*HEADER   ANTIMICROBIAL PEPTIDE                   24-JUN-98   1LFC    
*TITLE    BOVINE LACTOFERRICIN (LFCINB), NMR, 20 STRUCTURES           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: LACTOFERRICIN;                                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RESIDUES 17 - 41 OF INTACT LACTOFERRIN;          
*COMPND  5 SYNONYM: LACTOTRANSFERRIN;                                 
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: BOS TAURUS;                           
*SOURCE  4 ORGANISM_COMMON: BOVINE;                                   
*SOURCE  5 SECRETION: MILK, EXOCRINE                                  
*KEYWDS   ANTIMICROBIAL PEPTIDE, PROTEOLYTIC FRAGMENT, IRON TRANSPORT 
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   P.M.HWANG,N.ZHOU,X.SHAN,C.H.ARROWSMITH,H.J.VOGEL            
*REVDAT  2   18-NOV-98 1LFCA   1       COMPND REMARK TITLE  DBREF     
*REVDAT  2 2                   1       KEYWDS                         
*REVDAT  1   04-NOV-98 1LFC    0                                      
 
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assign (resid    8 and    name HE1  )(resid   16 and    name HG#  ) 0.0 1.0 6.0
assign (resid    8 and    name HE3  )(resid   16 and    name HB2  ) 0.0 0.0 3.5
assign (resid    8 and    name HE3  )(resid   16 and    name HB1  ) 0.0 0.0 5.0
assign (resid    8 and    name HE3  )(resid   16 and    name HG#  ) 0.0 1.0 6.0
assign (resid    8 and    name HZ3  )(resid   16 and    name HB2  ) 0.0 0.0 5.0
assign (resid    8 and    name HZ3  )(resid   16 and    name HG#  ) 0.0 1.0 6.0
assign (resid    8 and    name HZ2  )(resid   16 and    name HG#  ) 0.0 1.0 6.0
assign (resid    8 and    name HE3  )(resid   16 and    name HA   ) 0.0 0.0 5.0
assign (resid    8 and    name HB#  )(resid   17 and    name HN   ) 0.0 1.0 6.0
assign (resid    8 and    name HE3  )(resid   17 and    name HN   ) 0.0 0.0 5.0
assign (resid    8 and    name HA   )(resid   18 and    name HA   ) 0.0 0.0 3.5
assign (resid    8 and    name HE1  )(resid   18 and    name HG2# ) 0.0 1.0 6.0
assign (resid    8 and    name HE1  )(resid   18 and    name HD1# ) 0.0 1.0 6.0
assign (resid    8 and    name HE3  )(resid   18 and    name HA   ) 0.0 0.0 5.0
assign (resid    8 and    name HE3  )(resid   18 and    name HG2# ) 0.0 1.0 6.0
assign (resid    8 and    name HE3  )(resid   18 and    name HD1# ) 0.0 1.0 6.0
assign (resid    8 and    name HD1  )(resid   18 and    name HA   ) 0.0 0.0 5.0
assign (resid    8 and    name HD1  )(resid   18 and    name HG12 ) 0.0 0.0 5.0
assign (resid    8 and    name HD1  )(resid   18 and    name HG2# ) 0.0 1.0 6.0
assign (resid    8 and    name HD1  )(resid   18 and    name HD1# ) 0.0 1.0 6.0
assign (resid    8 and    name HZ2  )(resid   18 and    name HD1# ) 0.0 1.0 6.0
assign (resid    9 and    name HN   )(resid   18 and    name HA   ) 0.0 0.0 5.0
assign (resid    9 and    name HB1  )(resid   17 and    name HB#  ) 0.0 1.0 6.0
assign (resid    9 and    name HB2  )(resid   17 and    name HB#  ) 0.0 1.0 6.0
assign (resid    9 and    name HG#  )(resid   17 and    name HB#  ) 0.0 2.0 7.0
assign (resid    9 and    name HB#  )(resid   18 and    name HN   ) 0.0 1.0 6.0
