6.082
   77    HE   ARG  11           HE       ARG  11   7.189  17.343   5.564
   78   HH11  ARG  11          HH11      ARG  11   9.736  16.902   7.937
   79   HH12  ARG  11          HH12      ARG  11  10.381  18.491   7.700
   80   HH21  ARG  11          HH21      ARG  11   8.035  19.409   5.281
   81   HH22  ARG  11          HH22      ARG  11   9.422  19.912   6.196
   82    H    THR  12           HN       THR  12   4.304  18.479   7.509
   83    HA   THR  12           HA       THR  12   1.516  17.841   6.736
   84    HB   THR  12           HB       THR  12   1.833  19.922   8.053
   85    HG1  THR  12           HG1      THR  12   1.122  21.018   5.610
   86   HG21  THR  12          HG21      THR  12   3.438  20.943   5.676
   87   HG22  THR  12          HG22      THR  12   4.084  20.594   7.279
   88   HG23  THR  12          HG23      THR  12   2.922  21.904   7.067
   89    H    PHE  13           HN       PHE  13   0.765  18.422   4.676
   90    HA   PHE  13           HA       PHE  13   2.424  17.938   2.409
   91    HB2  PHE  13           HB2      PHE  13   0.394  18.179   1.097
   92    HB3  PHE  13           HB1      PHE  13  -0.026  17.302   2.554
   93    HD1  PHE  13           HD1      PHE  13  -0.398  19.610   4.513
   94    HD2  PHE  13           HD2      PHE  13  -1.621  19.199   0.441
   95    HE1  PHE  13           HE1      PHE  13  -2.232  21.200   4.895
   96    HE2  PHE  13           HE2      PHE  13  -3.446  20.789   0.833
   97    HZ   PHE  13           HZ       PHE  13  -3.760  21.795   3.057
   98    H    PHE  14           HN       PHE  14   1.784  19.475   0.424
   99    HA   PHE  14           HA       PHE  14   2.103  22.336   1.012
  100    HB2  PHE  14           HB2      PHE  14   4.364  21.621   0.420
  101    HB3  PHE  14           HB1      PHE  14   3.775  20.702  -0.961
  102    HD1  PHE  14           HD1      PHE  14   3.861  24.232   0.358
  103    HD2  PHE  14           HD2      PHE  14   3.864  21.711  -3.105
  104    HE1  PHE  14           HE1      PHE  14   4.192  26.201  -1.083
  105    HE2  PHE  14           HE2      PHE  14   4.209  23.688  -4.533
  106    HZ   PHE  14           HZ       PHE  14   4.369  25.933  -3.525
  107    H    SER  15           HN       SER  15   1.751  19.955  -1.617
  108    HA   SER  15           HA       SER  15  -0.733  21.251  -2.561
  109    HB2  SER  15           HB2      SER  15  -0.374  19.734  -4.565
  110    HB3  SER  15           HB1      SER  15   0.896  20.935  -4.334
  111    HG   SER  15           HG       SER  15   1.771  18.895  -4.768
  112    H    GLU  16           HN       GLU  16  -2.654  19.966  -2.697
  113    HA   GLU  16           HA       GLU  16  -2.984  18.122  -0.552
  114    HB2  GLU  16           HB2      GLU  16  -5.333  17.984  -1.226
  115    HB3  GLU  16           HB1      GLU  16  -4.778  19.654  -1.259
  116    HG2  GLU  16           HG2      GLU  16  -4.508  19.460  -3.755
  117    HG3  GLU  16           HG1      GLU  16  -5.214  17.849  -3.661
  118    H    ASN  17           HN       ASN  17  -2.698  17.696  -4.075
  119    HA   ASN  17           HA       ASN  17  -3.060  14.836  -4.040
  120    HB2  ASN  17           HB2      ASN  17  -3.547  16.223  -6.057
  121    HB3  ASN  17           HB1      ASN  17  -1.837  16.616  -6.187
  122   HD21  ASN  17          HD21      ASN  17  -4.202  14.029  -6.437
  123   HD22  ASN  17          HD22      ASN  17  -3.241  12.986  -7.424
  124    H    GLY  18           HN       GLY  18  -0.466  17.027  -3.448
  125    HA2  GLY  18           HA2      GLY  18   1.805  15.406  -3.853
  126    HA3  GLY  18           HA1      GLY  18   1.700  16.789  -2.782
  127    H    LEU  19           HN       LEU  19  -0.167  15.950  -0.899
  128    HA   LEU  19           HA       LEU  19   1.198  14.190   0.805
  129    HB2  LEU  19           HB2      LEU  19  -0.694  15.927   1.273
  130    HB3  LEU  19           HB1      LEU  19  -1.805  14.627   0.933
  131    HG   LEU  19           HG       LEU  19  -1.354  15.076   3.393
  132   HD11  LEU  19          HD11      LEU  19  -0.710  12.251   2.506
  133   HD12  LEU  19          HD12      LEU  19  -2.321  12.939   2.729
  134   HD13  LEU  19          HD13      LEU  19  -1.251  12.744   4.116
  135   HD21  LEU  19          HD21      LEU  19   0.723  14.254   4.424
  136   HD22  LEU  19          HD22      LEU  19   1.039  15.563   3.289
  137   HD23  LEU  19          HD23      LEU  19   1.384  13.897   2.824
  138    H    ARG  20           HN       ARG  20  -1.474  13.624  -1.448
  139    HA   ARG  20           HA       ARG  20  -2.096  10.944  -0.883
  140    HB2  ARG  20           HB2      ARG  20  -2.242  12.369  -3.583
  141    HB3  ARG  20           HB1      ARG  20  -3.075  10.872  -3.177
  142    HG2  ARG  20           HG2      ARG  20  -3.567  13.546  -1.835
  143    HG3  ARG  20           HG1      ARG  20  -4.545  12.864  -3.128
  144    HD2  ARG  20           HD2      ARG  20  -5.097  10.932  -1.684
  145    HD3  ARG  20           HD1      ARG  20  -4.147  11.650  -0.375
  146    HE   ARG  20           HE       ARG  20  -6.278  13.311  -1.464
  147   HH11  ARG  20          HH11      ARG  20  -5.456  10.983   1.011
  148   HH12  ARG  20          HH12      ARG  20  -6.725  11.501   2.072
  149   HH21  ARG  20          HH21      ARG  20  -7.922  13.971  -0.050
  150   HH22  ARG  20          HH22      ARG  20  -8.102  13.180   1.486
  151    H    GLU  21           HN       GLU  21   0.159  12.260  -3.315
  152    HA   GLU  21           HA       GLU  21   1.071   9.808  -4.358
  153    HB2  GLU  21           HB2      GLU  21   1.270  12.030  -5.514
  154    HB3  GLU  21           HB1      GLU  21   2.490  12.506  -4.336
  155    HG2  GLU  21           HG2      GLU  21   3.925  10.601  -5.122
  156    HG3  GLU  21           HG1      GLU  21   2.726  10.256  -6.369
  157    H    HIS  22           HN       HIS  22   2.220  11.910  -1.764
  158    HA   HIS  22           HA       HIS  22   4.602  10.519  -1.124
  159    HB2  HIS  22           HB2      HIS  22   4.417  12.776  -0.321
  160    HB3  HIS  22           HB1      HIS  22   2.877  12.457   0.475
  161    HD1  HIS  22           HD1      HIS  22   6.577  11.610   0.846
  162    HD2  HIS  22           HD2      HIS  22   3.055  11.578   3.053
  163    HE1  HIS  22           HE1      HIS  22   7.201  10.884   3.187
  164    H    LEU  23           HN       LEU  23   1.224  10.065  -0.128
  165    HA   LEU  23           HA       LEU  23   1.703   8.558   2.208
  166    HB2  LEU  23           HB2      LEU  23  -0.512   9.720   1.284
  167    HB3  LEU  23           HB1      LEU  23  -0.825   8.123   0.629
  168    HG   LEU  23           HG       LEU  23  -0.528   7.190   2.994
  169   HD11  LEU  23          HD11      LEU  23  -0.718   8.756   4.892
  170   HD12  LEU  23          HD12      LEU  23  -0.645  10.128   3.779
  171   HD13  LEU  23          HD13      LEU  23   0.746   9.056   3.956
  172   HD21  LEU  23          HD21      LEU  23  -2.778   7.479   2.053
  173   HD22  LEU  23          HD22      LEU  23  -2.812   9.162   2.589
  174   HD23  LEU  23          HD23      LEU  23  -2.774   7.855   3.776
  175    H    GLN  24           HN       GLN  24   1.965   7.704  -1.089
  176    HA   GLN  24           HA       GLN  24   1.477   4.916  -0.981
  177    HB2  GLN  24           HB2      GLN  24   3.061   6.541  -2.989
  178    HB3  GLN  24           HB1      GLN  24   2.430   4.913  -3.231
  179    HG2  GLN  24           HG2      GLN  24   0.845   7.470  -2.923
  180    HG3  GLN  24           HG1      GLN  24   1.003   6.464  -4.348
  181   HE21  GLN  24          HE21      GLN  24  -0.081   4.426  -4.395
  182   HE22  GLN  24          HE22      GLN  24  -1.457   4.132  -3.393
  183    H    THR  25           HN       THR  25   4.140   6.813   0.100
  184    HA   THR  25           HA       THR  25   6.199   4.820  -0.070
  185    HB   THR  25           HB       THR  25   7.464   6.259   1.476
  186    HG1  THR  25           HG1      THR  25   5.691   8.307   1.685
  187   HG21  THR  25          HG21      THR  25   7.449   6.953  -0.892
  188   HG22  THR  25          HG22      THR  25   7.515   8.362   0.172
  189   HG23  THR  25          HG23      THR  25   5.996   7.911  -0.605
  190    H    HIS  26           HN       HIS  26   3.406   5.099   1.847
  191    HA   HIS  26           HA       HIS  26   4.394   3.186   3.896
  192    HB2  HIS  26           HB2      HIS  26   2.081   5.151   4.274
  193    HB3  HIS  26           HB1      HIS  26   2.875   4.191   5.516
  194    HD1  HIS  26           HD1      HIS  26   5.238   5.075   6.351
  195    HD2  HIS  26           HD2      HIS  26   3.258   7.551   3.674
  196    HE1  HIS  26           HE1      HIS  26   6.390   7.313   6.464
  197    H    ARG  27           HN       ARG  27   3.549   2.239   1.430
  198    HA   ARG  27           HA       ARG  27   0.610   1.732   1.571
  199    HB2  ARG  27           HB2      ARG  27   1.456   3.083  -0.377
  200    HB3  ARG  27           HB1      ARG  27   2.446   1.722  -0.871
  201    HG2  ARG  27           HG2      ARG  27   0.421   1.917  -2.238
  202    HG3  ARG  27           HG1      ARG  27   0.427   0.399  -1.338
  203    HD2  ARG  27           HD2      ARG  27  -1.801   1.503  -1.362
  204    HD3  ARG  27           HD1      ARG  27  -1.176   1.287   0.274
  205    HE   ARG  27           HE       ARG  27  -1.072   3.870  -1.190
  206   HH11  ARG  27          HH11      ARG  27  -1.677   2.104   1.791
  207   HH12  ARG  27          HH12      ARG  27  -2.068   3.536   2.691
  208   HH21  ARG  27          HH21      ARG  27  -1.587   5.726   0.003
  209   HH22  ARG  27          HH22      ARG  27  -2.028   5.575   1.677
  210    H    GLY  28           HN       GLY  28   3.706   0.296   1.740
  211    HA2  GLY  28           HA2      GLY  28   4.408  -1.891   1.977
  212    HA3  GLY  28           HA1      GLY  28   2.765  -2.453   1.671
  213    HA   PRO  29           HA       PRO  29   5.476  -3.433  -2.164
  214    HB2  PRO  29           HB2      PRO  29   3.887  -5.960  -1.712
  215    HB3  PRO  29           HB1      PRO  29   5.550  -5.771  -2.297
  216    HG2  PRO  29           HG2      PRO  29   5.117  -6.514   0.212
  217    HG3  PRO  29           HG1      PRO  29   6.386  -5.320  -0.143
  218    HD2  PRO  29           HD2      PRO  29   3.615  -4.875   0.977
  219    HD3  PRO  29           HD1      PRO  29   5.155  -4.108   1.432
  220    H    ALA  30           HN       ALA  30   4.639  -2.789  -4.018
  221    HA   ALA  30           HA       ALA  30   1.801  -3.059  -4.723
  222    HB1  ALA  30           HB1      ALA  30   3.094  -0.315  -4.401
  223    HB2  ALA  30           HB2      ALA  30   1.862  -1.007  -3.347
  224    HB3  ALA  30           HB3      ALA  30   1.469  -0.624  -5.023
  225    H    LYS  31           HN       LYS  31   1.354  -2.643  -6.898
  226    HA   LYS  31           HA       LYS  31   1.562  -2.496  -9.108
  227    HB2  LYS  31           HB2      LYS  31   2.809  -0.386  -8.721
  228    HB3  LYS  31           HB1      LYS  31   4.316  -1.290  -8.616
  229    HG2  LYS  31           HG2      LYS  31   4.064  -1.983 -10.984
  230    HG3  LYS  31           HG1      LYS  31   2.547  -1.089 -11.081
  231    HD2  LYS  31           HD2      LYS  31   4.374   0.206 -12.087
  232    HD3  LYS  31           HD1      LYS  31   3.747   1.025 -10.655
  233    HE2  LYS  31           HE2      LYS  31   5.666   0.150  -9.334
  234    HE3  LYS  31           HE1      LYS  31   6.292  -0.639 -10.782
  235    HZ1  LYS  31           HZ1      LYS  31   7.373   1.477 -10.314
  236    HZ2  LYS  31           HZ2      LYS  31   5.893   2.282 -10.471
  237    HZ3  LYS  31           HZ3      LYS  31   6.576   1.497 -11.802
  238    H    HIS  32           HN       HIS  32   4.759  -3.552  -7.890
  239    HA   HIS  32           HA       HIS  32   5.152  -5.477  -9.970
  240    HB2  HIS  32           HB2      HIS  32   7.233  -6.045  -8.846
  241    HB3  HIS  32           HB1      HIS  32   7.052  -4.299  -8.863
  242    HD1  HIS  32           HD1      HIS  32   7.266  -7.227  -6.565
  243    HD2  HIS  32           HD2      HIS  32   6.729  -3.116  -6.295
  244    HE1  HIS  32           HE1      HIS  32   7.604  -6.658  -4.147
  245    HE2  HIS  32           HE2      HIS  32   7.504  -4.149  -4.064
  246    H    TYR  33           HN       TYR  33   6.181  -7.722  -8.622
  247    HA   TYR  33           HA       TYR  33   3.847  -8.976  -7.374
  248    HB2  TYR  33           HB2      TYR  33   4.382 -10.868  -9.330
  249    HB3  TYR  33           HB1      TYR  33   3.119  -9.649  -9.459
  250    HD1  TYR  33           HD1      TYR  33   6.791 -10.054 -10.233
  251    HD2  TYR  33           HD2      TYR  33   3.079  -8.290 -11.416
  252    HE1  TYR  33           HE1      TYR  33   7.862  -9.113 -12.222
  253    HE2  TYR  33           HE2      TYR  33   4.175  -7.372 -13.417
  254    HH   TYR  33           HH       TYR  33   6.405  -6.765 -14.168
  255    H    MET  34           HN       MET  34   5.232  -9.113  -5.581
  256    HA   MET  34           HA       MET  34   7.314 -11.228  -5.711
  257    HB2  MET  34           HB2      MET  34   8.141  -9.087  -4.746
  258    HB3  MET  34           HB1      MET  34   6.820  -9.080  -3.582
  259    HG2  MET  34           HG2      MET  34   7.723 -11.155  -2.561
  260    HG3  MET  34           HG1      MET  34   9.065 -11.126  -3.704
  261    HE1  MET  34           HE1      MET  34   9.811  -7.983  -3.793
  262    HE2  MET  34           HE2      MET  34  11.000  -9.279  -3.657
  263    HE3  MET  34           HE3      MET  34  11.036  -7.927  -2.522
  264    H    CYS  35           HN       CYS  35   6.814 -13.129  -4.719
  265    HA   CYS  35           HA       CYS  35   4.118 -13.590  -3.851
  266    HB2  CYS  35           HB2      CYS  35   5.600 -15.185  -5.162
  267    HB3  CYS  35           HB1      CYS  35   6.454 -15.505  -3.668
  268    HA   PRO  36           HA       PRO  36   4.653 -12.159   0.411
  269    HB2  PRO  36           HB2      PRO  36   2.553 -14.291   0.874
  270    HB3  PRO  36           HB1      PRO  36   2.633 -12.634   1.503
  271    HG2  PRO  36           HG2      PRO  36   1.059 -13.162  -0.564
  272    HG3  PRO  36           HG1      PRO  36   2.051 -11.685  -0.568
  273    HD2  PRO  36           HD2      PRO  36   2.464 -14.259  -2.075
  274    HD3  PRO  36           HD1      PRO  36   2.790 -12.588  -2.586
  275    H    ILE  37           HN       ILE  37   4.507 -15.769   0.065
  276    HA   ILE  37           HA       ILE  37   6.048 -16.121   2.504
  277    HB   ILE  37           HB       ILE  37   4.970 -18.149   0.506
  278   HG12  ILE  37          HG12      ILE  37   3.788 -17.297   3.194
  279   HG13  ILE  37          HG11      ILE  37   3.164 -16.810   1.622
  280   HG21  ILE  37          HG21      ILE  37   5.286 -19.824   2.315
  281   HG22  ILE  37          HG22      ILE  37   6.058 -18.583   3.306
  282   HG23  ILE  37          HG23      ILE  37   6.807 -19.102   1.798
  283   HD11  ILE  37          HD11      ILE  37   1.848 -18.597   2.591
  284   HD12  ILE  37          HD12      ILE  37   3.268 -19.631   2.683
  285   HD13  ILE  37          HD13      ILE  37   2.633 -19.139   1.109
  286    H    CYS  38           HN       CYS  38   6.461 -17.054  -0.959
  287    HA   CYS  38           HA       CYS  38   9.211 -17.898  -0.344
  288    HB2  CYS  38           HB2      CYS  38   9.027 -19.467  -2.064
  289    HB3  CYS  38           HB1      CYS  38   7.428 -19.463  -1.343
  290    H    GLY  39           HN       GLY  39   7.565 -15.487  -2.241
  291    HA2  GLY  39           HA2      GLY  39   8.336 -13.612  -3.210
  292    HA3  GLY  39           HA1      GLY  39   9.958 -14.045  -2.696
  293    H    GLU  40           HN       GLU  40   8.418 -16.401  -4.680
  294    HA   GLU  40           HA       GLU  40  10.090 -16.042  -6.913
  295    HB2  GLU  40           HB2      GLU  40   7.455 -17.563  -6.691
  296    HB3  GLU  40           HB1      GLU  40   8.571 -17.693  -8.045
  297    HG2  GLU  40           HG2      GLU  40  10.323 -18.549  -6.517
  298    HG3  GLU  40           HG1      GLU  40   9.198 -18.437  -5.172
  299    H    ARG  41           HN       ARG  41   9.957 -14.749  -8.631
  300    HA   ARG  41           HA       ARG  41   7.778 -12.848  -8.964
  301    HB2  ARG  41           HB2      ARG  41  10.112 -12.068  -9.010
  302    HB3  ARG  41           HB1      ARG  41  10.489 -13.148 -10.336
  303    HG2  ARG  41           HG2      ARG  41   8.381 -11.028 -10.738
  304    HG3  ARG  41           HG1      ARG  41  10.072 -10.540 -10.726
  305    HD2  ARG  41           HD2      ARG  41  10.552 -12.053 -12.601
  306    HD3  ARG  41           HD1      ARG  41   8.883 -12.635 -12.593
  307    HE   ARG  41           HE       ARG  41   9.098  -9.782 -12.916
  308   HH11  ARG  41          HH11      ARG  41   9.210 -12.798 -14.723
  309   HH12  ARG  41          HH12      ARG  41   8.682 -12.059 -16.199
  310   HH21  ARG  41          HH21      ARG  41   8.382  -8.855 -14.849
  311   HH22  ARG  41          HH22      ARG  41   8.230  -9.826 -16.277
  312    H    PHE  42           HN       PHE  42   6.316 -12.888 -10.560
  313    HA   PHE  42           HA       PHE  42   6.509 -14.865 -12.768
  314    HB2  PHE  42           HB2      PHE  42   4.131 -14.091 -11.024
  315    HB3  PHE  42           HB1      PHE  42   3.891 -14.755 -12.638
  316    HD1  PHE  42           HD1      PHE  42   5.627 -15.520  -9.389
  317    HD2  PHE  42           HD2      PHE  42   3.914 -17.102 -12.977
  318    HE1  PHE  42           HE1      PHE  42   5.973 -17.811  -8.555
  319    HE2  PHE  42           HE2      PHE  42   4.250 -19.385 -12.121
  320    HZ   PHE  42           HZ       PHE  42   5.283 -19.741  -9.918
  321    HA   PRO  43           HA       PRO  43   6.224 -11.655 -15.801
  322    HB2  PRO  43           HB2      PRO  43   4.098 -12.377 -17.484
  323    HB3  PRO  43           HB1      PRO  43   5.717 -13.088 -17.542
  324    HG2  PRO  43           HG2      PRO  43   3.255 -14.108 -16.120
  325    HG3  PRO  43           HG1      PRO  43   4.406 -15.003 -17.141
  326    HD2  PRO  43           HD2      PRO  43   4.594 -15.171 -14.490
  327    HD3  PRO  43           HD1      PRO  43   6.072 -15.012 -15.459
  328    H    SER  44           HN       SER  44   3.237 -12.312 -14.069
  329    HA   SER  44           HA       SER  44   2.502  -9.471 -14.124
  330    HB2  SER  44           HB2      SER  44   0.526 -11.645 -14.958
  331    HB3  SER  44           HB1      SER  44   0.168  -9.927 -14.793
  332    HG   SER  44           HG       SER  44   1.982  -9.729 -16.416
  333    H    LEU  45           HN       LEU  45   0.798  -8.992 -12.553
  334    HA   LEU  45           HA       LEU  45   1.015 -10.568 -10.093
  335    HB2  LEU  45           HB2      LEU  45   1.377  -8.070 -10.092
  336    HB3  LEU  45           HB1      LEU  45  -0.283  -7.844 -10.613
  337    HG   LEU  45           HG       LEU  45  -1.079  -8.828  -8.448
  338   HD11  LEU  45          HD11      LEU  45   0.832 -10.274  -7.929
  339   HD12  LEU  45          HD12      LEU  45   0.481  -9.188  -6.590
  340   HD13  LEU  45          HD13      LEU  45   1.849  -8.857  -7.654
  341   HD21  LEU  45          HD21      LEU  45   0.810  -6.474  -8.076
  342   HD22  LEU  45          HD22      LEU  45  -0.551  -6.900  -7.035
  343   HD23  LEU  45          HD23      LEU  45  -0.843  -6.376  -8.691
  344    H    LEU  46           HN       LEU  46  -0.210 -12.083 -11.747
  345    HA   LEU  46           HA       LEU  46  -3.014 -12.270 -10.971
  346    HB2  LEU  46           HB2      LEU  46  -3.028 -10.935 -13.107
  347    HB3  LEU  46           HB1      LEU  46  -2.131 -12.216 -13.897
  348    HG   LEU  46           HG       LEU  46  -4.105 -13.767 -13.433
  349   HD11  LEU  46          HD11      LEU  46  -5.177 -12.497 -11.616
  350   HD12  LEU  46          HD12      LEU  46  -6.295 -12.764 -12.950
  351   HD13  LEU  46          HD13      LEU  46  -5.545 -11.184 -12.737
  352   HD21  LEU  46          HD21      LEU  46  -3.731 -12.806 -15.663
  353   HD22  LEU  46          HD22      LEU  46  -4.655 -11.372 -15.213
  354   HD23  LEU  46          HD23      LEU  46  -5.456 -12.940 -15.312
  355    H    THR  47           HN       THR  47  -0.614 -13.545 -13.268
  356    HA   THR  47           HA       THR  47  -0.919 -16.301 -12.807
  357    HB   THR  47           HB       THR  47   1.458 -16.465 -13.678
  358    HG1  THR  47           HG1      THR  47   2.543 -14.570 -14.164
  359   HG21  THR  47          HG21      THR  47  -0.418 -16.339 -15.292
  360   HG22  THR  47          HG22      THR  47   1.012 -15.510 -15.910
  361   HG23  THR  47          HG23      THR  47  -0.334 -14.574 -15.255
  362    H    LEU  48           HN       LEU  48   0.964 -13.847 -11.112
  363    HA   LEU  48           HA       LEU  48   2.301 -15.413  -9.205
  364    HB2  LEU  48           HB2      LEU  48   2.698 -12.974  -9.749
  365    HB3  LEU  48           HB1      LEU  48   1.212 -12.569  -8.922
  366    HG   LEU  48           HG       LEU  48   3.387 -12.087  -7.668
  367   HD11  LEU  48          HD11      LEU  48   2.586 -12.740  -5.454
  368   HD12  LEU  48          HD12      LEU  48   1.421 -13.847  -6.181
  369   HD13  LEU  48          HD13      LEU  48   1.269 -12.111  -6.444
  370   HD21  LEU  48          HD21      LEU  48   3.486 -15.095  -7.312
  371   HD22  LEU  48          HD22      LEU  48   4.532 -13.913  -6.524
  372   HD23  LEU  48          HD23      LEU  48   4.610 -14.125  -8.270
  373    H    THR  49           HN       THR  49  -0.972 -14.023  -9.228
  374    HA   THR  49           HA       THR  49  -1.717 -14.631  -6.564
  375    HB   THR  49           HB       THR  49  -3.579 -14.264  -8.954
  376    HG1  THR  49           HG1      THR  49  -3.319 -12.118  -8.727
  377   HG21  THR  49          HG21      THR  49  -4.705 -15.007  -6.875
  378   HG22  THR  49          HG22      THR  49  -5.164 -13.359  -7.301
  379   HG23  THR  49          HG23      THR  49  -3.998 -13.642  -6.008
  380    H    GLU  50           HN       GLU  50  -2.352 -16.247  -9.650
  381    HA   GLU  50           HA       GLU  50  -3.801 -18.485  -8.883
  382    HB2  GLU  50           HB2      GLU  50  -1.671 -18.376 -11.053
  383    HB3  GLU  50           HB1      GLU  50  -2.960 -19.569 -10.937
  384    HG2  GLU  50           HG2      GLU  50  -3.302 -16.608 -11.473
  385    HG3  GLU  50           HG1      GLU  50  -3.427 -17.901 -12.653
  386    H    HIS  51           HN       HIS  51  -0.256 -18.067  -9.053
  387    HA   HIS  51           HA       HIS  51   0.441 -20.664  -8.130
  388    HB2  HIS  51           HB2      HIS  51   2.198 -19.595  -9.270
  389    HB3  HIS  51           HB1      HIS  51   1.887 -18.040  -8.506
  390    HD1  HIS  51           HD1      HIS  51   3.298 -21.456  -7.518
  391    HD2  HIS  51           HD2      HIS  51   3.592 -17.437  -6.536
  392    HE1  HIS  51           HE1      HIS  51   5.032 -21.295  -5.690
  393    H    LYS  52           HN       LYS  52  -0.235 -17.628  -6.513
  394    HA   LYS  52           HA       LYS  52   1.106 -18.106  -4.071
  395    HB2  LYS  52           HB2      LYS  52   0.420 -15.881  -5.111
  396    HB3  LYS  52           HB1      LYS  52  -1.215 -16.186  -4.562
  397    HG2  LYS  52           HG2      LYS  52   1.107 -16.090  -2.623
  398    HG3  LYS  52           HG1      LYS  52   0.334 -14.609  -3.180
  399    HD2  LYS  52           HD2      LYS  52  -0.997 -16.875  -1.650
  400    HD3  LYS  52           HD1      LYS  52  -0.550 -15.293  -1.002
  401    HE2  LYS  52           HE2      LYS  52  -2.134 -14.258  -2.687
  402    HE3  LYS  52           HE1      LYS  52  -2.679 -15.885  -3.094
  403    HZ1  LYS  52           HZ1      LYS  52  -4.128 -14.848  -1.485
  404    HZ2  LYS  52           HZ2      LYS  52  -2.840 -14.620  -0.417
  405    HZ3  LYS  52           HZ3      LYS  52  -3.354 -16.182  -0.797
  406    H    VAL  53           HN       VAL  53  -2.329 -18.512  -5.020
  407    HA   VAL  53           HA       VAL  53  -3.216 -19.292  -2.408
  408    HB   VAL  53           HB       VAL  53  -5.350 -19.872  -3.557
  409   HG11  VAL  53          HG11      VAL  53  -4.234 -17.152  -4.347
  410   HG12  VAL  53          HG12      VAL  53  -5.003 -17.555  -2.814
  411   HG13  VAL  53          HG13      VAL  53  -5.950 -17.576  -4.300
  412   HG21  VAL  53          HG21      VAL  53  -3.925 -19.067  -6.127
  413   HG22  VAL  53          HG22      VAL  53  -5.645 -19.434  -5.979
  414   HG23  VAL  53          HG23      VAL  53  -4.449 -20.699  -5.709
  415    H    THR  54           HN       THR  54  -2.093 -20.984  -5.259
  416    HA   THR  54           HA       THR  54  -2.797 -23.629  -4.264
  417    HB   THR  54           HB       THR  54  -1.792 -24.471  -6.394
  418    HG1  THR  54           HG1      THR  54  -1.265 -21.712  -6.877
  419   HG21  THR  54          HG21      THR  54  -3.705 -22.145  -6.820
  420   HG22  THR  54          HG22      THR  54  -4.183 -23.785  -6.376
  421   HG23  THR  54          HG23      THR  54  -3.425 -23.485  -7.939
  422    H    HIS  55           HN       HIS  55  -0.581 -21.842  -2.961
  423    HA   HIS  55           HA       HIS  55   1.868 -23.161  -2.990
  424    HB2  HIS  55           HB2      HIS  55   0.491 -21.277  -1.177
  425    HB3  HIS  55           HB1      HIS  55   1.470 -22.404  -0.259
  426    HD1  HIS  55           HD1      HIS  55   3.854 -21.723   0.019
  427    HD2  HIS  55           HD2      HIS  55   2.091 -19.982  -3.312
  428    HE1  HIS  55           HE1      HIS  55   5.544 -20.085  -0.911
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  -7.710  25.626   1.924
    2    H2   MET   1           HT2      MET   1  -6.142  26.249   1.873
    3    H3   MET   1           HT3      MET   1  -6.777  25.680   3.333
    4    HA   MET   1           HA       MET   1  -6.282  24.029   0.935
    5    HB2  MET   1           HB2      MET   1  -4.419  23.003   2.321
    6    HB3  MET   1           HB1      MET   1  -4.130  24.661   1.831
    7    HG2  MET   1           HG2      MET   1  -5.166  23.924   4.573
    8    HG3  MET   1           HG1      MET   1  -3.452  24.091   4.194
    9    HE1  MET   1           HE1      MET   1  -3.393  26.593   2.179
   10    HE2  MET   1           HE2      MET   1  -2.289  26.421   3.543
   11    HE3  MET   1           HE3      MET   1  -3.182  27.925   3.315
   12    H    GLY   2           HN       GLY   2  -6.577  21.764   1.278
   13    HA2  GLY   2           HA2      GLY   2  -8.740  21.023   3.058
   14    HA3  GLY   2           HA1      GLY   2  -7.924  19.991   1.895
   15    H    SER   3           HN       SER   3  -8.010  18.345   3.609
   16    HA   SER   3           HA       SER   3  -6.272  18.755   5.908
   17    HB2  SER   3           HB2      SER   3  -7.154  16.545   6.675
   18    HB3  SER   3           HB1      SER   3  -8.419  17.735   6.424
   19    HG   SER   3           HG       SER   3  -8.208  15.330   5.368
   20    H    HIS   4           HN       HIS   4  -4.363  18.764   4.994
   21    HA   HIS   4           HA       HIS   4  -3.257  16.218   4.007
   22    HB2  HIS   4           HB2      HIS   4  -1.417  17.531   3.048
   23    HB3  HIS   4           HB1      HIS   4  -2.966  17.968   2.379
   24    HD1  HIS   4           HD1      HIS   4   0.040  19.419   3.709
   25    HD2  HIS   4           HD2      HIS   4  -3.944  20.562   3.571
   26    HE1  HIS   4           HE1      HIS   4   0.045  21.890   4.081
   27    HE2  HIS   4           HE2      HIS   4  -2.349  22.581   3.793
   28    H    LYS   5           HN       LYS   5  -2.817  15.221   5.868
   29    HA   LYS   5           HA       LYS   5  -0.269  16.003   7.088
   30    HB2  LYS   5           HB2      LYS   5  -1.948  16.593   8.811
   31    HB3  LYS   5           HB1      LYS   5  -2.689  15.003   8.673
   32    HG2  LYS   5           HG2      LYS   5  -0.472  14.009   9.460
   33    HG3  LYS   5           HG1      LYS   5   0.060  15.657   9.801
   34    HD2  LYS   5           HD2      LYS   5  -2.323  14.236  11.058
   35    HD3  LYS   5           HD1      LYS   5  -0.767  14.536  11.838
   36    HE2  LYS   5           HE2      LYS   5  -1.183  16.969  11.714
   37    HE3  LYS   5           HE1      LYS   5  -2.733  16.672  10.924
   38    HZ1  LYS   5           HZ1      LYS   5  -3.472  15.499  12.900
   39    HZ2  LYS   5           HZ2      LYS   5  -3.023  17.083  13.261
   40    HZ3  LYS   5           HZ3      LYS   5  -1.999  15.800  13.663
   41    H    CYS   6           HN       CYS   6   1.130  14.312   6.800
   42    HA   CYS   6           HA       CYS   6   0.178  11.581   6.485
   43    HB2  CYS   6           HB2      CYS   6   2.091  12.345   5.148
   44    HB3  CYS   6           HB1      CYS   6   2.974  12.768   6.609
   45    H    ASN   7           HN       ASN   7  -0.577  10.753   8.367
   46    HA   ASN   7           HA       ASN   7  -0.035  11.411  10.984
   47    HB2  ASN   7           HB2      ASN   7  -1.918   9.973  10.254
   48    HB3  ASN   7           HB1      ASN   7  -0.804   8.671   9.879
   49   HD21  ASN   7          HD21      ASN   7  -2.403  10.433  12.440
   50   HD22  ASN   7          HD22      ASN   7  -2.045   9.310  13.704
   51    H    VAL   8           HN       VAL   8   1.607   8.973   9.006
   52    HA   VAL   8           HA       VAL   8   3.066   7.650  11.019
   53    HB   VAL   8           HB       VAL   8   3.896   7.884   8.085
   54   HG11  VAL   8          HG11      VAL   8   4.432   5.691  10.122
   55   HG12  VAL   8          HG12      VAL   8   5.600   6.852   9.496
   56   HG13  VAL   8          HG13      VAL   8   4.900   5.646   8.418
   57   HG21  VAL   8          HG21      VAL   8   1.528   7.241   8.211
   58   HG22  VAL   8          HG22      VAL   8   1.912   5.917   9.313
   59   HG23  VAL   8          HG23      VAL   8   2.508   5.887   7.649
   60    H    CYS   9           HN       CYS   9   3.984  10.318   8.884
   61    HA   CYS   9           HA       CYS   9   6.695  10.576   9.927
   62    HB2  CYS   9           HB2      CYS   9   5.090  12.238   7.963
   63    HB3  CYS   9           HB1      CYS   9   6.729  12.631   8.442
   64    H    SER  10           HN       SER  10   3.580  12.018  10.406
   65    HA   SER  10           HA       SER  10   2.649  13.503  11.813
   66    HB2  SER  10           HB2      SER  10   5.405  13.854  13.079
   67    HB3  SER  10           HB1      SER  10   3.892  14.495  13.726
   68    HG   SER  10           HG       SER  10   4.702  11.804  13.469
   69    H    ARG  11           HN       ARG  11   4.451  14.074   9.310
   70    HA   ARG  11           HA       ARG  11   4.334  17.038   9.395
   71    HB2  ARG  11           HB2      ARG  11   6.225  15.223   7.824
   72    HB3  ARG  11           HB1      ARG  11   6.173  16.978   7.693
   73    HG2  ARG  11           HG2      ARG  11   6.911  15.419  10.198
   74    HG3  ARG  11           HG1      ARG  11   8.046  16.219   9.106
   75    HD2  ARG  11           HD2      ARG  11   7.045  18.398   9.662
   76    HD3  ARG  11           HD1      ARG  11   5.886  17.604  10.733
   77    HE   ARG  11           HE       ARG  11   8.459  16.855  11.555
   78   HH11  ARG  11          HH11      ARG  11   6.454  19.757  11.531
   79   HH12  ARG  11          HH12      ARG  11   7.303  20.490  12.857
   80   HH21  ARG  11          HH21      ARG  11   9.541  17.839  13.310
   81   HH22  ARG  11          HH22      ARG  11   9.034  19.406  13.861
   82    H    THR  12           HN       THR  12   4.709  17.293   6.512
   83    HA   THR  12           HA       THR  12   2.693  15.807   5.117
   84    HB   THR  12           HB       THR  12   1.238  17.342   6.495
   85    HG1  THR  12           HG1      THR  12   0.163  16.831   4.730
   86   HG21  THR  12          HG21      THR  12   2.707  19.341   6.564
   87   HG22  THR  12          HG22      THR  12   1.104  19.735   5.945
   88   HG23  THR  12          HG23      THR  12   2.465  19.582   4.831
   89    H    PHE  13           HN       PHE  13   2.191  16.876   2.927
   90    HA   PHE  13           HA       PHE  13   4.464  18.360   1.773
   91    HB2  PHE  13           HB2      PHE  13   3.410  16.300   0.571
   92    HB3  PHE  13           HB1      PHE  13   1.980  17.285   0.325
   93    HD1  PHE  13           HD2      PHE  13   5.624  17.042  -0.489
   94    HD2  PHE  13           HD1      PHE  13   1.888  18.853  -1.501
   95    HE1  PHE  13           HE2      PHE  13   6.596  17.889  -2.582
   96    HE2  PHE  13           HE1      PHE  13   2.867  19.707  -3.587
   97    HZ   PHE  13           HZ       PHE  13   5.222  19.222  -4.137
   98    H    PHE  14           HN       PHE  14   4.005  20.509   0.852
   99    HA   PHE  14           HA       PHE  14   1.938  21.933   2.328
  100    HB2  PHE  14           HB2      PHE  14   4.027  22.944   0.355
  101    HB3  PHE  14           HB1      PHE  14   2.983  23.972   1.332
  102    HD1  PHE  14           HD1      PHE  14   5.835  21.597   1.446
  103    HD2  PHE  14           HD2      PHE  14   3.418  24.306   3.707
  104    HE1  PHE  14           HE1      PHE  14   7.455  21.501   3.295
  105    HE2  PHE  14           HE2      PHE  14   5.057  24.223   5.543
  106    HZ   PHE  14           HZ       PHE  14   7.069  22.823   5.345
  107    H    SER  15           HN       SER  15   1.405  20.070  -0.114
  108    HA   SER  15           HA       SER  15  -0.987  21.523  -0.896
  109    HB2  SER  15           HB2      SER  15   0.847  20.204  -2.956
  110    HB3  SER  15           HB1      SER  15  -0.740  20.895  -3.284
  111    HG   SER  15           HG       SER  15   0.406  22.865  -2.218
  112    H    GLU  16           HN       GLU  16  -2.695  20.059  -1.473
  113    HA   GLU  16           HA       GLU  16  -2.733  17.858   0.321
  114    HB2  GLU  16           HB2      GLU  16  -4.836  18.800  -1.673
  115    HB3  GLU  16           HB1      GLU  16  -5.112  17.547  -0.471
  116    HG2  GLU  16           HG2      GLU  16  -6.072  19.579   0.345
  117    HG3  GLU  16           HG1      GLU  16  -4.667  19.202   1.334
  118    H    ASN  17           HN       ASN  17  -2.832  17.996  -3.257
  119    HA   ASN  17           HA       ASN  17  -3.335  15.186  -3.601
  120    HB2  ASN  17           HB2      ASN  17  -4.024  16.904  -5.272
  121    HB3  ASN  17           HB1      ASN  17  -2.335  17.259  -5.606
  122   HD21  ASN  17          HD21      ASN  17  -1.114  15.749  -6.832
  123   HD22  ASN  17          HD22      ASN  17  -1.867  14.513  -7.776
  124    H    GLY  18           HN       GLY  18  -0.521  17.201  -3.320
  125    HA2  GLY  18           HA2      GLY  18   1.471  15.342  -4.223
  126    HA3  GLY  18           HA1      GLY  18   1.751  16.802  -3.287
  127    H    LEU  19           HN       LEU  19   0.134  16.193  -1.029
  128    HA   LEU  19           HA       LEU  19   1.709  14.484   0.559
  129    HB2  LEU  19           HB2      LEU  19   0.273  16.375   1.327
  130    HB3  LEU  19           HB1      LEU  19  -1.146  15.428   0.999
  131    HG   LEU  19           HG       LEU  19  -0.275  15.664   3.475
  132   HD11  LEU  19          HD11      LEU  19  -1.116  13.438   4.115
  133   HD12  LEU  19          HD12      LEU  19  -1.098  12.949   2.420
  134   HD13  LEU  19          HD13      LEU  19  -2.162  14.254   2.952
  135   HD21  LEU  19          HD21      LEU  19   1.535  13.394   2.582
  136   HD22  LEU  19          HD22      LEU  19   1.310  13.985   4.230
  137   HD23  LEU  19          HD23      LEU  19   2.068  15.021   3.025
  138    H    ARG  20           HN       ARG  20  -1.410  13.987  -1.033
  139    HA   ARG  20           HA       ARG  20  -1.890  11.321  -0.360
  140    HB2  ARG  20           HB2      ARG  20  -2.553  12.685  -2.998
  141    HB3  ARG  20           HB1      ARG  20  -3.281  11.194  -2.406
  142    HG2  ARG  20           HG2      ARG  20  -3.531  13.921  -1.099
  143    HG3  ARG  20           HG1      ARG  20  -4.756  13.130  -2.084
  144    HD2  ARG  20           HD2      ARG  20  -3.691  12.118   0.578
  145    HD3  ARG  20           HD1      ARG  20  -5.240  12.922   0.325
  146    HE   ARG  20           HE       ARG  20  -5.336  10.771  -1.351
  147   HH11  ARG  20          HH11      ARG  20  -4.775  11.102   2.108
  148   HH12  ARG  20          HH12      ARG  20  -5.475   9.563   2.480
  149   HH21  ARG  20          HH21      ARG  20  -6.251   8.765  -0.835
  150   HH22  ARG  20          HH22      ARG  20  -6.322   8.238   0.817
  151    H    GLU  21           HN       GLU  21   0.172  12.640  -2.936
  152    HA   GLU  21           HA       GLU  21   0.913  10.162  -4.099
  153    HB2  GLU  21           HB2      GLU  21   1.310  12.881  -4.716
  154    HB3  GLU  21           HB1      GLU  21   2.929  12.300  -4.394
  155    HG2  GLU  21           HG2      GLU  21   2.584  12.102  -6.728
  156    HG3  GLU  21           HG1      GLU  21   2.517  10.462  -6.073
  157    H    HIS  22           HN       HIS  22   2.288  12.176  -1.571
  158    HA   HIS  22           HA       HIS  22   4.696  10.802  -1.072
  159    HB2  HIS  22           HB2      HIS  22   4.474  13.030  -0.204
  160    HB3  HIS  22           HB1      HIS  22   2.957  12.658   0.599
  161    HD1  HIS  22           HD1      HIS  22   6.687  12.184   1.012
  162    HD2  HIS  22           HD2      HIS  22   3.156  11.622   3.116
  163    HE1  HIS  22           HE1      HIS  22   7.353  11.522   3.367
  164    H    LEU  23           HN       LEU  23   1.416  10.382   0.118