assign (resid    9 and    name HG#  )(resid   19 and    name HB   ) 0.0 1.0 6.0
assign (resid    9 and    name HD#  )(resid   19 and    name HG#  ) 0.0 2.0 7.0
assign (resid   10 and    name HA   )(resid   16 and    name HA   ) 0.0 0.0 3.5
assign (resid   10 and    name HA   )(resid   16 and    name HB1  ) 0.0 0.0 5.0
assign (resid   11 and    name HN   )(resid   16 and    name HB1  ) 0.0 0.0 5.0
assign (resid   11 and    name HB#  )(resid   17 and    name HB#  ) 0.0 2.0 7.0
assign (resid   11 and    name HG#  )(resid   17 and    name HB#  ) 0.0 2.0 7.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          2H        PHE   1 -12.336   2.290   1.588
    2   2H    PHE   1          1H        PHE   1 -13.109   2.802   0.163
    3   3H    PHE   1          3H        PHE   1 -13.617   1.381   0.938
    4    HA   PHE   1           HA       PHE   1 -12.331   0.656  -0.893
    5   1HB   PHE   1          2HB       PHE   1 -11.444   3.008  -1.171
    6   2HB   PHE   1          1HB       PHE   1 -10.260   2.645   0.085
    7    HD1  PHE   1           HD2      PHE   1 -11.619   0.657  -2.793
    8    HD2  PHE   1           HD1      PHE   1  -8.158   2.327  -0.876
    9    HE1  PHE   1           HE2      PHE   1 -10.160  -0.430  -4.480
   10    HE2  PHE   1           HE1      PHE   1  -6.699   1.240  -2.561
   11    HZ   PHE   1           HZ       PHE   1  -7.700  -0.139  -4.363
   12    H    LYS   2           H        LYS   2 -11.460  -1.324  -0.404
   13    HA   LYS   2           HA       LYS   2  -9.728  -1.550   2.034
   14   1HB   LYS   2          2HB       LYS   2 -12.335  -2.447   1.731
   15   2HB   LYS   2          1HB       LYS   2 -11.379  -3.884   1.368
   16   1HG   LYS   2          2HG       LYS   2 -10.032  -3.101   3.526
   17   2HG   LYS   2          1HG       LYS   2 -11.570  -2.328   3.914
   18   1HD   LYS   2          2HD       LYS   2 -12.740  -4.396   3.890
   19   2HD   LYS   2          1HD       LYS   2 -11.412  -5.226   3.078
   20   1HE   LYS   2          2HE       LYS   2 -10.272  -4.161   5.423
   21   2HE   LYS   2          1HE       LYS   2 -11.831  -4.849   5.921
   22   1HZ   LYS   2          2HZ       LYS   2 -11.240  -6.809   4.490
   23   2HZ   LYS   2          1HZ       LYS   2  -9.663  -6.182   4.399
   24   3HZ   LYS   2          3HZ       LYS   2 -10.307  -6.638   5.899
   25    H    CYS   3           H        CYS   3  -7.765  -1.803   0.907
   26    HA   CYS   3           HA       CYS   3  -7.432  -3.337  -1.503
   27   1HB   CYS   3          2HB       CYS   3  -5.970  -1.563  -0.096
   28   2HB   CYS   3          1HB       CYS   3  -5.203  -3.055   0.446
   29    H    ARG   4           H        ARG   4  -5.231  -4.964  -0.829
   30    HA   ARG   4           HA       ARG   4  -6.200  -6.948   1.144
   31   1HB   ARG   4          2HB       ARG   4  -7.461  -7.632  -0.732
   32   2HB   ARG   4          1HB       ARG   4  -6.138  -7.298  -1.848
   33   1HG   ARG   4          2HG       ARG   4  -5.730  -9.346   0.301
   34   2HG   ARG   4          1HG       ARG   4  -6.666  -9.784  -1.128
   35   1HD   ARG   4          2HD       ARG   4  -4.596  -8.614  -2.375
   36   2HD   ARG   4          1HD       ARG   4  -3.760  -9.140  -0.901
   37    HE   ARG   4           HE       ARG   4  -4.609 -11.444  -1.365
   38   1HH1  ARG   4          1HH1      ARG   4  -5.872 -11.723  -4.750
   39   2HH1  ARG   4          2HH1      ARG   4  -6.567 -11.760  -3.164
   40   1HH2  ARG   4          1HH2      ARG   4  -2.921 -10.228  -3.710
   41   2HH2  ARG   4          2HH2      ARG   4  -3.808 -10.855  -5.060
   42    H    ARG   5           H        ARG   5  -3.710  -5.963  -1.195
   43    HA   ARG   5           HA       ARG   5  -1.689  -7.282   0.552
   44   1HB   ARG   5          2HB       ARG   5  -2.628  -8.175  -2.039
   45   2HB   ARG   5          1HB       ARG   5  -0.901  -7.822  -2.091
   46   1HG   ARG   5          2HG       ARG   5  -1.873  -9.321   0.286
   47   2HG   ARG   5          1HG       ARG   5  -1.868 -10.193  -1.247
   48   1HD   ARG   5          2HD       ARG   5   0.529  -9.530  -1.569
   49   2HD   ARG   5          1HD       ARG   5   0.503  -8.806   0.051
   50    HE   ARG   5           HE       ARG   5  -0.358 -11.639  -0.228
   51   1HH1  ARG   5          1HH2      ARG   5   0.765  -9.474   1.969
   52   2HH1  ARG   5          2HH2      ARG   5   2.087 -10.431   2.554
   53   1HH2  ARG   5          2HH1      ARG   5   1.835 -12.797   0.032
   54   2HH2  ARG   5          1HH1      ARG   5   2.691 -12.312   1.457
   55    H    TRP   6           H        TRP   6  -1.141  -4.991   1.041
   56    HA   TRP   6           HA       TRP   6  -0.327  -3.127  -0.967
   57   1HB   TRP   6          2HB       TRP   6   0.307  -3.498   1.972
   58   2HB   TRP   6          1HB       TRP   6   0.751  -2.058   1.055
   59    HD1  TRP   6           HD1      TRP   6  -2.268  -3.943   2.346
   60    HE1  TRP   6           HE1      TRP   6  -4.319  -2.386   2.206
   61    HE3  TRP   6           HE3      TRP   6  -0.192  -0.064  -0.132
   62    HZ2  TRP   6           HZ2      TRP   6  -4.980   0.219   1.171
   63    HZ3  TRP   6           HZ3      TRP   6  -1.523   1.964  -0.698
   64    HH2  TRP   6           HH2      TRP   6  -3.915   2.105  -0.048
   65    H    GLN   7           H        GLN   7   1.232  -3.978  -2.426
   66    HA   GLN   7           HA       GLN   7   3.567  -5.457  -1.394
   67   1HB   GLN   7          2HB       GLN   7   2.643  -6.274  -3.414
   68   2HB   GLN   7          1HB       GLN   7   2.467  -4.653  -4.087
   69   1HG   GLN   7          2HG       GLN   7   4.816  -4.434  -4.436
   70   2HG   GLN   7          1HG       GLN   7   5.170  -5.840  -3.431
   71   1HE2  GLN   7          2HE2      GLN   7   5.258  -7.795  -6.362
   72   2HE2  GLN   7          1HE2      GLN   7   6.059  -7.294  -4.952
   73    H    TRP   8           H        TRP   8   5.192  -4.226  -0.507
   74    HA   TRP   8           HA       TRP   8   5.671  -1.489  -0.769
   75   1HB   TRP   8          2HB       TRP   8   7.288  -3.926  -0.153
   76   2HB   TRP   8          1HB       TRP   8   8.128  -2.382  -0.323
   77    HD1  TRP   8           HD1      TRP   8   6.137  -4.359   2.057
   78    HE1  TRP   8           HE1      TRP   8   5.555  -2.966   4.138
   79    HE3  TRP   8           HE3      TRP   8   7.434   0.240   0.391
   80    HZ2  TRP   8           HZ2      TRP   8   5.641  -0.232   4.992