  165    HA   LEU  23           HA       LEU  23   1.763   8.673   2.263
  166    HB2  LEU  23           HB2      LEU  23  -0.251   9.909   1.795
  167    HB3  LEU  23           HB1      LEU  23  -0.499   9.061   0.286
  168    HG   LEU  23           HG       LEU  23  -0.587   7.474   2.858
  169   HD11  LEU  23          HD11      LEU  23  -2.899   9.152   1.823
  170   HD12  LEU  23          HD12      LEU  23  -2.007   9.429   3.322
  171   HD13  LEU  23          HD13      LEU  23  -2.982   7.971   3.136
  172   HD21  LEU  23          HD21      LEU  23  -0.744   6.260   0.725
  173   HD22  LEU  23          HD22      LEU  23  -2.120   7.253   0.242
  174   HD23  LEU  23          HD23      LEU  23  -2.260   6.149   1.616
  175    H    GLN  24           HN       GLN  24   1.884   7.995  -1.157
  176    HA   GLN  24           HA       GLN  24   1.336   5.237  -1.165
  177    HB2  GLN  24           HB2      GLN  24   2.923   6.910  -3.127
  178    HB3  GLN  24           HB1      GLN  24   2.330   5.282  -3.437
  179    HG2  GLN  24           HG2      GLN  24   0.551   7.654  -2.813
  180    HG3  GLN  24           HG1      GLN  24   0.951   7.105  -4.422
  181   HE21  GLN  24          HE21      GLN  24  -1.188   6.742  -4.970
  182   HE22  GLN  24          HE22      GLN  24  -2.115   5.429  -4.337
  183    H    THR  25           HN       THR  25   4.205   6.931  -0.176
  184    HA   THR  25           HA       THR  25   6.133   4.858  -0.667
  185    HB   THR  25           HB       THR  25   7.638   6.172   0.781
  186    HG1  THR  25           HG1      THR  25   6.036   8.300   1.265
  187   HG21  THR  25          HG21      THR  25   7.372   6.949  -1.549
  188   HG22  THR  25          HG22      THR  25   7.646   8.311  -0.458
  189   HG23  THR  25          HG23      THR  25   6.019   7.970  -1.048
  190    H    HIS  26           HN       HIS  26   3.784   5.486   1.793
  191    HA   HIS  26           HA       HIS  26   4.993   3.673   3.769
  192    HB2  HIS  26           HB2      HIS  26   2.487   5.383   3.966
  193    HB3  HIS  26           HB1      HIS  26   3.188   4.444   5.285
  194    HD1  HIS  26           HD1      HIS  26   5.606   5.287   6.146
  195    HD2  HIS  26           HD2      HIS  26   3.567   7.851   3.596
  196    HE1  HIS  26           HE1      HIS  26   6.735   7.530   6.337
  197    H    ARG  27           HN       ARG  27   2.930   3.510   1.179
  198    HA   ARG  27           HA       ARG  27   1.474   1.128   2.017
  199    HB2  ARG  27           HB2      ARG  27   1.850   2.272  -0.788
  200    HB3  ARG  27           HB1      ARG  27   0.701   1.016  -0.324
  201    HG2  ARG  27           HG2      ARG  27   0.633   3.962   0.416
  202    HG3  ARG  27           HG1      ARG  27  -0.531   3.058  -0.561
  203    HD2  ARG  27           HD2      ARG  27  -0.065   2.852   2.435
  204    HD3  ARG  27           HD1      ARG  27  -1.516   3.425   1.607
  205    HE   ARG  27           HE       ARG  27  -0.982   0.748   0.850
  206   HH11  ARG  27          HH11      ARG  27  -2.263   2.598   3.549
  207   HH12  ARG  27          HH12      ARG  27  -3.075   1.237   4.249
  208   HH21  ARG  27          HH21      ARG  27  -2.024  -1.043   1.818
  209   HH22  ARG  27          HH22      ARG  27  -2.939  -0.819   3.278
  210    H    GLY  28           HN       GLY  28   4.595   1.900   1.006
  211    HA2  GLY  28           HA2      GLY  28   6.364   0.293   1.114
  212    HA3  GLY  28           HA1      GLY  28   5.303  -0.913   0.393
  213    HA   PRO  29           HA       PRO  29   7.834   1.367  -2.996
  214    HB2  PRO  29           HB2      PRO  29   9.252  -1.271  -3.139
  215    HB3  PRO  29           HB1      PRO  29   9.915   0.363  -3.295
  216    HG2  PRO  29           HG2      PRO  29  10.325  -1.084  -1.074
  217    HG3  PRO  29           HG1      PRO  29  10.030   0.668  -0.971
  218    HD2  PRO  29           HD2      PRO  29   8.119  -1.614  -0.454
  219    HD3  PRO  29           HD1      PRO  29   8.342  -0.101   0.454
  220    H    ALA  30           HN       ALA  30   6.539   1.275  -4.749
  221    HA   ALA  30           HA       ALA  30   5.569  -1.231  -5.878
  222    HB1  ALA  30           HB1      ALA  30   3.608   0.863  -4.848
  223    HB2  ALA  30           HB2      ALA  30   3.882  -0.730  -4.141
  224    HB3  ALA  30           HB3      ALA  30   3.205  -0.594  -5.763
  225    H    LYS  31           HN       LYS  31   6.790  -0.655  -7.608
  226    HA   LYS  31           HA       LYS  31   5.639   1.158  -9.550
  227    HB2  LYS  31           HB2      LYS  31   7.165   2.636  -8.232
  228    HB3  LYS  31           HB1      LYS  31   8.510   1.549  -8.574
  229    HG2  LYS  31           HG2      LYS  31   8.329   2.084 -10.991
  230    HG3  LYS  31           HG1      LYS  31   6.968   3.163 -10.647
  231    HD2  LYS  31           HD2      LYS  31   8.418   4.601  -9.279
  232    HD3  LYS  31           HD1      LYS  31   9.776   3.498  -9.518
  233    HE2  LYS  31           HE2      LYS  31   9.771   3.997 -11.931
  234    HE3  LYS  31           HE1      LYS  31   8.399   5.088 -11.715
  235    HZ1  LYS  31           HZ1      LYS  31   9.789   6.449 -10.269
  236    HZ2  LYS  31           HZ2      LYS  31  10.475   6.303 -11.806
  237    HZ3  LYS  31           HZ3      LYS  31  11.096   5.408 -10.520
  238    H    HIS  32           HN       HIS  32   5.282  -1.181 -10.103
  239    HA   HIS  32           HA       HIS  32   7.541  -2.708 -11.115
  240    HB2  HIS  32           HB2      HIS  32   5.916  -4.405 -11.750
  241    HB3  HIS  32           HB1      HIS  32   5.516  -3.826 -10.141
  242    HD1  HIS  32           HD1      HIS  32   3.276  -2.482  -9.892
  243    HD2  HIS  32           HD2      HIS  32   3.950  -3.950 -13.720
  244    HE1  HIS  32           HE1      HIS  32   1.089  -2.271 -11.086
  245    HE2  HIS  32           HE2      HIS  32   1.581  -2.953 -13.457
  246    H    TYR  33           HN       TYR  33   7.820  -3.288 -13.358
  247    HA   TYR  33           HA       TYR  33   6.763  -1.335 -15.292
  248    HB2  TYR  33           HB2      TYR  33   9.282  -1.641 -16.292
  249    HB3  TYR  33           HB1      TYR  33   8.827  -0.337 -15.211
  250    HD1  TYR  33           HD1      TYR  33  10.282  -3.810 -15.135
  251    HD2  TYR  33           HD2      TYR  33  10.088   0.010 -13.230
  252    HE1  TYR  33           HE1      TYR  33  12.042  -4.497 -13.568
  253    HE2  TYR  33           HE2      TYR  33  11.851  -0.685 -11.667
  254    HH   TYR  33           HH       TYR  33  13.760  -3.425 -12.167
  255    H    MET  34           HN       MET  34   5.378  -2.743 -16.129
  256    HA   MET  34           HA       MET  34   6.346  -5.318 -17.220
  257    HB2  MET  34           HB2      MET  34   5.053  -5.706 -15.149
  258    HB3  MET  34           HB1      MET  34   3.726  -4.727 -15.761
  259    HG2  MET  34           HG2      MET  34   3.288  -6.384 -17.515
  260    HG3  MET  34           HG1      MET  34   4.657  -7.349 -16.959
  261    HE1  MET  34           HE1      MET  34   2.016  -5.413 -14.666
  262    HE2  MET  34           HE2      MET  34   0.818  -6.690 -14.429
  263    HE3  MET  34           HE3      MET  34   1.059  -5.984 -16.026
  264    H    CYS  35           HN       CYS  35   5.983  -5.503 -19.361
  265    HA   CYS  35           HA       CYS  35   4.200  -3.697 -20.779
  266    HB2  CYS  35           HB2      CYS  35   6.299  -4.330 -21.838
  267    HB3  CYS  35           HB1      CYS  35   5.916  -6.017 -21.667
  268    HA   PRO  36           HA       PRO  36   0.488  -6.465 -20.557
  269    HB2  PRO  36           HB2      PRO  36   0.061  -4.804 -23.065
  270    HB3  PRO  36           HB1      PRO  36  -1.118  -5.293 -21.835
  271    HG2  PRO  36           HG2      PRO  36  -0.098  -2.833 -21.799
  272    HG3  PRO  36           HG1      PRO  36  -0.345  -3.720 -20.278
  273    HD2  PRO  36           HD2      PRO  36   2.204  -3.122 -21.728
  274    HD3  PRO  36           HD1      PRO  36   1.915  -3.323 -19.987
  275    H    ILE  37           HN       ILE  37   2.092  -5.760 -23.738
  276    HA   ILE  37           HA       ILE  37   1.054  -8.096 -24.977
  277    HB   ILE  37           HB       ILE  37   3.182  -6.077 -25.790
  278   HG12  ILE  37          HG12      ILE  37   0.276  -6.462 -26.669
  279   HG13  ILE  37          HG11      ILE  37   0.861  -5.196 -25.598
  280   HG21  ILE  37          HG21      ILE  37   2.052  -8.319 -27.513
  281   HG22  ILE  37          HG22      ILE  37   3.722  -8.126 -26.970
  282   HG23  ILE  37          HG23      ILE  37   3.036  -6.970 -28.113
  283   HD11  ILE  37          HD11      ILE  37   2.155  -4.258 -27.450
  284   HD12  ILE  37          HD12      ILE  37   0.431  -4.341 -27.809
  285   HD13  ILE  37          HD13      ILE  37   1.536  -5.519 -28.519
  286    H    CYS  38           HN       CYS  38   4.496  -7.315 -24.112
  287    HA   CYS  38           HA       CYS  38   5.149 -10.172 -24.508
  288    HB2  CYS  38           HB2      CYS  38   7.430  -8.327 -24.370
  289    HB3  CYS  38           HB1      CYS  38   7.019  -9.515 -25.579
  290    H    GLY  39           HN       GLY  39   6.039  -7.497 -22.300
  291    HA2  GLY  39           HA2      GLY  39   5.620  -7.504 -20.024
  292    HA3  GLY  39           HA1      GLY  39   5.585  -9.259 -20.040
  293    H    GLU  40           HN       GLU  40   8.173  -7.484 -21.475
  294    HA   GLU  40           HA       GLU  40  10.160  -8.528 -19.701
  295    HB2  GLU  40           HB2      GLU  40  11.760  -7.138 -21.039
  296    HB3  GLU  40           HB1      GLU  40  10.822  -8.281 -21.979
  297    HG2  GLU  40           HG2      GLU  40   9.948  -5.397 -21.758
  298    HG3  GLU  40           HG1      GLU  40  11.196  -5.873 -22.889
  299    H    ARG  41           HN       ARG  41  11.846  -7.093 -18.738
  300    HA   ARG  41           HA       ARG  41  10.588  -4.899 -17.196
  301    HB2  ARG  41           HB2      ARG  41  12.782  -6.826 -16.274
  302    HB3  ARG  41           HB1      ARG  41  12.069  -5.542 -15.313
  303    HG2  ARG  41           HG2      ARG  41  10.996  -7.447 -14.483
  304    HG3  ARG  41           HG1      ARG  41   9.824  -6.823 -15.645
  305    HD2  ARG  41           HD2      ARG  41  10.845  -8.460 -17.336
  306    HD3  ARG  41           HD1      ARG  41  11.700  -9.180 -15.970
  307    HE   ARG  41           HE       ARG  41   9.009  -9.065 -15.279
  308   HH11  ARG  41          HH11      ARG  41  11.004 -10.769 -17.606
  309   HH12  ARG  41          HH12      ARG  41   9.853 -12.045 -17.838
  310   HH21  ARG  41          HH21      ARG  41   7.498 -10.728 -15.603
  311   HH22  ARG  41          HH22      ARG  41   7.862 -12.026 -16.695
  312    H    PHE  42           HN       PHE  42  11.689  -3.006 -17.064
  313    HA   PHE  42           HA       PHE  42  14.414  -2.777 -18.220
  314    HB2  PHE  42           HB2      PHE  42  12.005  -0.935 -18.550
  315    HB3  PHE  42           HB1      PHE  42  13.647  -0.444 -18.951
  316    HD1  PHE  42           HD2      PHE  42  14.904  -1.634 -20.784
  317    HD2  PHE  42           HD1      PHE  42  10.749  -2.343 -20.073
  318    HE1  PHE  42           HE2      PHE  42  14.689  -2.654 -23.016
  319    HE2  PHE  42           HE1      PHE  42  10.550  -3.360 -22.294
  320    HZ   PHE  42           HZ       PHE  42  12.509  -3.516 -23.773
  321    HA   PRO  43           HA       PRO  43  16.089  -0.926 -14.558
  322    HB2  PRO  43           HB2      PRO  43  16.797   1.718 -15.391
  323    HB3  PRO  43           HB1      PRO  43  17.809   0.267 -15.454
  324    HG2  PRO  43           HG2      PRO  43  16.080   1.471 -17.608
  325    HG3  PRO  43           HG1      PRO  43  17.703   0.753 -17.739
  326    HD2  PRO  43           HD2      PRO  43  15.578  -0.626 -18.538
  327    HD3  PRO  43           HD1      PRO  43  16.843  -1.460 -17.606
  328    H    SER  44           HN       SER  44  13.635   1.081 -16.147
  329    HA   SER  44           HA       SER  44  12.289   1.441 -13.613
  330    HB2  SER  44           HB2      SER  44  13.923   3.407 -13.762
  331    HB3  SER  44           HB1      SER  44  12.996   3.979 -15.143
  332    HG   SER  44           HG       SER  44  12.505   4.348 -12.568
  333    H    LEU  45           HN       LEU  45  10.356   3.073 -14.098
  334    HA   LEU  45           HA       LEU  45   8.730   1.693 -16.098
  335    HB2  LEU  45           HB2      LEU  45   8.033   1.938 -13.698
  336    HB3  LEU  45           HB1      LEU  45   7.975   3.678 -13.899
  337    HG   LEU  45           HG       LEU  45   6.061   3.456 -15.466
  338   HD11  LEU  45          HD11      LEU  45   4.965   1.283 -15.830
  339   HD12  LEU  45          HD12      LEU  45   6.287   0.475 -14.987
  340   HD13  LEU  45          HD13      LEU  45   6.591   1.317 -16.509
  341   HD21  LEU  45          HD21      LEU  45   5.628   1.927 -12.874
  342   HD22  LEU  45          HD22      LEU  45   4.362   2.658 -13.862
  343   HD23  LEU  45          HD23      LEU  45   5.556   3.684 -13.069
  344    H    LEU  46           HN       LEU  46  10.639   3.362 -17.251
  345    HA   LEU  46           HA       LEU  46   9.158   5.622 -18.392
  346    HB2  LEU  46           HB2      LEU  46  12.014   5.757 -17.302
  347    HB3  LEU  46           HB1      LEU  46  11.385   6.914 -18.451
  348    HG   LEU  46           HG       LEU  46  11.309   8.006 -16.351
  349   HD11  LEU  46          HD11      LEU  46   8.948   8.456 -15.955
  350   HD12  LEU  46          HD12      LEU  46   8.490   7.018 -16.867
  351   HD13  LEU  46          HD13      LEU  46   9.289   8.368 -17.681
  352   HD21  LEU  46          HD21      LEU  46  11.603   6.075 -14.874
  353   HD22  LEU  46          HD22      LEU  46   9.924   5.606 -15.128
  354   HD23  LEU  46          HD23      LEU  46  10.300   7.119 -14.301
  355    H    THR  47           HN       THR  47  12.219   3.817 -18.475
  356    HA   THR  47           HA       THR  47  12.537   3.652 -21.267
  357    HB   THR  47           HB       THR  47  13.995   1.590 -20.648
  358    HG1  THR  47           HG1      THR  47  14.269   1.202 -18.481
  359   HG21  THR  47          HG21      THR  47  14.580   4.227 -19.228
  360   HG22  THR  47          HG22      THR  47  14.973   3.864 -20.910
  361   HG23  THR  47          HG23      THR  47  15.758   2.968 -19.612
  362    H    LEU  48           HN       LEU  48  10.656   1.682 -19.013
  363    HA   LEU  48           HA       LEU  48   9.828  -0.370 -20.781
  364    HB2  LEU  48           HB2      LEU  48   9.664  -0.424 -18.298
  365    HB3  LEU  48           HB1      LEU  48   8.428   0.809 -18.350
  366    HG   LEU  48           HG       LEU  48   7.703  -1.632 -17.911
  367   HD11  LEU  48          HD11      LEU  48   6.062   0.107 -18.367
  368   HD12  LEU  48          HD12      LEU  48   5.579  -1.420 -19.099
  369   HD13  LEU  48          HD13      LEU  48   6.254  -0.136 -20.107
  370   HD21  LEU  48          HD21      LEU  48   7.304  -3.081 -19.845
  371   HD22  LEU  48          HD22      LEU  48   9.023  -2.724 -19.664
  372   HD23  LEU  48          HD23      LEU  48   8.078  -1.901 -20.908
  373    H    THR  49           HN       THR  49   8.646   2.894 -20.204
  374    HA   THR  49           HA       THR  49   6.265   2.752 -21.777
  375    HB   THR  49           HB       THR  49   7.881   5.195 -20.932
  376    HG1  THR  49           HG1      THR  49   6.974   4.975 -19.008
  377   HG21  THR  49          HG21      THR  49   4.939   4.961 -21.697
  378   HG22  THR  49          HG22      THR  49   6.195   5.734 -22.667
  379   HG23  THR  49          HG23      THR  49   5.740   6.423 -21.109
  380    H    GLU  50           HN       GLU  50   9.581   3.823 -22.393
  381    HA   GLU  50           HA       GLU  50   9.374   4.632 -25.068
  382    HB2  GLU  50           HB2      GLU  50  11.739   3.209 -23.784
  383    HB3  GLU  50           HB1      GLU  50  11.790   4.215 -25.231
  384    HG2  GLU  50           HG2      GLU  50  11.234   5.111 -22.392
  385    HG3  GLU  50           HG1      GLU  50  12.668   5.446 -23.348
  386    H    HIS  51           HN       HIS  51   9.711   1.397 -23.691
  387    HA   HIS  51           HA       HIS  51   9.873  -0.028 -26.160
  388    HB2  HIS  51           HB2      HIS  51  10.679  -1.147 -24.208
  389    HB3  HIS  51           HB1      HIS  51   9.185  -0.859 -23.322
  390    HD1  HIS  51           HD1      HIS  51  10.429  -2.934 -26.281
  391    HD2  HIS  51           HD2      HIS  51   7.392  -2.858 -23.455
  392    HE1  HIS  51           HE1      HIS  51   9.035  -5.002 -26.681
  393    H    LYS  52           HN       LYS  52   7.213   1.143 -24.220
  394    HA   LYS  52           HA       LYS  52   5.153  -0.550 -25.077
  395    HB2  LYS  52           HB2      LYS  52   5.104   0.964 -23.079
  396    HB3  LYS  52           HB1      LYS  52   4.908   2.340 -24.155
  397    HG2  LYS  52           HG2      LYS  52   2.741   1.366 -24.947
  398    HG3  LYS  52           HG1      LYS  52   2.938   0.053 -23.780
  399    HD2  LYS  52           HD2      LYS  52   2.661   3.020 -23.125
  400    HD3  LYS  52           HD1      LYS  52   1.421   1.784 -22.907
  401    HE2  LYS  52           HE2      LYS  52   2.831   0.660 -21.221
  402    HE3  LYS  52           HE1      LYS  52   4.087   1.880 -21.441
  403    HZ1  LYS  52           HZ1      LYS  52   1.334   2.386 -20.457
  404    HZ2  LYS  52           HZ2      LYS  52   2.534   3.559 -20.648
  405    HZ3  LYS  52           HZ3      LYS  52   2.725   2.333 -19.501
  406    H    VAL  53           HN       VAL  53   6.352   2.500 -26.462
  407    HA   VAL  53           HA       VAL  53   4.250   2.701 -28.429
  408    HB   VAL  53           HB       VAL  53   5.478   4.660 -29.250
  409   HG11  VAL  53          HG11      VAL  53   5.330   4.617 -26.207
  410   HG12  VAL  53          HG12      VAL  53   3.999   4.971 -27.310
  411   HG13  VAL  53          HG13      VAL  53   5.373   6.071 -27.212
  412   HG21  VAL  53          HG21      VAL  53   7.803   3.878 -29.010
  413   HG22  VAL  53          HG22      VAL  53   7.665   3.936 -27.252
  414   HG23  VAL  53          HG23      VAL  53   7.594   5.430 -28.194
  415    H    THR  54           HN       THR  54   7.500   1.352 -28.334
  416    HA   THR  54           HA       THR  54   7.834   1.227 -31.189
  417    HB   THR  54           HB       THR  54   9.949  -0.099 -30.560
  418    HG1  THR  54           HG1      THR  54   9.180  -0.830 -28.531
  419   HG21  THR  54          HG21      THR  54   9.578   2.646 -29.309
  420   HG22  THR  54          HG22      THR  54  10.031   2.329 -30.985
  421   HG23  THR  54          HG23      THR  54  11.127   1.879 -29.678
  422    H    HIS  55           HN       HIS  55   5.610  -0.535 -29.749