   81    HZ3  TRP   8           HZ3      TRP   8   7.187   2.242   1.837
   82    HH2  TRP   8           HH2      TRP   8   6.286   2.009   4.139
   83    H    ARG   9           H        ARG   9   5.713  -0.549  -2.829
   84    HA   ARG   9           HA       ARG   9   7.065  -1.818  -5.089
   85   1HB   ARG   9          2HB       ARG   9   5.728   0.836  -4.526
   86   2HB   ARG   9          1HB       ARG   9   6.497   0.500  -6.077
   87   1HG   ARG   9          2HG       ARG   9   5.022  -1.323  -6.527
   88   2HG   ARG   9          1HG       ARG   9   4.427  -1.342  -4.867
   89   1HD   ARG   9          2HD       ARG   9   2.698  -0.156  -5.868
   90   2HD   ARG   9          1HD       ARG   9   3.785   1.199  -5.502
   91    HE   ARG   9           HE       ARG   9   4.633   0.136  -7.974
   92   1HH1  ARG   9          1HH2      ARG   9   1.633  -0.185  -8.300
   93   2HH1  ARG   9          2HH2      ARG   9   1.204   1.327  -9.026
   94   1HH2  ARG   9          2HH1      ARG   9   4.186   2.883  -8.181
   95   2HH2  ARG   9          1HH1      ARG   9   2.650   3.064  -8.959
   96    H    MET  10           H        MET  10   8.603  -0.066  -6.329
   97    HA   MET  10           HA       MET  10  10.920   0.257  -4.559
   98   1HB   MET  10          2HB       MET  10  10.723   1.265  -7.384
   99   2HB   MET  10          1HB       MET  10  12.093   0.525  -6.568
  100   1HG   MET  10          2HG       MET  10  10.456  -1.567  -6.441
  101   2HG   MET  10          1HG       MET  10   9.723  -0.781  -7.840
  102   1HE   MET  10          3HE       MET  10  10.804  -3.460  -7.529
  103   2HE   MET  10          2HE       MET  10  12.084  -3.875  -8.668
  104   3HE   MET  10          1HE       MET  10  12.495  -3.450  -7.009
  105    H    LYS  11           H        LYS  11  11.987   2.293  -4.215
  106    HA   LYS  11           HA       LYS  11  10.659   4.809  -4.983
  107   1HB   LYS  11          2HB       LYS  11  10.043   3.412  -2.556
  108   2HB   LYS  11          1HB       LYS  11  10.894   4.902  -2.147
  109   1HG   LYS  11          2HG       LYS  11   9.225   5.860  -4.038
  110   2HG   LYS  11          1HG       LYS  11   8.236   4.535  -3.424
  111   1HD   LYS  11          2HD       LYS  11   7.695   6.457  -2.094
  112   2HD   LYS  11          1HD       LYS  11   8.706   5.420  -1.087
  113   1HE   LYS  11          2HE       LYS  11  10.634   6.798  -1.427
  114   2HE   LYS  11          1HE       LYS  11   9.849   7.687  -2.746
  115   1HZ   LYS  11          1HZ       LYS  11   8.532   7.564  -0.123
  116   2HZ   LYS  11          3HZ       LYS  11   9.820   8.647  -0.333
  117   3HZ   LYS  11          2HZ       LYS  11   8.441   8.768  -1.317
  118    H    LYS  12           H        LYS  12  11.859   6.303  -2.863
  119    HA   LYS  12           HA       LYS  12  14.392   6.940  -3.898
  120   1HB   LYS  12          2HB       LYS  12  13.637   7.142  -0.978
  121   2HB   LYS  12          1HB       LYS  12  14.652   8.237  -1.910
  122   1HG   LYS  12          2HG       LYS  12  12.180   8.110  -3.277
  123   2HG   LYS  12          1HG       LYS  12  11.790   8.299  -1.567