  423    HA   HIS  55           HA       HIS  55   6.101  -3.125 -30.882
  424    HB2  HIS  55           HB2      HIS  55   3.477  -1.760 -30.152
  425    HB3  HIS  55           HB1      HIS  55   3.628  -3.443 -30.632
  426    HD1  HIS  55           HD1      HIS  55   3.408  -1.450 -27.704
  427    HD2  HIS  55           HD2      HIS  55   5.556  -4.856 -28.738
  428    HE1  HIS  55           HE1      HIS  55   4.063  -2.563 -25.542
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -10.608  22.770   7.839
    2    H2   MET   1           HT2      MET   1 -12.238  23.087   7.543
    3    H3   MET   1           HT3      MET   1 -11.263  22.456   6.313
    4    HA   MET   1           HA       MET   1 -11.976  21.100   8.839
    5    HB2  MET   1           HB2      MET   1 -12.926  20.657   5.971
    6    HB3  MET   1           HB1      MET   1 -13.184  19.491   7.263
    7    HG2  MET   1           HG2      MET   1 -14.268  22.315   7.229
    8    HG3  MET   1           HG1      MET   1 -15.181  20.855   6.828
    9    HE1  MET   1           HE1      MET   1 -16.822  21.590  10.264
   10    HE2  MET   1           HE2      MET   1 -17.090  21.014   8.620
   11    HE3  MET   1           HE3      MET   1 -16.505  22.657   8.893
   12    H    GLY   2           HN       GLY   2 -10.895  20.256   5.527
   13    HA2  GLY   2           HA2      GLY   2  -9.393  18.029   6.113
   14    HA3  GLY   2           HA1      GLY   2  -9.174  19.059   4.708
   15    H    SER   3           HN       SER   3  -8.067  18.368   7.942
   16    HA   SER   3           HA       SER   3  -5.666  20.000   7.652
   17    HB2  SER   3           HB2      SER   3  -6.579  18.226   9.965
   18    HB3  SER   3           HB1      SER   3  -5.252  19.388   9.989
   19    HG   SER   3           HG       SER   3  -7.827  20.270   9.298
   20    H    HIS   4           HN       HIS   4  -4.626  19.012   6.156
   21    HA   HIS   4           HA       HIS   4  -4.158  16.116   6.037
   22    HB2  HIS   4           HB2      HIS   4  -3.239  18.311   4.126
   23    HB3  HIS   4           HB1      HIS   4  -3.040  16.582   3.863
   24    HD1  HIS   4           HD1      HIS   4  -5.028  15.319   2.906
   25    HD2  HIS   4           HD2      HIS   4  -5.943  19.241   3.907
   26    HE1  HIS   4           HE1      HIS   4  -7.313  15.732   1.972
   27    HE2  HIS   4           HE2      HIS   4  -7.757  18.164   2.425
   28    H    LYS   5           HN       LYS   5  -3.088  16.485   8.211
   29    HA   LYS   5           HA       LYS   5  -0.159  16.719   7.871
   30    HB2  LYS   5           HB2      LYS   5  -1.055  17.873   9.866
   31    HB3  LYS   5           HB1      LYS   5  -1.835  16.389  10.409
   32    HG2  LYS   5           HG2      LYS   5   0.337  15.327  10.781
   33    HG3  LYS   5           HG1      LYS   5   1.171  16.725  10.096
   34    HD2  LYS   5           HD2      LYS   5   0.242  18.125  11.970
   35    HD3  LYS   5           HD1      LYS   5  -0.430  16.654  12.684
   36    HE2  LYS   5           HE2      LYS   5   1.821  15.726  12.970
   37    HE3  LYS   5           HE1      LYS   5   2.528  17.102  12.124
   38    HZ1  LYS   5           HZ1      LYS   5   1.744  18.541  13.897
   39    HZ2  LYS   5           HZ2      LYS   5   2.772  17.338  14.494
   40    HZ3  LYS   5           HZ3      LYS   5   1.104  17.210  14.720
   41    H    CYS   6           HN       CYS   6   0.967  14.849   7.597
   42    HA   CYS   6           HA       CYS   6  -0.523  12.375   7.415
   43    HB2  CYS   6           HB2      CYS   6   1.042  12.926   5.630
   44    HB3  CYS   6           HB1      CYS   6   2.364  13.060   6.785
   45    H    ASN   7           HN       ASN   7  -0.980  11.799   9.530
   46    HA   ASN   7           HA       ASN   7   0.560  12.156  11.793
   47    HB2  ASN   7           HB2      ASN   7  -0.987  10.641  12.953
   48    HB3  ASN   7           HB1      ASN   7  -1.860  11.710  11.864
   49   HD21  ASN   7          HD21      ASN   7  -2.625   9.095  12.992
   50   HD22  ASN   7          HD22      ASN   7  -2.998   8.090  11.640
   51    H    VAL   8           HN       VAL   8   0.726   9.463   9.563
   52    HA   VAL   8           HA       VAL   8   1.668   7.379  11.128
   53    HB   VAL   8           HB       VAL   8   2.441   7.958   8.220
   54   HG11  VAL   8          HG11      VAL   8   2.741   5.516   7.984
   55   HG12  VAL   8          HG12      VAL   8   2.439   5.298   9.710
   56   HG13  VAL   8          HG13      VAL   8   3.864   6.188   9.163
   57   HG21  VAL   8          HG21      VAL   8   0.060   6.400   9.295
   58   HG22  VAL   8          HG22      VAL   8   0.491   6.600   7.594
   59   HG23  VAL   8          HG23      VAL   8   0.010   8.002   8.547
   60    H    CYS   9           HN       CYS   9   3.675   9.539   9.149
   61    HA   CYS   9           HA       CYS   9   6.120   8.909  10.681
   62    HB2  CYS   9           HB2      CYS   9   7.236  10.074   8.848
   63    HB3  CYS   9           HB1      CYS   9   6.141   8.854   8.230
   64    H    SER  10           HN       SER  10   3.907  11.440   9.986
   65    HA   SER  10           HA       SER  10   3.130  13.127  11.320
   66    HB2  SER  10           HB2      SER  10   5.765  13.048  12.848
   67    HB3  SER  10           HB1      SER  10   4.365  14.024  13.279
   68    HG   SER  10           HG       SER  10   3.229  11.878  13.303
   69    H    ARG  11           HN       ARG  11   5.009  13.158   8.891
   70    HA   ARG  11           HA       ARG  11   5.715  16.028   8.888
   71    HB2  ARG  11           HB2      ARG  11   6.446  13.802   6.942
   72    HB3  ARG  11           HB1      ARG  11   6.981  15.477   6.801
   73    HG2  ARG  11           HG2      ARG  11   7.641  13.584   9.083
   74    HG3  ARG  11           HG1      ARG  11   8.733  14.056   7.776
   75    HD2  ARG  11           HD2      ARG  11   8.849  16.308   8.562
   76    HD3  ARG  11           HD1      ARG  11   7.498  16.078   9.676
   77    HE   ARG  11           HE       ARG  11  10.238  15.037   9.999
   78   HH11  ARG  11          HH11      ARG  11   7.062  15.577  11.410
   79   HH12  ARG  11          HH12      ARG  11   7.600  15.289  13.031
   80   HH21  ARG  11          HH21      ARG  11  10.933  14.683  12.140
   81   HH22  ARG  11          HH22      ARG  11   9.802  14.791  13.447
   82    H    THR  12           HN       THR  12   5.413  17.015   6.481
   83    HA   THR  12           HA       THR  12   2.602  16.566   5.684
   84    HB   THR  12           HB       THR  12   2.571  18.280   7.485
   85    HG1  THR  12           HG1      THR  12   0.903  18.853   6.314
   86   HG21  THR  12          HG21      THR  12   3.471  20.543   7.083
   87   HG22  THR  12          HG22      THR  12   4.218  19.982   5.585
   88   HG23  THR  12          HG23      THR  12   4.767  19.345   7.138
   89    H    PHE  13           HN       PHE  13   1.944  17.851   3.854
   90    HA   PHE  13           HA       PHE  13   3.675  17.497   1.610
   91    HB2  PHE  13           HB2      PHE  13   1.677  18.066   0.288
   92    HB3  PHE  13           HB1      PHE  13   1.253  16.958   1.582
   93    HD1  PHE  13           HD1      PHE  13   0.098  17.908   3.688
   94    HD2  PHE  13           HD2      PHE  13   0.574  20.194   0.119
   95    HE1  PHE  13           HE1      PHE  13  -1.668  19.446   4.423
   96    HE2  PHE  13           HE2      PHE  13  -1.190  21.721   0.862
   97    HZ   PHE  13           HZ       PHE  13  -2.325  21.352   3.017
   98    H    PHE  14           HN       PHE  14   3.208  19.268  -0.232
   99    HA   PHE  14           HA       PHE  14   3.967  21.974   0.709
  100    HB2  PHE  14           HB2      PHE  14   4.777  20.762  -1.980
  101    HB3  PHE  14           HB1      PHE  14   5.389  22.236  -1.229
  102    HD1  PHE  14           HD2      PHE  14   6.768  21.993   0.935
  103    HD2  PHE  14           HD1      PHE  14   5.875  18.685  -1.625
  104    HE1  PHE  14           HE2      PHE  14   8.603  20.709   1.941
  105    HE2  PHE  14           HE1      PHE  14   7.708  17.408  -0.607
  106    HZ   PHE  14           HZ       PHE  14   9.081  18.420   1.172
  107    H    SER  15           HN       SER  15   2.684  20.160  -2.092
  108    HA   SER  15           HA       SER  15   0.333  21.959  -2.267
  109    HB2  SER  15           HB2      SER  15   1.650  20.317  -4.479
  110    HB3  SER  15           HB1      SER  15   0.211  21.315  -4.666
  111    HG   SER  15           HG       SER  15   1.493  23.118  -4.094
  112    H    GLU  16           HN       GLU  16  -1.644  20.743  -3.156
  113    HA   GLU  16           HA       GLU  16  -2.439  19.025  -1.115
  114    HB2  GLU  16           HB2      GLU  16  -4.569  18.796  -2.366
  115    HB3  GLU  16           HB1      GLU  16  -4.020  20.466  -2.242
  116    HG2  GLU  16           HG2      GLU  16  -3.070  20.209  -4.591
  117    HG3  GLU  16           HG1      GLU  16  -3.905  18.658  -4.677
  118    H    ASN  17           HN       ASN  17  -1.598  18.144  -4.461
  119    HA   ASN  17           HA       ASN  17  -2.256  15.373  -4.209
  120    HB2  ASN  17           HB2      ASN  17  -2.218  16.505  -6.391
  121    HB3  ASN  17           HB1      ASN  17  -0.493  16.816  -6.233
  122   HD21  ASN  17          HD21      ASN  17   0.949  15.197  -6.745
  123   HD22  ASN  17          HD22      ASN  17   0.483  13.681  -7.426
  124    H    GLY  18           HN       GLY  18   0.409  17.243  -3.190
  125    HA2  GLY  18           HA2      GLY  18   2.559  15.435  -3.211
  126    HA3  GLY  18           HA1      GLY  18   2.385  16.806  -2.127
  127    H    LEU  19           HN       LEU  19   0.157  16.095  -0.631
  128    HA   LEU  19           HA       LEU  19   1.226  14.256   1.262
  129    HB2  LEU  19           HB2      LEU  19  -0.560  16.204   1.521
  130    HB3  LEU  19           HB1      LEU  19  -1.726  14.957   1.175
  131    HG   LEU  19           HG       LEU  19  -1.536  15.383   3.597
  132   HD11  LEU  19          HD11      LEU  19  -2.164  13.110   2.931
  133   HD12  LEU  19          HD12      LEU  19  -1.278  13.131   4.455
  134   HD13  LEU  19          HD13      LEU  19  -0.465  12.622   2.972
  135   HD21  LEU  19          HD21      LEU  19   0.489  14.843   4.875
  136   HD22  LEU  19          HD22      LEU  19   0.775  16.145   3.721
  137   HD23  LEU  19          HD23      LEU  19   1.361  14.513   3.375
  138    H    ARG  20           HN       ARG  20  -1.280  14.022  -1.200
  139    HA   ARG  20           HA       ARG  20  -2.307  11.475  -0.696
  140    HB2  ARG  20           HB2      ARG  20  -2.051  12.919  -3.371
  141    HB3  ARG  20           HB1      ARG  20  -3.115  11.551  -3.063
  142    HG2  ARG  20           HG2      ARG  20  -3.323  14.215  -1.614
  143    HG3  ARG  20           HG1      ARG  20  -4.251  13.798  -3.057
  144    HD2  ARG  20           HD2      ARG  20  -4.346  12.214  -0.463
  145    HD3  ARG  20           HD1      ARG  20  -5.500  13.481  -0.899
  146    HE   ARG  20           HE       ARG  20  -5.631  11.839  -3.032
  147   HH11  ARG  20          HH11      ARG  20  -5.776  11.052   0.391
  148   HH12  ARG  20          HH12      ARG  20  -6.918   9.770   0.160
  149   HH21  ARG  20          HH21      ARG  20  -7.094  10.158  -3.309
  150   HH22  ARG  20          HH22      ARG  20  -7.685   9.283  -1.933
  151    H    GLU  21           HN       GLU  21   0.194  12.402  -3.082
  152    HA   GLU  21           HA       GLU  21   0.967   9.916  -4.025
  153    HB2  GLU  21           HB2      GLU  21   1.656  12.058  -5.050
  154    HB3  GLU  21           HB1      GLU  21   2.634  12.436  -3.637
  155    HG2  GLU  21           HG2      GLU  21   4.064  10.438  -4.165
  156    HG3  GLU  21           HG1      GLU  21   3.135  10.212  -5.647
  157    H    HIS  22           HN       HIS  22   2.286  11.825  -1.385
  158    HA   HIS  22           HA       HIS  22   4.321  10.137  -0.481
  159    HB2  HIS  22           HB2      HIS  22   4.301  12.453   0.140
  160    HB3  HIS  22           HB1      HIS  22   2.686  12.345   0.817
  161    HD1  HIS  22           HD1      HIS  22   6.264  11.305   1.632
  162    HD2  HIS  22           HD2      HIS  22   2.552  11.765   3.421
  163    HE1  HIS  22           HE1      HIS  22   6.617  10.956   4.106
  164    H    LEU  23           HN       LEU  23   0.892  10.182   0.236
  165    HA   LEU  23           HA       LEU  23   0.921   8.398   2.468
  166    HB2  LEU  23           HB2      LEU  23  -0.836  10.165   1.864
  167    HB3  LEU  23           HB1      LEU  23  -1.427   9.028   0.662
  168    HG   LEU  23           HG       LEU  23  -1.809   7.364   2.517
  169   HD11  LEU  23          HD11      LEU  23  -1.826   8.185   4.860
  170   HD12  LEU  23          HD12      LEU  23  -1.115   9.706   4.313
  171   HD13  LEU  23          HD13      LEU  23  -0.207   8.200   4.155
  172   HD21  LEU  23          HD21      LEU  23  -3.684   8.712   1.668
  173   HD22  LEU  23          HD22      LEU  23  -3.278  10.014   2.788
  174   HD23  LEU  23          HD23      LEU  23  -3.850   8.462   3.407
  175    H    GLN  24           HN       GLN  24   0.698   8.002  -1.030
  176    HA   GLN  24           HA       GLN  24  -0.296   5.286  -0.959
  177    HB2  GLN  24           HB2      GLN  24   0.813   6.968  -3.253
  178    HB3  GLN  24           HB1      GLN  24   0.021   5.405  -3.427
  179    HG2  GLN  24           HG2      GLN  24  -2.071   6.371  -2.523
  180    HG3  GLN  24           HG1      GLN  24  -1.274   7.929  -2.367
  181   HE21  GLN  24          HE21      GLN  24  -3.633   7.332  -3.880
  182   HE22  GLN  24          HE22      GLN  24  -3.296   7.720  -5.528
  183    H    THR  25           HN       THR  25   2.762   6.989  -1.398
  184    HA   THR  25           HA       THR  25   4.333   4.664  -2.075
  185    HB   THR  25           HB       THR  25   6.246   6.284  -1.928
  186    HG1  THR  25           HG1      THR  25   4.740   8.543  -1.742
  187   HG21  THR  25          HG21      THR  25   5.015   6.079  -4.073
  188   HG22  THR  25          HG22      THR  25   5.593   7.725  -3.818
  189   HG23  THR  25          HG23      THR  25   3.891   7.338  -3.547
  190    H    HIS  26           HN       HIS  26   3.067   5.745   0.833
  191    HA   HIS  26           HA       HIS  26   5.142   5.445   2.683
  192    HB2  HIS  26           HB2      HIS  26   2.341   5.998   2.800
  193    HB3  HIS  26           HB1      HIS  26   2.608   4.665   3.910
  194    HD1  HIS  26           HD1      HIS  26   5.181   5.411   5.346
  195    HD2  HIS  26           HD2      HIS  26   2.331   8.197   4.198
  196    HE1  HIS  26           HE1      HIS  26   5.570   7.462   6.790
  197    H    ARG  27           HN       ARG  27   4.212   2.942   0.767
  198    HA   ARG  27           HA       ARG  27   4.049   0.769   2.615
  199    HB2  ARG  27           HB2      ARG  27   4.383  -0.683   0.670
  200    HB3  ARG  27           HB1      ARG  27   3.195   0.560   0.303
  201    HG2  ARG  27           HG2      ARG  27   4.702   1.743  -1.121
  202    HG3  ARG  27           HG1      ARG  27   6.097   0.848  -0.512
  203    HD2  ARG  27           HD2      ARG  27   3.855  -0.263  -2.240
  204    HD3  ARG  27           HD1      ARG  27   5.520   0.060  -2.747
  205    HE   ARG  27           HE       ARG  27   5.407  -1.746  -0.518
  206   HH11  ARG  27          HH11      ARG  27   5.218  -1.657  -4.035
  207   HH12  ARG  27          HH12      ARG  27   5.501  -3.361  -4.199
  208   HH21  ARG  27          HH21      ARG  27   5.808  -3.948  -0.761
  209   HH22  ARG  27          HH22      ARG  27   5.857  -4.650  -2.348
  210    H    GLY  28           HN       GLY  28   6.698   2.662   1.316
  211    HA2  GLY  28           HA2      GLY  28   8.799   0.846   2.176
  212    HA3  GLY  28           HA1      GLY  28   8.986   2.470   1.538
  213    HA   PRO  29           HA       PRO  29   9.708   2.499   6.151
  214    HB2  PRO  29           HB2      PRO  29  12.314   3.143   6.267
  215    HB3  PRO  29           HB1      PRO  29  11.802   1.528   5.755
  216    HG2  PRO  29           HG2      PRO  29  12.727   3.842   4.075
  217    HG3  PRO  29           HG1      PRO  29  13.104   2.114   3.912
  218    HD2  PRO  29           HD2      PRO  29  11.125   3.487   2.459
  219    HD3  PRO  29           HD1      PRO  29  11.221   1.723   2.633
  220    H    ALA  30           HN       ALA  30   9.363   4.147   7.480
  221    HA   ALA  30           HA       ALA  30  10.051   6.951   6.786
  222    HB1  ALA  30           HB1      ALA  30   7.616   6.617   7.047
  223    HB2  ALA  30           HB2      ALA  30   8.245   7.614   8.363
  224    HB3  ALA  30           HB3      ALA  30   7.870   5.910   8.644
  225    H    LYS  31           HN       LYS  31  11.892   5.073   7.714
  226    HA   LYS  31           HA       LYS  31  12.103   4.955  10.596
  227    HB2  LYS  31           HB2      LYS  31  12.532   2.999   9.126
  228    HB3  LYS  31           HB1      LYS  31  13.862   3.853   8.355
  229    HG2  LYS  31           HG2      LYS  31  15.121   3.827  10.487
  230    HG3  LYS  31           HG1      LYS  31  13.773   2.993  11.271
  231    HD2  LYS  31           HD2      LYS  31  14.059   1.093   9.657
  232    HD3  LYS  31           HD1      LYS  31  15.455   1.920   8.966
  233    HE2  LYS  31           HE2      LYS  31  16.174   0.176  10.516
  234    HE3  LYS  31           HE1      LYS  31  16.618   1.764  11.137
  235    HZ1  LYS  31           HZ1      LYS  31  14.262   0.183  12.009
  236    HZ2  LYS  31           HZ2      LYS  31  14.730   1.680  12.632
  237    HZ3  LYS  31           HZ3      LYS  31  15.716   0.330  12.857
  238    H    HIS  32           HN       HIS  32  13.788   5.772  11.838
  239    HA   HIS  32           HA       HIS  32  15.370   8.014  10.740
  240    HB2  HIS  32           HB2      HIS  32  14.640   7.309  13.623
  241    HB3  HIS  32           HB1      HIS  32  15.636   8.680  13.149
  242    HD1  HIS  32           HD1      HIS  32  14.385  10.815  13.002
  243    HD2  HIS  32           HD2      HIS  32  11.899   7.543  12.390
  244    HE1  HIS  32           HE1      HIS  32  12.077  11.757  12.757
  245    HE2  HIS  32           HE2      HIS  32  10.603   9.771  12.276
  246    H    TYR  33           HN       TYR  33  17.563   7.709  10.584
  247    HA   TYR  33           HA       TYR  33  18.377   4.939  10.734
  248    HB2  TYR  33           HB2      TYR  33  19.648   7.402   9.483
  249    HB3  TYR  33           HB1      TYR  33  20.396   5.804   9.430
  250    HD1  TYR  33           HD1      TYR  33  17.274   7.653   8.449
  251    HD2  TYR  33           HD2      TYR  33  19.711   4.210   7.789
  252    HE1  TYR  33           HE1      TYR  33  15.883   7.042   6.524
  253    HE2  TYR  33           HE2      TYR  33  18.325   3.608   5.859
  254    HH   TYR  33           HH       TYR  33  16.127   3.985   4.965
  255    H    MET  34           HN       MET  34  19.410   4.087  12.356
  256    HA   MET  34           HA       MET  34  20.815   5.685  14.385
  257    HB2  MET  34           HB2      MET  34  18.934   4.167  15.123
  258    HB3  MET  34           HB1      MET  34  19.831   2.791  14.501
  259    HG2  MET  34           HG2      MET  34  21.676   3.408  16.143
  260    HG3  MET  34           HG1      MET  34  20.548   4.554  16.857
  261    HE1  MET  34           HE1      MET  34  18.066   3.669  17.813
  262    HE2  MET  34           HE2      MET  34  17.681   1.963  17.999
  263    HE3  MET  34           HE3      MET  34  17.790   2.671  16.386
  264    H    CYS  35           HN       CYS  35  22.973   5.100  14.958
  265    HA   CYS  35           HA       CYS  35  24.622   4.285  12.811
  266    HB2  CYS  35           HB2      CYS  35  25.417   5.896  14.378
  267    HB3  CYS  35           HB1      CYS  35  25.183   4.817  15.715
  268    HA   PRO  36           HA       PRO  36  24.936  -0.175  13.505
  269    HB2  PRO  36           HB2      PRO  36  27.529   0.092  12.028
  270    HB3  PRO  36           HB1      PRO  36  26.136  -0.937  11.667
  271    HG2  PRO  36           HG2      PRO  36  26.638   1.225  10.171
  272    HG3  PRO  36           HG1      PRO  36  24.967   0.799  10.601
  273    HD2  PRO  36           HD2      PRO  36  26.763   2.887  11.850
  274    HD3  PRO  36           HD1      PRO  36  25.058   3.013  11.363
  275    H    ILE  37           HN       ILE  37  27.915   1.843  13.911
  276    HA   ILE  37           HA       ILE  37  29.294  -0.273  15.260
  277    HB   ILE  37           HB       ILE  37  30.135   2.623  14.877
  278   HG12  ILE  37          HG12      ILE  37  30.743   0.217  13.079
  279   HG13  ILE  37          HG11      ILE  37  29.570   1.472  12.695
  280   HG21  ILE  37          HG21      ILE  37  32.445   1.742  15.106
  281   HG22  ILE  37          HG22      ILE  37  31.792   0.140  15.449
  282   HG23  ILE  37          HG23      ILE  37  31.490   1.473  16.564
  283   HD11  ILE  37          HD11      ILE  37  32.554   1.844  12.983
  284   HD12  ILE  37          HD12      ILE  37  31.396   3.127  12.630
  285   HD13  ILE  37          HD13      ILE  37  31.631   1.809  11.482
  286    H    CYS  38           HN       CYS  38  28.431   3.082  16.399
  287    HA   CYS  38           HA       CYS  38  28.685   2.106  19.167
  288    HB2  CYS  38           HB2      CYS  38  29.076   4.385  19.831
  289    HB3  CYS  38           HB1      CYS  38  30.167   3.982  18.526
  290    H    GLY  39           HN       GLY  39  26.427   4.220  17.217
  291    HA2  GLY  39           HA2      GLY  39  24.326   3.297  16.771
  292    HA3  GLY  39           HA1      GLY  39  24.364   2.455  18.299
  293    H    GLU  40           HN       GLU  40  24.973   5.936  17.914
  294    HA   GLU  40           HA       GLU  40  22.491   6.624  19.234
  295    HB2  GLU  40           HB2      GLU  40  23.209   8.935  19.013
  296    HB3  GLU  40           HB1      GLU  40  24.507   7.957  19.667
  297    HG2  GLU  40           HG2      GLU  40  24.366   8.710  16.740
  298    HG3  GLU  40           HG1      GLU  40  25.086   9.749  17.939
  299    H    ARG  41           HN       ARG  41  20.870   8.012  18.310
  300    HA   ARG  41           HA       ARG  41  20.055   7.009  15.687
  301    HB2  ARG  41           HB2      ARG  41  18.522   8.632  17.763
  302    HB3  ARG  41           HB1      ARG  41  17.825   7.899  16.319
  303    HG2  ARG  41           HG2      ARG  41  18.191   5.683  17.150
  304    HG3  ARG  41           HG1      ARG  41  19.194   6.271  18.474
  305    HD2  ARG  41           HD2      ARG  41  17.126   7.476  19.350
  306    HD3  ARG  41           HD1      ARG  41  16.205   6.598  18.127
  307    HE   ARG  41           HE       ARG  41  16.835   4.524  19.218
  308   HH11  ARG  41          HH11      ARG  41  17.331   7.421  21.136
  309   HH12  ARG  41          HH12      ARG  41  17.256   6.578  22.648
  310   HH21  ARG  41          HH21      ARG  41  16.745   3.427  21.208
  311   HH22  ARG  41          HH22      ARG  41  16.917   4.320  22.685
  312    H    PHE  42           HN       PHE  42  19.719   8.241  13.908
  313    HA   PHE  42           HA       PHE  42  20.071  11.182  14.036
  314    HB2  PHE  42           HB2      PHE  42  21.010   9.272  11.841
  315    HB3  PHE  42           HB1      PHE  42  21.030  11.026  11.708
  316    HD1  PHE  42           HD2      PHE  42  22.603  12.389  13.046
  317    HD2  PHE  42           HD1      PHE  42  22.665   8.118  13.266
  318    HE1  PHE  42           HE2      PHE  42  24.803  12.477  14.149
  319    HE2  PHE  42           HE1      PHE  42  24.852   8.218  14.376
  320    HZ   PHE  42           HZ       PHE  42  25.926  10.386  14.815
  321    HA   PRO  43           HA       PRO  43  16.017  11.627  12.261
  322    HB2  PRO  43           HB2      PRO  43  16.462  13.659  10.363
  323    HB3  PRO  43           HB1      PRO  43  16.208  13.919  12.094
  324    HG2  PRO  43           HG2      PRO  43  18.803  13.740  10.570
  325    HG3  PRO  43           HG1      PRO  43  18.321  14.891  11.836
  326    HD2  PRO  43           HD2      PRO  43  19.920  12.837  12.425
  327    HD3  PRO  43           HD1      PRO  43  18.633  13.319  13.555
  328    H    SER  44           HN       SER  44  18.702  11.285   9.897
  329    HA   SER  44           HA       SER  44  17.082   9.708   8.088
  330    HB2  SER  44           HB2      SER  44  18.086  12.454   7.174
  331    HB3  SER  44           HB1      SER  44  17.326  11.243   6.140
  332    HG   SER  44           HG       SER  44  16.147  13.144   7.523
  333    H    LEU  45           HN       LEU  45  18.440   9.352   5.996
  334    HA   LEU  45           HA       LEU  45  21.050   8.340   6.830
  335    HB2  LEU  45           HB2      LEU  45  19.354   6.972   5.546
  336    HB3  LEU  45           HB1      LEU  45  19.577   8.036   4.170
  337    HG   LEU  45           HG       LEU  45  21.974   7.297   4.016
  338   HD11  LEU  45          HD11      LEU  45  22.345   6.661   6.366
  339   HD12  LEU  45          HD12      LEU  45  22.745   5.338   5.276
  340   HD13  LEU  45          HD13      LEU  45  21.233   5.300   6.184
  341   HD21  LEU  45          HD21      LEU  45  21.502   5.044   3.101
  342   HD22  LEU  45          HD22      LEU  45  20.270   6.205   2.617
  343   HD23  LEU  45          HD23      LEU  45  19.928   5.046   3.903
  344    H    LEU  46           HN       LEU  46  21.492  10.865   6.985
  345    HA   LEU  46           HA       LEU  46  23.163  11.585   4.685
  346    HB2  LEU  46           HB2      LEU  46  21.258  13.558   6.041
  347    HB3  LEU  46           HB1      LEU  46  22.598  14.045   5.031
  348    HG   LEU  46           HG       LEU  46  20.654  14.323   3.712
  349   HD11  LEU  46          HD11      LEU  46  22.516  13.323   2.480
  350   HD12  LEU  46          HD12      LEU  46  20.958  12.854   1.809
  351   HD13  LEU  46          HD13      LEU  46  21.867  11.706   2.792
  352   HD21  LEU  46          HD21      LEU  46  19.059  13.011   5.028
  353   HD22  LEU  46          HD22      LEU  46  19.741  11.513   4.395
  354   HD23  LEU  46          HD23      LEU  46  18.925  12.641   3.311
  355    H    THR  47           HN       THR  47  22.077  12.639   7.911
  356    HA   THR  47           HA       THR  47  24.596  13.537   8.861
  357    HB   THR  47           HB       THR  47  23.437  13.447  11.141
  358    HG1  THR  47           HG1      THR  47  20.958  13.080  10.005
  359   HG21  THR  47          HG21      THR  47  23.337  15.508   9.790
  360   HG22  THR  47          HG22      THR  47  21.816  15.249  10.647
  361   HG23  THR  47          HG23      THR  47  21.929  14.885   8.923
  362    H    LEU  48           HN       LEU  48  22.880  10.450   9.081
  363    HA   LEU  48           HA       LEU  48  24.622   9.105  10.819
  364    HB2  LEU  48           HB2      LEU  48  22.358   8.322  10.211
  365    HB3  LEU  48           HB1      LEU  48  22.877   8.011   8.567
  366    HG   LEU  48           HG       LEU  48  22.584   5.999  10.211
  367   HD11  LEU  48          HD11      LEU  48  25.168   6.160   8.628
  368   HD12  LEU  48          HD12      LEU  48  23.584   5.719   7.987
  369   HD13  LEU  48          HD13      LEU  48  24.363   4.685   9.180
  370   HD21  LEU  48          HD21      LEU  48  23.799   6.851  12.125
  371   HD22  LEU  48          HD22      LEU  48  25.278   7.002  11.178
  372   HD23  LEU  48          HD23      LEU  48  24.610   5.411  11.520
  373    H    THR  49           HN       THR  49  24.678   9.441   7.292
  374    HA   THR  49           HA       THR  49  26.912   7.789   6.772
  375    HB   THR  49           HB       THR  49  25.852  10.126   5.123
  376    HG1  THR  49           HG1      THR  49  24.418   8.705   4.258
  377   HG21  THR  49          HG21      THR  49  28.058   9.353   4.337
  378   HG22  THR  49          HG22      THR  49  26.796   8.915   3.187
  379   HG23  THR  49          HG23      THR  49  27.462   7.689   4.265
  380    H    GLU  50           HN       GLU  50  26.605  11.289   7.304
  381    HA   GLU  50           HA       GLU  50  29.267  12.124   6.978
  382    HB2  GLU  50           HB2      GLU  50  27.098  13.193   8.825
  383    HB3  GLU  50           HB1      GLU  50  28.634  14.017   8.564
  384    HG2  GLU  50           HG2      GLU  50  28.100  14.315   6.190
  385    HG3  GLU  50           HG1      GLU  50  26.604  13.410   6.392
  386    H    HIS  51           HN       HIS  51  27.565  10.941   9.847
  387    HA   HIS  51           HA       HIS  51  29.697  11.169  11.701
  388    HB2  HIS  51           HB2      HIS  51  27.472  11.077  12.556
  389    HB3  HIS  51           HB1      HIS  51  27.085   9.628  11.639
  390    HD1  HIS  51           HD1      HIS  51  29.238  10.670  14.615
  391    HD2  HIS  51           HD2      HIS  51  27.326   7.342  13.024
  392    HE1  HIS  51           HE1      HIS  51  29.489   8.824  16.319
  393    H    LYS  52           HN       LYS  52  28.584   8.557   9.632
  394    HA   LYS  52           HA       LYS  52  29.908   6.407  10.824
  395    HB2  LYS  52           HB2      LYS  52  27.973   6.234   9.268
  396    HB3  LYS  52           HB1      LYS  52  29.022   6.691   7.931
  397    HG2  LYS  52           HG2      LYS  52  30.361   4.627   8.295
  398    HG3  LYS  52           HG1      LYS  52  29.276   4.175   9.617
  399    HD2  LYS  52           HD2      LYS  52  27.378   4.062   8.051
  400    HD3  LYS  52           HD1      LYS  52  28.423   4.572   6.721
  401    HE2  LYS  52           HE2      LYS  52  29.784   2.523   7.031
  402    HE3  LYS  52           HE1      LYS  52  28.693   2.006   8.317
  403    HZ1  LYS  52           HZ1      LYS  52  26.895   1.983   6.675
  404    HZ2  LYS  52           HZ2      LYS  52  28.137   0.912   6.280
  405    HZ3  LYS  52           HZ3      LYS  52  27.996   2.385   5.458
  406    H    VAL  53           HN       VAL  53  30.910   8.497   8.108
  407    HA   VAL  53           HA       VAL  53  33.359   7.065   7.648
  408    HB   VAL  53           HB       VAL  53  33.870   8.901   6.035
  409   HG11  VAL  53          HG11      VAL  53  32.053   8.397   4.437
  410   HG12  VAL  53          HG12      VAL  53  31.089   7.714   5.748
  411   HG13  VAL  53          HG13      VAL  53  32.603   6.943   5.272
  412   HG21  VAL  53          HG21      VAL  53  31.198  10.076   6.903
  413   HG22  VAL  53          HG22      VAL  53  32.164  10.620   5.531
  414   HG23  VAL  53          HG23      VAL  53  32.787  10.805   7.169
  415    H    THR  54           HN       THR  54  32.420   9.901   9.504
  416    HA   THR  54           HA       THR  54  35.206  10.595  10.156
  417    HB   THR  54           HB       THR  54  34.266  12.615  11.239
  418    HG1  THR  54           HG1      THR  54  31.731  12.538  10.415
  419   HG21  THR  54          HG21      THR  54  33.092  12.173   8.468
  420   HG22  THR  54          HG22      THR  54  34.723  12.745   8.818
  421   HG23  THR  54          HG23      THR  54  33.332  13.742   9.244
  422    H    HIS  55           HN       HIS  55  34.517   8.091  11.196
  423    HA   HIS  55           HA       HIS  55  32.997   8.311  13.650
  424    HB2  HIS  55           HB2      HIS  55  33.089   6.311  11.864
  425    HB3  HIS  55           HB1      HIS  55  34.417   5.743  12.869
  426    HD1  HIS  55           HD1      HIS  55  33.747   5.123  15.425
  427    HD2  HIS  55           HD2      HIS  55  30.599   5.999  12.868
  428    HE1  HIS  55           HE1      HIS  55  31.631   4.429  16.634
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  -6.094  25.349   3.368
    2    H2   MET   1           HT2      MET   1  -5.080  25.072   2.051
    3    H3   MET   1           HT3      MET   1  -4.597  24.593   3.596
    4    HA   MET   1           HA       MET   1  -6.873  23.507   2.054
    5    HB2  MET   1           HB2      MET   1  -4.210  22.213   2.827
    6    HB3  MET   1           HB1      MET   1  -5.526  21.405   1.984
    7    HG2  MET   1           HG2      MET   1  -3.764  21.962   0.426
    8    HG3  MET   1           HG1      MET   1  -5.191  22.932   0.050
    9    HE1  MET   1           HE1      MET   1  -3.560  24.541  -1.478
   10    HE2  MET   1           HE2      MET   1  -2.204  23.504  -1.030
   11    HE3  MET   1           HE3      MET   1  -2.081  25.253  -0.835
   12    H    GLY   2           HN       GLY   2  -8.174  21.967   3.181
   13    HA2  GLY   2           HA2      GLY   2  -8.306  21.712   5.962
   14    HA3  GLY   2           HA1      GLY   2  -8.871  20.506   4.814
   15    H    SER   3           HN       SER   3  -7.824  19.478   7.165
   16    HA   SER   3           HA       SER   3  -4.960  19.415   7.224
   17    HB2  SER   3           HB2      SER   3  -6.984  17.831   8.880
   18    HB3  SER   3           HB1      SER   3  -5.251  17.947   9.203
   19    HG   SER   3           HG       SER   3  -5.477  20.035   9.744
   20    H    HIS   4           HN       HIS   4  -4.542  18.584   5.279
   21    HA   HIS   4           HA       HIS   4  -4.507  15.636   4.991
   22    HB2  HIS   4           HB2      HIS   4  -3.575  17.832   3.090
   23    HB3  HIS   4           HB1      HIS   4  -3.348  16.112   2.781
   24    HD1  HIS   4           HD1      HIS   4  -6.205  18.547   3.383
   25    HD2  HIS   4           HD2      HIS   4  -5.453  14.925   1.498
   26    HE1  HIS   4           HE1      HIS   4  -8.323  17.955   2.214
   27    HE2  HIS   4           HE2      HIS   4  -7.906  15.685   1.218
   28    H    LYS   5           HN       LYS   5  -3.277  15.235   6.754
   29    HA   LYS   5           HA       LYS   5  -0.394  15.932   6.697
   30    HB2  LYS   5           HB2      LYS   5  -1.484  16.750   8.732
   31    HB3  LYS   5           HB1      LYS   5  -2.270  15.200   8.989
   32    HG2  LYS   5           HG2      LYS   5   0.035  14.198   9.363
   33    HG3  LYS   5           HG1      LYS   5   0.683  15.835   9.294
   34    HD2  LYS   5           HD2      LYS   5   0.387  15.140  11.629
   35    HD3  LYS   5           HD1      LYS   5  -0.706  16.472  11.244
   36    HE2  LYS   5           HE2      LYS   5  -2.573  14.875  10.976
   37    HE3  LYS   5           HE1      LYS   5  -1.484  13.533  11.341
   38    HZ1  LYS   5           HZ1      LYS   5  -1.136  14.484  13.522
   39    HZ2  LYS   5           HZ2      LYS   5  -2.769  14.168  13.250
   40    HZ3  LYS   5           HZ3      LYS   5  -2.197  15.752  13.161
   41    H    CYS   6           HN       CYS   6   1.056  14.198   6.571
   42    HA   CYS   6           HA       CYS   6   0.098  11.471   6.420
   43    HB2  CYS   6           HB2      CYS   6   1.961  12.188   5.003
   44    HB3  CYS   6           HB1      CYS   6   2.876  12.706   6.403
   45    H    ASN   7           HN       ASN   7  -0.461  10.506   8.323
   46    HA   ASN   7           HA       ASN   7   0.330  11.413  10.899
   47    HB2  ASN   7           HB2      ASN   7  -1.809  10.135  10.209
   48    HB3  ASN   7           HB1      ASN   7  -0.845   8.671  10.253
   49   HD21  ASN   7          HD21      ASN   7   0.623   9.282  12.725
   50   HD22  ASN   7          HD22      ASN   7  -0.519   9.232  14.005
   51    H    VAL   8           HN       VAL   8   1.529   8.886   8.762
   52    HA   VAL   8           HA       VAL   8   3.061   7.315  10.505
   53    HB   VAL   8           HB       VAL   8   3.746   7.920   7.582
   54   HG11  VAL   8          HG11      VAL   8   5.552   6.731   8.753
   55   HG12  VAL   8          HG12      VAL   8   4.784   5.678   7.564
   56   HG13  VAL   8          HG13      VAL   8   4.418   5.486   9.283
   57   HG21  VAL   8          HG21      VAL   8   1.399   7.235   7.789
   58   HG22  VAL   8          HG22      VAL   8   1.869   5.794   8.693
   59   HG23  VAL   8          HG23      VAL   8   2.348   5.975   7.005
   60    H    CYS   9           HN       CYS   9   3.991  10.177   8.646
   61    HA   CYS   9           HA       CYS   9   6.649  10.385   9.864
   62    HB2  CYS   9           HB2      CYS   9   5.148  12.188   7.930
   63    HB3  CYS   9           HB1      CYS   9   6.790  12.476   8.477
   64    H    SER  10           HN       SER  10   3.498  11.737  10.204
   65    HA   SER  10           HA       SER  10   2.413  13.119  11.588
   66    HB2  SER  10           HB2      SER  10   5.033  13.424  13.110
   67    HB3  SER  10           HB1      SER  10   3.487  14.089  13.637
   68    HG   SER  10           HG       SER  10   3.638  11.350  13.011
   69    H    ARG  11           HN       ARG  11   4.302  13.862   9.257
   70    HA   ARG  11           HA       ARG  11   4.241  16.814   9.542
   71    HB2  ARG  11           HB2      ARG  11   5.985  15.042   7.779
   72    HB3  ARG  11           HB1      ARG  11   5.959  16.800   7.688
   73    HG2  ARG  11           HG2      ARG  11   6.868  15.142  10.074
   74    HG3  ARG  11           HG1      ARG  11   7.902  16.026   8.946
   75    HD2  ARG  11           HD2      ARG  11   6.783  18.155   9.678
   76    HD3  ARG  11           HD1      ARG  11   5.920  17.232  10.917
   77    HE   ARG  11           HE       ARG  11   8.867  17.172  10.837
   78   HH11  ARG  11          HH11      ARG  11   5.972  18.088  12.579
   79   HH12  ARG  11          HH12      ARG  11   6.843  18.591  13.988
   80   HH21  ARG  11          HH21      ARG  11   9.986  17.851  12.689
   81   HH22  ARG  11          HH22      ARG  11   9.098  18.459  14.052
   82    H    THR  12           HN       THR  12   4.359  17.590   6.951
   83    HA   THR  12           HA       THR  12   1.989  16.517   5.581
   84    HB   THR  12           HB       THR  12   1.071  18.215   7.145
   85    HG1  THR  12           HG1      THR  12  -0.230  18.403   5.504
   86   HG21  THR  12          HG21      THR  12   1.583  20.614   6.878
   87   HG22  THR  12          HG22      THR  12   2.813  20.232   5.670
   88   HG23  THR  12          HG23      THR  12   3.031  19.721   7.344
   89    H    PHE  13           HN       PHE  13   1.671  17.692   3.454
   90    HA   PHE  13           HA       PHE  13   4.239  18.538   2.219
   91    HB2  PHE  13           HB2      PHE  13   2.813  16.373   1.490
   92    HB3  PHE  13           HB1      PHE  13   1.864  17.554   0.615
   93    HD1  PHE  13           HD1      PHE  13   2.845  18.749  -1.336
   94    HD2  PHE  13           HD2      PHE  13   5.093  15.811   0.804
   95    HE1  PHE  13           HE1      PHE  13   4.427  18.581  -3.207
   96    HE2  PHE  13           HE2      PHE  13   6.667  15.652  -1.079
   97    HZ   PHE  13           HZ       PHE  13   6.334  17.028  -3.087
   98    H    PHE  14           HN       PHE  14   4.193  20.375   0.792
   99    HA   PHE  14           HA       PHE  14   2.578  22.548   1.462
  100    HB2  PHE  14           HB2      PHE  14   4.818  22.789   0.476
  101    HB3  PHE  14           HB1      PHE  14   4.274  22.060  -1.032
  102    HD1  PHE  14           HD1      PHE  14   3.570  24.995   1.217
  103    HD2  PHE  14           HD2      PHE  14   3.566  23.491  -2.792
  104    HE1  PHE  14           HE1      PHE  14   3.004  27.237   0.367
  105    HE2  PHE  14           HE2      PHE  14   3.013  25.737  -3.628
  106    HZ   PHE  14           HZ       PHE  14   2.728  27.611  -2.051
  107    H    SER  15           HN       SER  15   2.228  20.180  -1.146
  108    HA   SER  15           HA       SER  15  -0.415  21.297  -1.881
  109    HB2  SER  15           HB2      SER  15  -0.216  19.771  -3.892
  110    HB3  SER  15           HB1      SER  15   1.019  21.027  -3.833
  111    HG   SER  15           HG       SER  15   2.520  19.579  -3.438
  112    H    GLU  16           HN       GLU  16  -2.241  20.018  -1.570
  113    HA   GLU  16           HA       GLU  16  -2.003  18.007   0.505
  114    HB2  GLU  16           HB2      GLU  16  -4.462  17.971   0.489
  115    HB3  GLU  16           HB1      GLU  16  -3.849  19.613   0.613
  116    HG2  GLU  16           HG2      GLU  16  -4.434  20.103  -1.668
  117    HG3  GLU  16           HG1      GLU  16  -4.768  18.405  -2.014
  118    H    ASN  17           HN       ASN  17  -2.426  18.035  -2.974
  119    HA   ASN  17           HA       ASN  17  -3.221  15.260  -3.240
  120    HB2  ASN  17           HB2      ASN  17  -2.201  17.272  -5.289
  121    HB3  ASN  17           HB1      ASN  17  -2.705  15.636  -5.699
  122   HD21  ASN  17          HD21      ASN  17  -4.301  16.434  -7.084
  123   HD22  ASN  17          HD22      ASN  17  -5.759  17.158  -6.500
  124    H    GLY  18           HN       GLY  18  -0.287  17.188  -3.356
  125    HA2  GLY  18           HA2      GLY  18   1.616  15.210  -4.071
  126    HA3  GLY  18           HA1      GLY  18   1.943  16.687  -3.173
  127    H    LEU  19           HN       LEU  19   0.194  16.147  -0.969
  128    HA   LEU  19           HA       LEU  19   1.682  14.476   0.739
  129    HB2  LEU  19           HB2      LEU  19   0.134  16.397   1.349
  130    HB3  LEU  19           HB1      LEU  19  -1.216  15.338   1.074
  131    HG   LEU  19           HG       LEU  19  -0.476  15.748   3.517
  132   HD11  LEU  19          HD11      LEU  19  -2.093  14.021   2.967
  133   HD12  LEU  19          HD12      LEU  19  -1.036  13.504   4.274
  134   HD13  LEU  19          HD13      LEU  19  -0.794  12.871   2.645
  135   HD21  LEU  19          HD21      LEU  19   1.309  14.346   4.421
  136   HD22  LEU  19          HD22      LEU  19   1.941  15.471   3.225
  137   HD23  LEU  19          HD23      LEU  19   1.716  13.770   2.802
  138    H    ARG  20           HN       ARG  20  -1.358  13.966  -1.002
  139    HA   ARG  20           HA       ARG  20  -1.922  11.303  -0.219
  140    HB2  ARG  20           HB2      ARG  20  -2.578  12.803  -2.799
  141    HB3  ARG  20           HB1      ARG  20  -3.281  11.250  -2.357
  142    HG2  ARG  20           HG2      ARG  20  -3.603  13.814  -0.762
  143    HG3  ARG  20           HG1      ARG  20  -4.778  13.167  -1.902
  144    HD2  ARG  20           HD2      ARG  20  -3.883  11.943   0.725
  145    HD3  ARG  20           HD1      ARG  20  -5.494  12.538   0.300
  146    HE   ARG  20           HE       ARG  20  -4.749  10.482  -1.485
  147   HH11  ARG  20          HH11      ARG  20  -5.761  10.849   1.867
  148   HH12  ARG  20          HH12      ARG  20  -6.381   9.232   1.958
  149   HH21  ARG  20          HH21      ARG  20  -5.553   8.395  -1.319
  150   HH22  ARG  20          HH22      ARG  20  -6.265   7.851   0.168
  151    H    GLU  21           HN       GLU  21   0.162  12.558  -2.808
  152    HA   GLU  21           HA       GLU  21   0.768  10.044  -4.001
  153    HB2  GLU  21           HB2      GLU  21   0.993  12.239  -5.171
  154    HB3  GLU  21           HB1      GLU  21   2.297  12.677  -4.072
  155    HG2  GLU  21           HG2      GLU  21   3.673  10.822  -4.958
  156    HG3  GLU  21           HG1      GLU  21   2.368  10.371  -6.056
  157    H    HIS  22           HN       HIS  22   2.236  12.085  -1.551
  158    HA   HIS  22           HA       HIS  22   4.541  10.556  -0.947
  159    HB2  HIS  22           HB2      HIS  22   4.497  12.879  -0.305
  160    HB3  HIS  22           HB1      HIS  22   2.987  12.695   0.572
  161    HD1  HIS  22           HD1      HIS  22   6.683  12.010   0.914
  162    HD2  HIS  22           HD2      HIS  22   3.187  11.776   3.140
  163    HE1  HIS  22           HE1      HIS  22   7.375  11.422   3.277
  164    H    LEU  23           HN       LEU  23   1.187  10.339   0.080
  165    HA   LEU  23           HA       LEU  23   1.420   8.808   2.410
  166    HB2  LEU  23           HB2      LEU  23  -0.774   9.343   0.444
  167    HB3  LEU  23           HB1      LEU  23  -1.035   8.072   1.607
  168    HG   LEU  23           HG       LEU  23  -0.448  10.971   2.271
  169   HD11  LEU  23          HD11      LEU  23  -2.762  11.032   3.130
  170   HD12  LEU  23          HD12      LEU  23  -3.011   9.371   2.587
  171   HD13  LEU  23          HD13      LEU  23  -2.725  10.652   1.408
  172   HD21  LEU  23          HD21      LEU  23  -0.883  10.360   4.618
  173   HD22  LEU  23          HD22      LEU  23   0.527   9.523   3.979
  174   HD23  LEU  23          HD23      LEU  23  -1.003   8.661   4.155
  175    H    GLN  24           HN       GLN  24   1.738   7.887  -0.899
  176    HA   GLN  24           HA       GLN  24   1.021   5.114  -0.630
  177    HB2  GLN  24           HB2      GLN  24   2.402   6.554  -2.926
  178    HB3  GLN  24           HB1      GLN  24   1.568   5.003  -3.000
  179    HG2  GLN  24           HG2      GLN  24  -0.582   6.094  -2.553
  180    HG3  GLN  24           HG1      GLN  24   0.228   7.648  -2.344
  181   HE21  GLN  24          HE21      GLN  24  -0.912   8.660  -3.964
  182   HE22  GLN  24          HE22      GLN  24  -0.715   8.293  -5.642
  183    H    THR  25           HN       THR  25   3.872   6.944  -0.023
  184    HA   THR  25           HA       THR  25   5.839   4.899  -0.516
  185    HB   THR  25           HB       THR  25   7.419   6.394   0.606
  186    HG1  THR  25           HG1      THR  25   5.919   8.500   1.238
  187   HG21  THR  25          HG21      THR  25   6.794   7.026  -1.695
  188   HG22  THR  25          HG22      THR  25   7.150   8.457  -0.724
  189   HG23  THR  25          HG23      THR  25   5.476   8.017  -1.065
  190    H    HIS  26           HN       HIS  26   3.442   5.195   1.825
  191    HA   HIS  26           HA       HIS  26   4.887   3.432   3.747
  192    HB2  HIS  26           HB2      HIS  26   2.519   5.240   4.397
  193    HB3  HIS  26           HB1      HIS  26   3.542   4.365   5.536
  194    HD1  HIS  26           HD1      HIS  26   6.163   5.279   5.565
  195    HD2  HIS  26           HD2      HIS  26   3.258   7.769   3.962
  196    HE1  HIS  26           HE1      HIS  26   7.131   7.605   5.586
  197    H    ARG  27           HN       ARG  27   2.633   3.400   1.354
  198    HA   ARG  27           HA       ARG  27   0.338   2.145   2.314
  199    HB2  ARG  27           HB2      ARG  27   0.540   3.171   0.092
  200    HB3  ARG  27           HB1      ARG  27   1.686   1.936  -0.406
  201    HG2  ARG  27           HG2      ARG  27  -0.083   0.226  -0.299
  202    HG3  ARG  27           HG1      ARG  27  -1.238   1.436   0.269
  203    HD2  ARG  27           HD2      ARG  27  -1.467   0.959  -2.167
  204    HD3  ARG  27           HD1      ARG  27  -1.070   2.653  -1.851
  205    HE   ARG  27           HE       ARG  27   1.092   0.769  -2.477
  206   HH11  ARG  27          HH11      ARG  27  -0.825   3.490  -3.535
  207   HH12  ARG  27          HH12      ARG  27   0.233   3.884  -4.849
  208   HH21  ARG  27          HH21      ARG  27   2.509   1.321  -4.170
  209   HH22  ARG  27          HH22      ARG  27   2.132   2.659  -5.204
  210    H    GLY  28           HN       GLY  28   3.390   0.738   1.236
  211    HA2  GLY  28           HA2      GLY  28   3.790  -1.300   2.872
  212    HA3  GLY  28           HA1      GLY  28   2.564  -2.002   1.820
  213    HA   PRO  29           HA       PRO  29   6.572  -3.138  -0.294
  214    HB2  PRO  29           HB2      PRO  29   4.699  -5.249  -1.333
  215    HB3  PRO  29           HB1      PRO  29   6.345  -5.422  -0.705
  216    HG2  PRO  29           HG2      PRO  29   4.242  -6.200   0.758
  217    HG3  PRO  29           HG1      PRO  29   5.633  -5.400   1.525
  218    HD2  PRO  29           HD2      PRO  29   2.937  -4.238   0.807
  219    HD3  PRO  29           HD1      PRO  29   3.919  -3.989   2.270
  220    H    ALA  30           HN       ALA  30   7.072  -2.559  -2.442
  221    HA   ALA  30           HA       ALA  30   4.871  -1.280  -3.979
  222    HB1  ALA  30           HB1      ALA  30   7.756  -0.373  -3.794
  223    HB2  ALA  30           HB2      ALA  30   6.404   0.358  -2.933
  224    HB3  ALA  30           HB3      ALA  30   6.467   0.430  -4.697
  225    H    LYS  31           HN       LYS  31   7.181  -3.771  -4.112
  226    HA   LYS  31           HA       LYS  31   7.560  -3.649  -7.023
  227    HB2  LYS  31           HB2      LYS  31   8.626  -5.614  -4.947
  228    HB3  LYS  31           HB1      LYS  31   8.904  -5.772  -6.671
  229    HG2  LYS  31           HG2      LYS  31  10.888  -4.837  -5.765
  230    HG3  LYS  31           HG1      LYS  31  10.064  -3.522  -6.608
  231    HD2  LYS  31           HD2      LYS  31   9.230  -2.650  -4.459
  232    HD3  LYS  31           HD1      LYS  31   9.993  -3.995  -3.604
  233    HE2  LYS  31           HE2      LYS  31  12.219  -3.196  -4.307
  234    HE3  LYS  31           HE1      LYS  31  11.467  -1.877  -5.209
  235    HZ1  LYS  31           HZ1      LYS  31  12.296  -1.187  -3.034
  236    HZ2  LYS  31           HZ2      LYS  31  11.233  -2.263  -2.281
  237    HZ3  LYS  31           HZ3      LYS  31  10.628  -0.968  -3.180
  238    H    HIS  32           HN       HIS  32   5.740  -4.221  -8.061
  239    HA   HIS  32           HA       HIS  32   4.714  -6.902  -7.762
  240    HB2  HIS  32           HB2      HIS  32   2.327  -6.246  -7.523
  241    HB3  HIS  32           HB1      HIS  32   3.275  -5.756  -6.133
  242    HD1  HIS  32           HD1      HIS  32   0.943  -4.471  -8.627
  243    HD2  HIS  32           HD2      HIS  32   3.845  -2.856  -6.134
  244    HE1  HIS  32           HE1      HIS  32   0.493  -2.009  -8.581
  245    HE2  HIS  32           HE2      HIS  32   2.268  -1.051  -7.083
  246    H    TYR  33           HN       TYR  33   5.211  -7.427  -9.817
  247    HA   TYR  33           HA       TYR  33   4.863  -5.637 -12.045
  248    HB2  TYR  33           HB2      TYR  33   6.620  -7.562 -11.795
  249    HB3  TYR  33           HB1      TYR  33   5.325  -8.640 -12.277
  250    HD1  TYR  33           HD2      TYR  33   4.141  -8.110 -14.611
  251    HD2  TYR  33           HD1      TYR  33   7.929  -6.482 -13.477
  252    HE1  TYR  33           HE2      TYR  33   4.669  -7.689 -16.969
  253    HE2  TYR  33           HE1      TYR  33   8.436  -6.056 -15.841
  254    HH   TYR  33           HH       TYR  33   6.095  -6.234 -18.292
  255    H    MET  34           HN       MET  34   3.153  -5.599 -13.487
  256    HA   MET  34           HA       MET  34   0.705  -7.067 -12.737
  257    HB2  MET  34           HB2      MET  34   0.479  -4.615 -12.979
  258    HB3  MET  34           HB1      MET  34   1.139  -4.686 -14.605
  259    HG2  MET  34           HG2      MET  34  -0.822  -6.005 -15.351
  260    HG3  MET  34           HG1      MET  34  -1.489  -5.924 -13.720
  261    HE1  MET  34           HE1      MET  34  -0.952  -2.188 -16.405
  262    HE2  MET  34           HE2      MET  34  -0.448  -3.808 -16.893
  263    HE3  MET  34           HE3      MET  34   0.402  -2.974 -15.593
  264    H    CYS  35           HN       CYS  35   0.376  -8.905 -13.802
  265    HA   CYS  35           HA       CYS  35   2.104  -9.889 -15.771
  266    HB2  CYS  35           HB2      CYS  35   0.686 -11.227 -14.171
  267    HB3  CYS  35           HB1      CYS  35  -0.685 -10.903 -15.201
  268    HA   PRO  36           HA       PRO  36   0.591  -7.864 -19.562
  269    HB2  PRO  36           HB2      PRO  36   1.604 -10.469 -20.735
  270    HB3  PRO  36           HB1      PRO  36   1.849  -8.807 -21.302
  271    HG2  PRO  36           HG2      PRO  36   3.799 -10.006 -19.963
  272    HG3  PRO  36           HG1      PRO  36   3.405  -8.311 -19.597
  273    HD2  PRO  36           HD2      PRO  36   2.721 -10.799 -18.043
  274    HD3  PRO  36           HD1      PRO  36   3.194  -9.191 -17.447
  275    H    ILE  37           HN       ILE  37  -0.155 -11.425 -19.306
  276    HA   ILE  37           HA       ILE  37  -2.529 -11.133 -20.939
  277    HB   ILE  37           HB       ILE  37  -1.460 -13.525 -19.362
  278   HG12  ILE  37          HG12      ILE  37  -1.197 -12.905 -22.348
  279   HG13  ILE  37          HG11      ILE  37   0.095 -12.740 -21.166
  280   HG21  ILE  37          HG21      ILE  37  -3.855 -13.786 -19.799
  281   HG22  ILE  37          HG22      ILE  37  -2.944 -14.918 -20.792
  282   HG23  ILE  37          HG23      ILE  37  -3.624 -13.452 -21.508
  283   HD11  ILE  37          HD11      ILE  37   0.035 -15.161 -20.766
  284   HD12  ILE  37          HD12      ILE  37   0.330 -14.769 -22.462
  285   HD13  ILE  37          HD13      ILE  37  -1.263 -15.317 -21.955
  286    H    CYS  38           HN       CYS  38  -1.961 -12.139 -17.490
  287    HA   CYS  38           HA       CYS  38  -4.881 -12.035 -17.085
  288    HB2  CYS  38           HB2      CYS  38  -4.688 -13.801 -15.544
  289    HB3  CYS  38           HB1      CYS  38  -3.642 -14.237 -16.877
  290    H    GLY  39           HN       GLY  39  -2.143 -10.282 -16.119
  291    HA2  GLY  39           HA2      GLY  39  -1.854  -8.527 -14.762
  292    HA3  GLY  39           HA1      GLY  39  -3.603  -8.398 -14.695
  293    H    GLU  40           HN       GLU  40  -2.150 -11.285 -13.437
  294    HA   GLU  40           HA       GLU  40  -2.700 -10.829 -10.717
  295    HB2  GLU  40           HB2      GLU  40  -0.819 -12.817 -12.049
  296    HB3  GLU  40           HB1      GLU  40  -1.280 -12.876 -10.355
  297    HG2  GLU  40           HG2      GLU  40  -3.275 -13.055 -12.631
  298    HG3  GLU  40           HG1      GLU  40  -2.528 -14.453 -11.868
  299    H    ARG  41           HN       ARG  41  -1.283 -10.463  -8.942
  300    HA   ARG  41           HA       ARG  41   0.928  -8.607  -9.509
  301    HB2  ARG  41           HB2      ARG  41  -0.259  -9.329  -6.788
  302    HB3  ARG  41           HB1      ARG  41   0.679  -7.895  -7.205
  303    HG2  ARG  41           HG2      ARG  41  -1.166  -6.957  -8.437
  304    HG3  ARG  41           HG1      ARG  41  -2.078  -8.465  -8.333
  305    HD2  ARG  41           HD2      ARG  41  -2.011  -8.157  -5.783
  306    HD3  ARG  41           HD1      ARG  41  -1.435  -6.520  -6.105
  307    HE   ARG  41           HE       ARG  41  -3.530  -6.118  -7.299
  308   HH11  ARG  41          HH11      ARG  41  -3.498  -8.857  -5.098
  309   HH12  ARG  41          HH12      ARG  41  -5.207  -8.796  -4.795
  310   HH21  ARG  41          HH21      ARG  41  -5.780  -6.046  -6.924
  311   HH22  ARG  41          HH22      ARG  41  -6.503  -7.210  -5.856
  312    H    PHE  42           HN       PHE  42   3.009  -9.358  -9.400
  313    HA   PHE  42           HA       PHE  42   3.668 -11.551  -7.507
  314    HB2  PHE  42           HB2      PHE  42   4.742 -11.064 -10.315
  315    HB3  PHE  42           HB1      PHE  42   5.609 -12.054  -9.147
  316    HD1  PHE  42           HD1      PHE  42   2.272 -11.780 -10.846
  317    HD2  PHE  42           HD2      PHE  42   5.046 -14.337  -8.833
  318    HE1  PHE  42           HE1      PHE  42   0.853 -13.725 -11.344
  319    HE2  PHE  42           HE2      PHE  42   3.627 -16.274  -9.350
  320    HZ   PHE  42           HZ       PHE  42   1.528 -15.971 -10.601
  321    HA   PRO  43           HA       PRO  43   6.088  -8.566  -5.378
  322    HB2  PRO  43           HB2      PRO  43   7.908 -10.143  -4.059
  323    HB3  PRO  43           HB1      PRO  43   6.182 -10.137  -3.663
  324    HG2  PRO  43           HG2      PRO  43   7.708 -12.062  -5.426
  325    HG3  PRO  43           HG1      PRO  43   6.564 -12.417  -4.110
  326    HD2  PRO  43           HD2      PRO  43   5.775 -12.471  -6.685
  327    HD3  PRO  43           HD1      PRO  43   4.693 -11.862  -5.410
  328    H    SER  44           HN       SER  44   7.479 -10.246  -7.971
  329    HA   SER  44           HA       SER  44   9.535  -8.210  -8.253
  330    HB2  SER  44           HB2      SER  44  11.333  -9.950  -8.687
  331    HB3  SER  44           HB1      SER  44  10.804  -9.859  -7.013
  332    HG   SER  44           HG       SER  44  10.839 -11.989  -7.494
  333    H    LEU  45           HN       LEU  45  10.543  -8.273 -10.297
  334    HA   LEU  45           HA       LEU  45   8.930  -9.281 -12.526
  335    HB2  LEU  45           HB2      LEU  45  10.822  -7.969 -13.842
  336    HB3  LEU  45           HB1      LEU  45   9.524  -7.108 -13.047
  337    HG   LEU  45           HG       LEU  45  11.066  -6.669 -11.109
  338   HD11  LEU  45          HD11      LEU  45  13.253  -7.742 -12.900
  339   HD12  LEU  45          HD12      LEU  45  12.699  -8.447 -11.381
  340   HD13  LEU  45          HD13      LEU  45  13.497  -6.876 -11.380
  341   HD21  LEU  45          HD21      LEU  45  12.307  -4.853 -12.190
  342   HD22  LEU  45          HD22      LEU  45  10.657  -4.948 -12.796
  343   HD23  LEU  45          HD23      LEU  45  11.993  -5.564 -13.775
  344    H    LEU  46           HN       LEU  46   9.857 -11.354 -11.158
  345    HA   LEU  46           HA       LEU  46  11.990 -12.635 -12.672
  346    HB2  LEU  46           HB2      LEU  46  12.141 -12.248  -9.645
  347    HB3  LEU  46           HB1      LEU  46  13.168 -13.342 -10.557
  348    HG   LEU  46           HG       LEU  46  13.164 -10.306 -10.842
  349   HD11  LEU  46          HD11      LEU  46  15.205 -12.109  -9.501
  350   HD12  LEU  46          HD12      LEU  46  14.114 -10.990  -8.684
  351   HD13  LEU  46          HD13      LEU  46  15.370 -10.369  -9.750
  352   HD21  LEU  46          HD21      LEU  46  15.166 -10.618 -12.244
  353   HD22  LEU  46          HD22      LEU  46  13.768 -11.410 -12.962
  354   HD23  LEU  46          HD23      LEU  46  14.995 -12.371 -12.132
  355    H    THR  47           HN       THR  47   9.994 -12.899  -9.699
  356    HA   THR  47           HA       THR  47   9.103 -15.543 -10.014
  357    HB   THR  47           HB       THR  47   7.087 -14.775  -8.620
  358    HG1  THR  47           HG1      THR  47   8.276 -12.366  -8.014
  359   HG21  THR  47          HG21      THR  47   8.392 -14.336  -6.581
  360   HG22  THR  47          HG22      THR  47   9.823 -13.994  -7.555
  361   HG23  THR  47          HG23      THR  47   9.141 -15.622  -7.533
  362    H    LEU  48           HN       LEU  48   7.817 -12.475 -11.287
  363    HA   LEU  48           HA       LEU  48   5.568 -13.528 -12.644
  364    HB2  LEU  48           HB2      LEU  48   6.026 -11.085 -12.078
  365    HB3  LEU  48           HB1      LEU  48   7.174 -11.045 -13.395
  366    HG   LEU  48           HG       LEU  48   4.894 -10.012 -13.865
  367   HD11  LEU  48          HD11      LEU  48   5.688 -12.195 -15.797
  368   HD12  LEU  48          HD12      LEU  48   6.354 -10.563 -15.734
  369   HD13  LEU  48          HD13      LEU  48   4.660 -10.804 -16.157
  370   HD21  LEU  48          HD21      LEU  48   2.996 -11.435 -14.392
  371   HD22  LEU  48          HD22      LEU  48   3.492 -11.647 -12.715
  372   HD23  LEU  48          HD23      LEU  48   3.909 -12.870 -13.918
  373    H    THR  49           HN       THR  49   8.972 -13.170 -13.556
  374    HA   THR  49           HA       THR  49   8.759 -13.743 -16.314
  375    HB   THR  49           HB       THR  49  11.153 -14.224 -14.492
  376    HG1  THR  49           HG1      THR  49  10.731 -11.890 -16.035
  377   HG21  THR  49          HG21      THR  49  11.046 -13.697 -17.491
  378   HG22  THR  49          HG22      THR  49  11.449 -15.236 -16.729
  379   HG23  THR  49          HG23      THR  49  12.515 -13.846 -16.525
  380    H    GLU  50           HN       GLU  50   9.392 -15.780 -13.516
  381    HA   GLU  50           HA       GLU  50   9.551 -18.295 -14.807
  382    HB2  GLU  50           HB2      GLU  50   8.662 -17.638 -11.969
  383    HB3  GLU  50           HB1      GLU  50   9.045 -19.259 -12.547
  384    HG2  GLU  50           HG2      GLU  50  11.373 -18.614 -12.937
  385    HG3  GLU  50           HG1      GLU  50  11.013 -16.948 -12.490
  386    H    HIS  51           HN       HIS  51   6.797 -16.503 -13.472
  387    HA   HIS  51           HA       HIS  51   4.796 -18.487 -13.746
  388    HB2  HIS  51           HB2      HIS  51   4.297 -16.772 -12.208
  389    HB3  HIS  51           HB1      HIS  51   4.792 -15.497 -13.309
  390    HD1  HIS  51           HD1      HIS  51   1.881 -17.967 -12.931
  391    HD2  HIS  51           HD2      HIS  51   2.754 -14.230 -14.508
  392    HE1  HIS  51           HE1      HIS  51  -0.325 -16.979 -13.683
  393    H    LYS  52           HN       LYS  52   5.780 -15.858 -15.910
  394    HA   LYS  52           HA       LYS  52   3.540 -15.967 -17.615
  395    HB2  LYS  52           HB2      LYS  52   4.699 -14.375 -19.033
  396    HB3  LYS  52           HB1      LYS  52   4.952 -13.954 -17.346
  397    HG2  LYS  52           HG2      LYS  52   7.213 -15.156 -17.541
  398    HG3  LYS  52           HG1      LYS  52   6.941 -15.149 -19.285
  399    HD2  LYS  52           HD2      LYS  52   7.145 -12.707 -17.467
  400    HD3  LYS  52           HD1      LYS  52   8.352 -13.242 -18.635
  401    HE2  LYS  52           HE2      LYS  52   5.562 -12.239 -19.313
  402    HE3  LYS  52           HE1      LYS  52   7.049 -11.306 -19.462
  403    HZ1  LYS  52           HZ1      LYS  52   7.826 -12.946 -21.073
  404    HZ2  LYS  52           HZ2      LYS  52   6.403 -12.189 -21.570
  405    HZ3  LYS  52           HZ3      LYS  52   6.350 -13.762 -20.962
  406    H    VAL  53           HN       VAL  53   6.666 -17.652 -17.792
  407    HA   VAL  53           HA       VAL  53   6.264 -18.631 -20.466
  408    HB   VAL  53           HB       VAL  53   8.236 -20.017 -20.100
  409   HG11  VAL  53          HG11      VAL  53   8.638 -17.219 -18.973
  410   HG12  VAL  53          HG12      VAL  53   8.594 -17.659 -20.682
  411   HG13  VAL  53          HG13      VAL  53   9.905 -18.246 -19.659
  412   HG21  VAL  53          HG21      VAL  53   8.175 -19.119 -17.189
  413   HG22  VAL  53          HG22      VAL  53   9.475 -20.047 -17.943
  414   HG23  VAL  53          HG23      VAL  53   7.870 -20.756 -17.779
  415    H    THR  54           HN       THR  54   5.444 -19.787 -17.260
  416    HA   THR  54           HA       THR  54   4.516 -22.404 -18.258
  417    HB   THR  54           HB       THR  54   6.106 -22.430 -16.346
  418    HG1  THR  54           HG1      THR  54   4.567 -24.122 -16.570
  419   HG21  THR  54          HG21      THR  54   5.394 -20.348 -15.236
  420   HG22  THR  54          HG22      THR  54   5.378 -21.712 -14.121
  421   HG23  THR  54          HG23      THR  54   3.867 -21.107 -14.796
  422    H    HIS  55           HN       HIS  55   2.899 -20.282 -19.070
  423    HA   HIS  55           HA       HIS  55   1.250 -19.189 -17.003
  424    HB2  HIS  55           HB2      HIS  55   1.961 -18.149 -19.371
  425    HB3  HIS  55           HB1      HIS  55   0.473 -18.906 -19.926
  426    HD1  HIS  55           HD1      HIS  55  -1.792 -17.870 -18.984
  427    HD2  HIS  55           HD2      HIS  55   1.676 -16.024 -17.667
  428    HE1  HIS  55           HE1      HIS  55  -2.511 -15.760 -17.782
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  -4.964  25.620   1.397
    2    H2   MET   1           HT2      MET   1  -6.223  25.965   0.335
    3    H3   MET   1           HT3      MET   1  -4.640  26.348  -0.101
    4    HA   MET   1           HA       MET   1  -5.701  23.614   0.335
    5    HB2  MET   1           HB2      MET   1  -4.884  25.003  -2.260
    6    HB3  MET   1           HB1      MET   1  -5.392  23.324  -2.119
    7    HG2  MET   1           HG2      MET   1  -7.610  24.092  -1.323
    8    HG3  MET   1           HG1      MET   1  -7.107  25.761  -1.609
    9    HE1  MET   1           HE1      MET   1  -6.279  26.573  -4.103
   10    HE2  MET   1           HE2      MET   1  -6.537  25.618  -5.564
   11    HE3  MET   1           HE3      MET   1  -5.310  25.128  -4.395
   12    H    GLY   2           HN       GLY   2  -4.058  22.087  -0.991
   13    HA2  GLY   2           HA2      GLY   2  -1.978  21.189  -1.269
   14    HA3  GLY   2           HA1      GLY   2  -1.321  22.816  -1.155
   15    H    SER   3           HN       SER   3  -3.187  21.027   1.313
   16    HA   SER   3           HA       SER   3  -0.876  20.376   2.887
   17    HB2  SER   3           HB2      SER   3  -1.182  22.815   3.415
   18    HB3  SER   3           HB1      SER   3  -2.808  22.473   3.999
   19    HG   SER   3           HG       SER   3  -0.425  21.315   5.030
   20    H    HIS   4           HN       HIS   4  -1.609  18.203   3.140
   21    HA   HIS   4           HA       HIS   4  -3.915  17.913   4.951
   22    HB2  HIS   4           HB2      HIS   4  -4.436  16.979   2.703
   23    HB3  HIS   4           HB1      HIS   4  -2.945  16.044   2.727
   24    HD1  HIS   4           HD1      HIS   4  -6.224  16.276   4.664
   25    HD2  HIS   4           HD2      HIS   4  -3.273  13.516   3.718
   26    HE1  HIS   4           HE1      HIS   4  -7.038  14.083   5.562
   27    HE2  HIS   4           HE2      HIS   4  -5.324  12.411   4.814
   28    H    LYS   5           HN       LYS   5  -3.530  15.938   6.434
   29    HA   LYS   5           HA       LYS   5  -0.743  15.977   7.361
   30    HB2  LYS   5           HB2      LYS   5  -2.489  16.383   9.054
   31    HB3  LYS   5           HB1      LYS   5  -3.277  14.866   8.648
   32    HG2  LYS   5           HG2      LYS   5  -1.193  13.656   9.420
   33    HG3  LYS   5           HG1      LYS   5  -0.566  15.208   9.980
   34    HD2  LYS   5           HD2      LYS   5  -3.130  13.878  10.957
   35    HD3  LYS   5           HD1      LYS   5  -1.593  13.878  11.819
   36    HE2  LYS   5           HE2      LYS   5  -1.712  16.344  12.007
   37    HE3  LYS   5           HE1      LYS   5  -3.269  16.335  11.175
   38    HZ1  LYS   5           HZ1      LYS   5  -2.691  14.995  13.764
   39    HZ2  LYS   5           HZ2      LYS   5  -4.190  15.042  12.991
   40    HZ3  LYS   5           HZ3      LYS   5  -3.506  16.464  13.582
   41    H    CYS   6           HN       CYS   6   0.634  14.314   6.834
   42    HA   CYS   6           HA       CYS   6  -0.400  11.745   5.912
   43    HB2  CYS   6           HB2      CYS   6   1.567  12.619   4.771
   44    HB3  CYS   6           HB1      CYS   6   2.448  12.754   6.285
   45    H    ASN   7           HN       ASN   7  -1.456  11.042   7.781
   46    HA   ASN   7           HA       ASN   7  -1.433  10.914  10.284
   47    HB2  ASN   7           HB2      ASN   7  -2.638   9.237   9.004
   48    HB3  ASN   7           HB1      ASN   7  -1.158   8.346   8.679
   49   HD21  ASN   7          HD21      ASN   7  -3.531   9.179  11.137
   50   HD22  ASN   7          HD22      ASN   7  -3.120   7.906  12.237
   51    H    VAL   8           HN       VAL   8   1.050   8.716   8.944
   52    HA   VAL   8           HA       VAL   8   2.250   8.075  11.412
   53    HB   VAL   8           HB       VAL   8   3.467   7.828   8.621
   54   HG11  VAL   8          HG11      VAL   8   4.097   6.284  11.166
   55   HG12  VAL   8          HG12      VAL   8   5.145   7.461  10.373
   56   HG13  VAL   8          HG13      VAL   8   4.763   5.939   9.566
   57   HG21  VAL   8          HG21      VAL   8   1.249   6.776   8.692
   58   HG22  VAL   8          HG22      VAL   8   1.711   5.832  10.110
   59   HG23  VAL   8          HG23      VAL   8   2.510   5.550   8.561
   60    H    CYS   9           HN       CYS   9   3.492  10.090   8.736
   61    HA   CYS   9           HA       CYS   9   5.754  11.182   9.952
   62    HB2  CYS   9           HB2      CYS   9   3.929  12.304   7.796
   63    HB3  CYS   9           HB1      CYS   9   5.406  13.120   8.286
   64    H    SER  10           HN       SER  10   2.400  12.294  10.001
   65    HA   SER  10           HA       SER  10   1.200  13.848  11.056
   66    HB2  SER  10           HB2      SER  10   3.550  14.026  12.997
   67    HB3  SER  10           HB1      SER  10   1.933  14.679  13.287
   68    HG   SER  10           HG       SER  10   1.987  12.005  12.582
   69    H    ARG  11           HN       ARG  11   3.496  14.500   9.056
   70    HA   ARG  11           HA       ARG  11   3.467  17.434   9.315
   71    HB2  ARG  11           HB2      ARG  11   5.697  16.316   9.556
   72    HB3  ARG  11           HB1      ARG  11   5.498  15.576   7.976
   73    HG2  ARG  11           HG2      ARG  11   7.026  17.479   7.928
   74    HG3  ARG  11           HG1      ARG  11   5.612  17.729   6.910
   75    HD2  ARG  11           HD2      ARG  11   6.142  19.791   8.065
   76    HD3  ARG  11           HD1      ARG  11   4.612  19.162   8.673
   77    HE   ARG  11           HE       ARG  11   6.532  18.207  10.411
   78   HH11  ARG  11          HH11      ARG  11   5.417  21.386   9.402
   79   HH12  ARG  11          HH12      ARG  11   5.896  22.156  10.876
   80   HH21  ARG  11          HH21      ARG  11   7.141  19.234  12.341
   81   HH22  ARG  11          HH22      ARG  11   6.880  20.935  12.542
   82    H    THR  12           HN       THR  12   3.886  18.270   6.799
   83    HA   THR  12           HA       THR  12   1.820  17.069   5.094
   84    HB   THR  12           HB       THR  12   0.716  18.861   6.458
   85    HG1  THR  12           HG1      THR  12  -0.338  18.838   4.635
   86   HG21  THR  12          HG21      THR  12   1.268  21.236   6.074
   87   HG22  THR  12          HG22      THR  12   2.638  20.760   5.071
   88   HG23  THR  12          HG23      THR  12   2.638  20.380   6.792
   89    H    PHE  13           HN       PHE  13   2.018  17.636   2.893
   90    HA   PHE  13           HA       PHE  13   4.577  18.774   1.954
   91    HB2  PHE  13           HB2      PHE  13   2.634  16.768   0.837
   92    HB3  PHE  13           HB1      PHE  13   3.422  17.800  -0.347
   93    HD1  PHE  13           HD2      PHE  13   4.415  15.801   2.711
   94    HD2  PHE  13           HD1      PHE  13   5.344  16.886  -1.319
   95    HE1  PHE  13           HE2      PHE  13   6.372  14.313   2.753
   96    HE2  PHE  13           HE1      PHE  13   7.303  15.407  -1.259
   97    HZ   PHE  13           HZ       PHE  13   7.821  14.115   0.771
   98    H    PHE  14           HN       PHE  14   4.621  20.527   0.519
   99    HA   PHE  14           HA       PHE  14   2.756  22.516   0.590
  100    HB2  PHE  14           HB2      PHE  14   5.121  22.735  -0.202
  101    HB3  PHE  14           HB1      PHE  14   4.674  21.964  -1.721
  102    HD1  PHE  14           HD1      PHE  14   3.843  24.925   0.442
  103    HD2  PHE  14           HD2      PHE  14   3.941  23.331  -3.531
  104    HE1  PHE  14           HE1      PHE  14   3.220  27.126  -0.470
  105    HE2  PHE  14           HE2      PHE  14   3.326  25.536  -4.425
  106    HZ   PHE  14           HZ       PHE  14   2.958  27.433  -2.898
  107    H    SER  15           HN       SER  15   2.687  19.718  -1.561
  108    HA   SER  15           HA       SER  15   0.037  20.631  -2.544
  109    HB2  SER  15           HB2      SER  15   1.526  19.968  -4.363
  110    HB3  SER  15           HB1      SER  15   1.869  18.430  -3.581
  111    HG   SER  15           HG       SER  15  -0.482  19.297  -4.860
  112    H    GLU  16           HN       GLU  16  -1.739  19.591  -1.849
  113    HA   GLU  16           HA       GLU  16  -1.572  17.578   0.223
  114    HB2  GLU  16           HB2      GLU  16  -4.094  17.701   0.190
  115    HB3  GLU  16           HB1      GLU  16  -3.286  19.232   0.512
  116    HG2  GLU  16           HG2      GLU  16  -3.652  19.943  -1.814
  117    HG3  GLU  16           HG1      GLU  16  -4.411  18.393  -2.176
  118    H    ASN  17           HN       ASN  17  -2.328  17.679  -3.215
  119    HA   ASN  17           HA       ASN  17  -3.111  14.934  -3.519
  120    HB2  ASN  17           HB2      ASN  17  -3.560  16.670  -5.260
  121    HB3  ASN  17           HB1      ASN  17  -1.832  16.841  -5.539
  122   HD21  ASN  17          HD21      ASN  17  -1.901  16.244  -7.682
  123   HD22  ASN  17          HD22      ASN  17  -2.282  14.649  -8.232
  124    H    GLY  18           HN       GLY  18  -0.119  16.705  -3.518
  125    HA2  GLY  18           HA2      GLY  18   1.651  14.560  -4.290
  126    HA3  GLY  18           HA1      GLY  18   2.129  16.115  -3.624
  127    H    LEU  19           HN       LEU  19   0.504  15.881  -1.220
  128    HA   LEU  19           HA       LEU  19   2.095  14.373   0.554
  129    HB2  LEU  19           HB2      LEU  19   0.713  16.395   1.083
  130    HB3  LEU  19           HB1      LEU  19  -0.733  15.440   0.912
  131    HG   LEU  19           HG       LEU  19   0.031  15.969   3.296
  132   HD11  LEU  19          HD11      LEU  19  -1.639  14.222   2.883
  133   HD12  LEU  19          HD12      LEU  19  -0.605  13.835   4.252
  134   HD13  LEU  19          HD13      LEU  19  -0.351  13.025   2.707
  135   HD21  LEU  19          HD21      LEU  19   1.764  14.566   4.304
  136   HD22  LEU  19          HD22      LEU  19   2.426  15.609   3.041
  137   HD23  LEU  19          HD23      LEU  19   2.156  13.892   2.719
  138    H    ARG  20           HN       ARG  20  -1.209  13.816  -0.648
  139    HA   ARG  20           HA       ARG  20  -1.713  11.297   0.437
  140    HB2  ARG  20           HB2      ARG  20  -2.732  12.582  -2.095
  141    HB3  ARG  20           HB1      ARG  20  -3.349  11.043  -1.484
  142    HG2  ARG  20           HG2      ARG  20  -3.964  12.194   0.661
  143    HG3  ARG  20           HG1      ARG  20  -3.472  13.729  -0.069
  144    HD2  ARG  20           HD2      ARG  20  -5.604  11.881  -1.156
  145    HD3  ARG  20           HD1      ARG  20  -5.914  13.320  -0.191
  146    HE   ARG  20           HE       ARG  20  -4.904  14.644  -2.008
  147   HH11  ARG  20          HH11      ARG  20  -6.040  11.444  -2.850
  148   HH12  ARG  20          HH12      ARG  20  -6.353  11.858  -4.502
  149   HH21  ARG  20          HH21      ARG  20  -5.342  15.174  -4.182
  150   HH22  ARG  20          HH22      ARG  20  -5.961  13.959  -5.254
  151    H    GLU  21           HN       GLU  21  -0.290  12.133  -2.664
  152    HA   GLU  21           HA       GLU  21   0.256   9.610  -3.725
  153    HB2  GLU  21           HB2      GLU  21   0.386  11.750  -4.964
  154    HB3  GLU  21           HB1      GLU  21   1.794  12.221  -4.017
  155    HG2  GLU  21           HG2      GLU  21   3.064  10.322  -4.992
  156    HG3  GLU  21           HG1      GLU  21   1.661   9.906  -5.976
  157    H    HIS  22           HN       HIS  22   2.148  11.690  -1.580
  158    HA   HIS  22           HA       HIS  22   4.471  10.076  -1.308
  159    HB2  HIS  22           HB2      HIS  22   4.876  12.300  -0.712
  160    HB3  HIS  22           HB1      HIS  22   3.313  12.499   0.064
  161    HD1  HIS  22           HD1      HIS  22   6.809  11.255   0.791
  162    HD2  HIS  22           HD2      HIS  22   3.221  11.979   2.738
  163    HE1  HIS  22           HE1      HIS  22   7.253  10.913   3.253
  164    H    LEU  23           HN       LEU  23   1.420  10.199   0.476
  165    HA   LEU  23           HA       LEU  23   2.199   8.981   2.858
  166    HB2  LEU  23           HB2      LEU  23   0.125  10.355   2.252
  167    HB3  LEU  23           HB1      LEU  23  -0.567   8.884   1.603
  168    HG   LEU  23           HG       LEU  23   0.335   8.999   4.499
  169   HD11  LEU  23          HD11      LEU  23  -1.893   9.735   5.182
  170   HD12  LEU  23          HD12      LEU  23  -2.381   9.899   3.493
  171   HD13  LEU  23          HD13      LEU  23  -1.128  10.951   4.155
  172   HD21  LEU  23          HD21      LEU  23  -0.259   6.790   3.592
  173   HD22  LEU  23          HD22      LEU  23  -1.848   7.397   3.126
  174   HD23  LEU  23          HD23      LEU  23  -1.403   7.301   4.832
  175    H    GLN  24           HN       GLN  24   1.104   7.637  -0.175
  176    HA   GLN  24           HA       GLN  24   0.689   4.944   0.608
  177    HB2  GLN  24           HB2      GLN  24   1.305   6.088  -2.144
  178    HB3  GLN  24           HB1      GLN  24   0.585   4.513  -1.818
  179    HG2  GLN  24           HG2      GLN  24  -1.435   5.531  -0.956
  180    HG3  GLN  24           HG1      GLN  24  -0.709   7.137  -1.013
  181   HE21  GLN  24          HE21      GLN  24  -0.396   8.121  -3.054
  182   HE22  GLN  24          HE22      GLN  24  -1.276   7.618  -4.453
  183    H    THR  25           HN       THR  25   3.625   6.680   0.034
  184    HA   THR  25           HA       THR  25   5.222   4.521  -1.001
  185    HB   THR  25           HB       THR  25   7.155   5.960  -0.765
  186    HG1  THR  25           HG1      THR  25   6.063   8.175   0.307
  187   HG21  THR  25          HG21      THR  25   4.773   7.646  -1.610
  188   HG22  THR  25          HG22      THR  25   5.686   6.552  -2.653
  189   HG23  THR  25          HG23      THR  25   6.458   7.997  -1.998
  190    H    HIS  26           HN       HIS  26   4.020   5.098   2.100
  191    HA   HIS  26           HA       HIS  26   6.266   3.998   3.610
  192    HB2  HIS  26           HB2      HIS  26   3.429   4.693   4.487
  193    HB3  HIS  26           HB1      HIS  26   4.711   4.154   5.568
  194    HD1  HIS  26           HD1      HIS  26   7.047   5.834   4.935
  195    HD2  HIS  26           HD2      HIS  26   3.180   7.365   4.830
  196    HE1  HIS  26           HE1      HIS  26   7.261   8.335   5.147
  197    H    ARG  27           HN       ARG  27   3.282   2.924   2.170
  198    HA   ARG  27           HA       ARG  27   3.683   0.123   2.937
  199    HB2  ARG  27           HB2      ARG  27   1.378   1.124   2.608
  200    HB3  ARG  27           HB1      ARG  27   1.770   1.387   0.910
  201    HG2  ARG  27           HG2      ARG  27   2.032  -1.089   0.630
  202    HG3  ARG  27           HG1      ARG  27   1.532  -1.297   2.313
  203    HD2  ARG  27           HD2      ARG  27  -0.397  -1.685   0.916
  204    HD3  ARG  27           HD1      ARG  27  -0.637  -0.142   1.744
  205    HE   ARG  27           HE       ARG  27   0.340  -0.330  -1.054
  206   HH11  ARG  27          HH11      ARG  27  -1.841   1.139   1.279
  207   HH12  ARG  27          HH12      ARG  27  -2.573   2.183   0.100
  208   HH21  ARG  27          HH21      ARG  27  -0.651   1.017  -2.566
  209   HH22  ARG  27          HH22      ARG  27  -1.902   2.111  -2.066
  210    H    GLY  28           HN       GLY  28   4.387   2.401   0.435
  211    HA2  GLY  28           HA2      GLY  28   6.216   2.094  -1.115
  212    HA3  GLY  28           HA1      GLY  28   5.722   0.411  -1.304
  213    HA   PRO  29           HA       PRO  29   3.432   3.501  -4.333
  214    HB2  PRO  29           HB2      PRO  29   4.955   3.055  -6.617
  215    HB3  PRO  29           HB1      PRO  29   5.208   4.404  -5.505
  216    HG2  PRO  29           HG2      PRO  29   6.657   1.760  -5.635
  217    HG3  PRO  29           HG1      PRO  29   7.327   3.400  -5.451
  218    HD2  PRO  29           HD2      PRO  29   7.043   1.777  -3.322
  219    HD3  PRO  29           HD1      PRO  29   6.737   3.524  -3.186
  220    H    ALA  30           HN       ALA  30   1.893   2.692  -5.885
  221    HA   ALA  30           HA       ALA  30   1.564  -0.166  -6.074
  222    HB1  ALA  30           HB1      ALA  30  -0.473   0.363  -7.333
  223    HB2  ALA  30           HB2      ALA  30   0.001   2.059  -7.421
  224    HB3  ALA  30           HB3      ALA  30  -0.379   1.333  -5.861
  225    H    LYS  31           HN       LYS  31   3.949   0.100  -7.073
  226    HA   LYS  31           HA       LYS  31   3.775  -0.379  -9.944
  227    HB2  LYS  31           HB2      LYS  31   5.785   1.541  -8.673
  228    HB3  LYS  31           HB1      LYS  31   5.839   0.973 -10.342
  229    HG2  LYS  31           HG2      LYS  31   3.602   2.051 -10.724
  230    HG3  LYS  31           HG1      LYS  31   3.701   2.740  -9.098
  231    HD2  LYS  31           HD2      LYS  31   5.730   3.980  -9.725
  232    HD3  LYS  31           HD1      LYS  31   5.715   3.228 -11.325
  233    HE2  LYS  31           HE2      LYS  31   3.456   4.294 -11.701
  234    HE3  LYS  31           HE1      LYS  31   3.690   5.199 -10.207
  235    HZ1  LYS  31           HZ1      LYS  31   4.317   6.471 -12.154
  236    HZ2  LYS  31           HZ2      LYS  31   5.447   5.301 -12.598
  237    HZ3  LYS  31           HZ3      LYS  31   5.668   6.180 -11.173
  238    H    HIS  32           HN       HIS  32   5.550  -1.647 -10.743
  239    HA   HIS  32           HA       HIS  32   6.900  -3.450 -10.733
  240    HB2  HIS  32           HB2      HIS  32   8.566  -1.785  -9.932
  241    HB3  HIS  32           HB1      HIS  32   8.102  -2.101  -8.265
  242    HD1  HIS  32           HD1      HIS  32   9.227  -4.064  -7.100
  243    HD2  HIS  32           HD2      HIS  32  10.038  -3.944 -11.177
  244    HE1  HIS  32           HE1      HIS  32  11.025  -5.767  -7.484
  245    HE2  HIS  32           HE2      HIS  32  11.540  -5.646  -9.943
  246    H    TYR  33           HN       TYR  33   4.935  -4.660 -10.279
  247    HA   TYR  33           HA       TYR  33   4.958  -6.006  -7.645
  248    HB2  TYR  33           HB2      TYR  33   2.617  -5.047  -9.317
  249    HB3  TYR  33           HB1      TYR  33   2.411  -6.501  -8.338
  250    HD1  TYR  33           HD1      TYR  33   3.438  -2.901  -8.097
  251    HD2  TYR  33           HD2      TYR  33   1.987  -6.324  -5.991
  252    HE1  TYR  33           HE1      TYR  33   3.114  -1.538  -6.093
  253    HE2  TYR  33           HE2      TYR  33   1.652  -4.944  -3.985
  254    HH   TYR  33           HH       TYR  33   2.517  -2.869  -3.038
  255    H    MET  34           HN       MET  34   5.456  -8.028  -7.651
  256    HA   MET  34           HA       MET  34   5.428  -9.633 -10.121
  257    HB2  MET  34           HB2      MET  34   7.547  -9.603  -8.829
  258    HB3  MET  34           HB1      MET  34   6.696 -10.114  -7.382
  259    HG2  MET  34           HG2      MET  34   6.200 -12.286  -8.435
  260    HG3  MET  34           HG1      MET  34   7.049 -11.767  -9.897
  261    HE1  MET  34           HE1      MET  34   8.584 -14.040  -9.673
  262    HE2  MET  34           HE2      MET  34   7.720 -14.462  -8.191
  263    HE3  MET  34           HE3      MET  34   9.483 -14.428  -8.207
  264    H    CYS  35           HN       CYS  35   4.103 -11.480 -10.233
  265    HA   CYS  35           HA       CYS  35   1.698 -11.425  -8.736
  266    HB2  CYS  35           HB2      CYS  35   1.721 -12.230 -10.999
  267    HB3  CYS  35           HB1      CYS  35   2.881 -13.459 -10.612
  268    HA   PRO  36           HA       PRO  36   2.897 -14.159  -5.288
  269    HB2  PRO  36           HB2      PRO  36   0.386 -14.755  -4.327
  270    HB3  PRO  36           HB1      PRO  36   1.195 -13.212  -4.026
  271    HG2  PRO  36           HG2      PRO  36  -0.879 -13.892  -6.109
  272    HG3  PRO  36           HG1      PRO  36  -0.794 -12.475  -5.034
  273    HD2  PRO  36           HD2      PRO  36   0.015 -12.370  -7.627
  274    HD3  PRO  36           HD1      PRO  36   0.818 -11.415  -6.360
  275    H    ILE  37           HN       ILE  37   0.314 -15.211  -7.594
  276    HA   ILE  37           HA       ILE  37   0.334 -17.906  -6.620
  277    HB   ILE  37           HB       ILE  37  -1.029 -16.828  -9.124
  278   HG12  ILE  37          HG12      ILE  37  -2.145 -16.938  -6.274
  279   HG13  ILE  37          HG11      ILE  37  -1.663 -15.469  -7.111
  280   HG21  ILE  37          HG21      ILE  37  -0.971 -19.293  -8.981
  281   HG22  ILE  37          HG22      ILE  37  -2.616 -18.689  -8.790
  282   HG23  ILE  37          HG23      ILE  37  -1.702 -19.225  -7.378
  283   HD11  ILE  37          HD11      ILE  37  -3.953 -17.290  -7.849
  284   HD12  ILE  37          HD12      ILE  37  -3.454 -15.869  -8.768
  285   HD13  ILE  37          HD13      ILE  37  -4.051 -15.688  -7.119
  286    H    CYS  38           HN       CYS  38   1.187 -16.538  -9.899
  287    HA   CYS  38           HA       CYS  38   2.772 -18.979 -10.418
  288    HB2  CYS  38           HB2      CYS  38   2.446 -18.576 -12.780
  289    HB3  CYS  38           HB1      CYS  38   0.894 -18.598 -11.980
  290    H    GLY  39           HN       GLY  39   2.990 -15.368 -10.960
  291    HA2  GLY  39           HA2      GLY  39   4.603 -14.216  -9.746
  292    HA3  GLY  39           HA1      GLY  39   5.623 -15.638  -9.729
  293    H    GLU  40           HN       GLU  40   4.181 -14.202 -12.655
  294    HA   GLU  40           HA       GLU  40   6.790 -13.294 -13.561
  295    HB2  GLU  40           HB2      GLU  40   5.670 -12.625 -15.601
  296    HB3  GLU  40           HB1      GLU  40   5.234 -14.272 -15.200
  297    HG2  GLU  40           HG2      GLU  40   3.455 -11.897 -14.593
  298    HG3  GLU  40           HG1      GLU  40   3.407 -12.764 -16.104
  299    H    ARG  41           HN       ARG  41   7.086 -11.070 -14.307
  300    HA   ARG  41           HA       ARG  41   6.461  -9.205 -12.167
  301    HB2  ARG  41           HB2      ARG  41   8.175  -8.986 -14.664
  302    HB3  ARG  41           HB1      ARG  41   7.963  -7.659 -13.527
  303    HG2  ARG  41           HG2      ARG  41   9.051  -8.894 -11.762
  304    HG3  ARG  41           HG1      ARG  41   9.122 -10.353 -12.758
  305    HD2  ARG  41           HD2      ARG  41  11.290  -9.071 -12.618
  306    HD3  ARG  41           HD1      ARG  41  10.711  -9.351 -14.263
  307    HE   ARG  41           HE       ARG  41  10.348  -6.780 -12.819
  308   HH11  ARG  41          HH11      ARG  41  11.221  -8.495 -15.758
  309   HH12  ARG  41          HH12      ARG  41  11.466  -7.041 -16.670
  310   HH21  ARG  41          HH21      ARG  41  10.654  -4.898 -14.042
  311   HH22  ARG  41          HH22      ARG  41  11.161  -5.013 -15.698
  312    H    PHE  42           HN       PHE  42   5.189  -7.393 -12.306
  313    HA   PHE  42           HA       PHE  42   4.042  -6.568 -14.896
  314    HB2  PHE  42           HB2      PHE  42   2.625  -6.816 -12.206
  315    HB3  PHE  42           HB1      PHE  42   1.966  -5.882 -13.548
  316    HD1  PHE  42           HD2      PHE  42   1.359  -7.010 -15.693
  317    HD2  PHE  42           HD1      PHE  42   2.492  -9.247 -12.229
  318    HE1  PHE  42           HE2      PHE  42   0.419  -9.047 -16.697
  319    HE2  PHE  42           HE1      PHE  42   1.564 -11.273 -13.249
  320    HZ   PHE  42           HZ       PHE  42   0.523 -11.180 -15.477
  321    HA   PRO  43           HA       PRO  43   5.743  -2.588 -14.044
  322    HB2  PRO  43           HB2      PRO  43   3.972  -0.906 -15.321
  323    HB3  PRO  43           HB1      PRO  43   5.092  -1.973 -16.185
  324    HG2  PRO  43           HG2      PRO  43   2.187  -2.458 -15.497
  325    HG3  PRO  43           HG1      PRO  43   3.011  -2.650 -17.063
  326    HD2  PRO  43           HD2      PRO  43   2.555  -4.769 -15.482
  327    HD3  PRO  43           HD1      PRO  43   4.074  -4.635 -16.401
  328    H    SER  44           HN       SER  44   2.473  -3.308 -12.882
  329    HA   SER  44           HA       SER  44   2.700  -1.455 -10.704
  330    HB2  SER  44           HB2      SER  44   0.673  -0.112 -11.362
  331    HB3  SER  44           HB1      SER  44   2.055   0.160 -12.398
  332    HG   SER  44           HG       SER  44   1.037  -1.493 -13.817
  333    H    LEU  45           HN       LEU  45   0.760  -1.400  -9.357
  334    HA   LEU  45           HA       LEU  45  -0.656  -3.969  -9.206
  335    HB2  LEU  45           HB2      LEU  45   0.298  -2.880  -7.163
  336    HB3  LEU  45           HB1      LEU  45  -0.822  -1.545  -7.369
  337    HG   LEU  45           HG       LEU  45  -2.741  -3.097  -6.978
  338   HD11  LEU  45          HD11      LEU  45  -0.629  -5.214  -6.478
  339   HD12  LEU  45          HD12      LEU  45  -1.767  -5.173  -7.827
  340   HD13  LEU  45          HD13      LEU  45  -2.361  -5.387  -6.184
  341   HD21  LEU  45          HD21      LEU  45  -1.786  -1.880  -5.061
  342   HD22  LEU  45          HD22      LEU  45  -0.649  -3.198  -4.773
  343   HD23  LEU  45          HD23      LEU  45  -2.381  -3.464  -4.567
  344    H    LEU  46           HN       LEU  46  -1.438  -3.161 -11.415
  345    HA   LEU  46           HA       LEU  46  -4.183  -2.262 -11.261
  346    HB2  LEU  46           HB2      LEU  46  -2.145  -0.817 -13.025
  347    HB3  LEU  46           HB1      LEU  46  -3.866  -0.789 -13.343
  348    HG   LEU  46           HG       LEU  46  -3.992   0.249 -10.879
  349   HD11  LEU  46          HD11      LEU  46  -1.615   0.018 -10.328
  350   HD12  LEU  46          HD12      LEU  46  -2.103   1.709 -10.324
  351   HD13  LEU  46          HD13      LEU  46  -1.183   1.059 -11.685
  352   HD21  LEU  46          HD21      LEU  46  -3.921   2.518 -11.851
  353   HD22  LEU  46          HD22      LEU  46  -4.780   1.393 -12.898
  354   HD23  LEU  46          HD23      LEU  46  -3.131   1.880 -13.298
  355    H    THR  47           HN       THR  47  -1.460  -2.990 -13.412
  356    HA   THR  47           HA       THR  47  -2.865  -4.688 -15.204
  357    HB   THR  47           HB       THR  47  -0.582  -5.268 -16.022
  358    HG1  THR  47           HG1      THR  47   0.924  -5.216 -14.537
  359   HG21  THR  47          HG21      THR  47  -0.887  -2.300 -15.383
  360   HG22  THR  47          HG22      THR  47  -1.582  -3.129 -16.780
  361   HG23  THR  47          HG23      THR  47   0.168  -2.983 -16.623
  362    H    LEU  48           HN       LEU  48  -0.799  -5.320 -12.340
  363    HA   LEU  48           HA       LEU  48  -1.030  -8.114 -12.228
  364    HB2  LEU  48           HB2      LEU  48   0.537  -6.653 -10.891
  365    HB3  LEU  48           HB1      LEU  48  -0.807  -6.168  -9.887
  366    HG   LEU  48           HG       LEU  48   0.834  -7.918  -8.922
  367   HD11  LEU  48          HD11      LEU  48  -0.870  -9.202  -7.731
  368   HD12  LEU  48          HD12      LEU  48  -2.098  -8.682  -8.888
  369   HD13  LEU  48          HD13      LEU  48  -1.319  -7.501  -7.835
  370   HD21  LEU  48          HD21      LEU  48   1.065  -9.347 -10.892
  371   HD22  LEU  48          HD22      LEU  48  -0.634  -9.804 -10.788
  372   HD23  LEU  48          HD23      LEU  48   0.490 -10.273  -9.512
  373    H    THR  49           HN       THR  49  -3.209  -5.576 -11.137
  374    HA   THR  49           HA       THR  49  -5.160  -7.103  -9.808
  375    HB   THR  49           HB       THR  49  -5.431  -4.474 -11.323
  376    HG1  THR  49           HG1      THR  49  -4.957  -3.531  -9.400
  377   HG21  THR  49          HG21      THR  49  -7.662  -5.496 -10.958
  378   HG22  THR  49          HG22      THR  49  -7.444  -4.045  -9.984
  379   HG23  THR  49          HG23      THR  49  -7.310  -5.635  -9.233
  380    H    GLU  50           HN       GLU  50  -4.913  -6.095 -13.214
  381    HA   GLU  50           HA       GLU  50  -7.352  -7.235 -14.161
  382    HB2  GLU  50           HB2      GLU  50  -4.794  -6.552 -15.670
  383    HB3  GLU  50           HB1      GLU  50  -6.329  -6.957 -16.435
  384    HG2  GLU  50           HG2      GLU  50  -7.375  -4.960 -15.448
  385    HG3  GLU  50           HG1      GLU  50  -5.879  -4.580 -14.606
  386    H    HIS  51           HN       HIS  51  -4.079  -8.430 -13.884
  387    HA   HIS  51           HA       HIS  51  -4.339 -10.957 -15.075
  388    HB2  HIS  51           HB2      HIS  51  -2.192  -9.860 -14.586
  389    HB3  HIS  51           HB1      HIS  51  -2.508  -9.948 -12.862
  390    HD1  HIS  51           HD1      HIS  51  -2.242 -12.522 -15.702
  391    HD2  HIS  51           HD2      HIS  51  -1.066 -11.876 -11.780
  392    HE1  HIS  51           HE1      HIS  51  -0.818 -14.504 -15.046
  393    H    LYS  52           HN       LYS  52  -4.744  -9.888 -11.718
  394    HA   LYS  52           HA       LYS  52  -5.093 -12.344 -10.436
  395    HB2  LYS  52           HB2      LYS  52  -4.495 -10.327  -9.236
  396    HB3  LYS  52           HB1      LYS  52  -5.993  -9.538  -9.701
  397    HG2  LYS  52           HG2      LYS  52  -7.249 -11.175  -8.279
  398    HG3  LYS  52           HG1      LYS  52  -5.704 -11.862  -7.762
  399    HD2  LYS  52           HD2      LYS  52  -5.048  -9.761  -6.730
  400    HD3  LYS  52           HD1      LYS  52  -6.448  -8.934  -7.410
  401    HE2  LYS  52           HE2      LYS  52  -6.808  -9.358  -5.054
  402    HE3  LYS  52           HE1      LYS  52  -7.929 -10.320  -6.014
  403    HZ1  LYS  52           HZ1      LYS  52  -6.900 -11.507  -4.119
  404    HZ2  LYS  52           HZ2      LYS  52  -5.403 -11.380  -4.884
  405    HZ3  LYS  52           HZ3      LYS  52  -6.647 -12.266  -5.603
  406    H    VAL  53           HN       VAL  53  -7.583 -10.179 -11.840
  407    HA   VAL  53           HA       VAL  53  -9.817 -11.233 -10.483
  408    HB   VAL  53           HB       VAL  53 -11.205  -9.991 -12.123
  409   HG11  VAL  53          HG11      VAL  53 -10.250  -8.753 -10.243
  410   HG12  VAL  53          HG12      VAL  53 -10.332  -7.720 -11.671
  411   HG13  VAL  53          HG13      VAL  53  -8.790  -8.420 -11.177
  412   HG21  VAL  53          HG21      VAL  53  -9.944 -10.433 -14.193
  413   HG22  VAL  53          HG22      VAL  53  -8.601  -9.454 -13.597
  414   HG23  VAL  53          HG23      VAL  53 -10.155  -8.699 -13.950
  415    H    THR  54           HN       THR  54  -8.194 -12.401 -13.266
  416    HA   THR  54           HA       THR  54 -10.247 -14.536 -13.635
  417    HB   THR  54           HB       THR  54  -9.300 -14.761 -16.013
  418    HG1  THR  54           HG1      THR  54  -8.451 -12.249 -16.305
  419   HG21  THR  54          HG21      THR  54 -10.667 -12.129 -15.320
  420   HG22  THR  54          HG22      THR  54 -11.478 -13.665 -15.636
  421   HG23  THR  54          HG23      THR  54 -10.593 -12.852 -16.928
  422    H    HIS  55           HN       HIS  55  -6.852 -13.908 -14.235
  423    HA   HIS  55           HA       HIS  55  -4.913 -15.001 -14.025
  424    HB2  HIS  55           HB2      HIS  55  -5.698 -14.779 -11.601
  425    HB3  HIS  55           HB1      HIS  55  -6.153 -16.475 -11.677
  426    HD1  HIS  55           HD1      HIS  55  -3.987 -18.118 -12.416
  427    HD2  HIS  55           HD2      HIS  55  -3.159 -14.339 -10.948
  428    HE1  HIS  55           HE1      HIS  55  -1.502 -18.063 -11.968