  124   1HD   LYS  12          2HD       LYS  12  12.901  10.341  -1.399
  125   2HD   LYS  12          1HD       LYS  12  13.948   9.999  -2.777
  126   1HE   LYS  12          2HE       LYS  12  12.485  10.972  -4.210
  127   2HE   LYS  12          1HE       LYS  12  11.137  10.017  -3.561
  128   1HZ   LYS  12          2HZ       LYS  12  12.334  12.398  -2.243
  129   2HZ   LYS  12          1HZ       LYS  12  10.867  12.398  -3.101
  130   3HZ   LYS  12          3HZ       LYS  12  11.013  11.495  -1.673
  131    H    LEU  13           H        LEU  13  16.240   6.863  -1.870
  132    HA   LEU  13           HA       LEU  13  17.333   4.221  -2.118
  133   1HB   LEU  13          2HB       LEU  13  19.155   5.207  -0.800
  134   2HB   LEU  13          1HB       LEU  13  18.611   6.345  -2.035
  135    HG   LEU  13           HG       LEU  13  16.977   6.773   0.244
  136   1HD1  LEU  13          3HD1      LEU  13  18.934   5.549   1.390
  137   2HD1  LEU  13          2HD1      LEU  13  19.902   6.966   0.980
  138   3HD1  LEU  13          1HD1      LEU  13  18.498   7.132   2.034
  139   1HD2  LEU  13          2HD2      LEU  13  19.123   8.241  -1.258
  140   2HD2  LEU  13          1HD2      LEU  13  17.408   8.625  -1.102
  141   3HD2  LEU  13          3HD2      LEU  13  18.507   8.932   0.242
  142    H    GLY  14           H        GLY  14  17.304   2.534  -0.665
  143   1HA   GLY  14          2HA       GLY  14  16.467   1.248   1.122
  144   2HA   GLY  14          1HA       GLY  14  17.142   2.554   2.088
  145    H    ALA  15           H        ALA  15  14.342   2.521  -0.119
  146    HA   ALA  15           HA       ALA  15  12.458   2.737   2.118
  147   1HB   ALA  15          1HB       ALA  15  13.790   5.016   1.361
  148   2HB   ALA  15          3HB       ALA  15  12.326   5.116   0.383
  149   3HB   ALA  15          2HB       ALA  15  12.207   4.998   2.139
  150    HA   PRO  16           HA       PRO  16  10.500   1.071  -1.621
  151   1HB   PRO  16          2HB       PRO  16   8.898  -0.691  -0.257
  152   2HB   PRO  16          1HB       PRO  16  10.590  -1.037  -0.675
  153   1HG   PRO  16          2HG       PRO  16   9.414  -0.198   1.917
  154   2HG   PRO  16          1HG       PRO  16  10.762  -1.295   1.589
  155   1HD   PRO  16          2HD       PRO  16  11.031   1.325   2.419
  156   2HD   PRO  16          1HD       PRO  16  12.286   0.392   1.575
  157    H    SER  17           H        SER  17   7.967   0.772  -1.963
  158    HA   SER  17           HA       SER  17   6.453   2.808  -0.370
  159   1HB   SER  17          2HB       SER  17   7.370   2.908  -3.126
  160   2HB   SER  17          1HB       SER  17   5.613   3.004  -3.050
  161    HG   SER  17           HG       SER  17   7.075   4.501  -1.209
  162    H    ILE  18           H        ILE  18   5.123   1.194   0.605
  163    HA   ILE  18           HA       ILE  18   3.947  -0.970  -0.937
  164    HB   ILE  18           HB       ILE  18   4.466  -0.442   1.696
  165   1HG1  ILE  18          2HG1      ILE  18   2.355  -2.375   0.712
  166   2HG1  ILE  18          1HG1      ILE  18   4.088  -2.640   0.554
  167   1HG2  ILE  18          2HG2      ILE  18   1.470  -0.161   1.338
  168   2HG2  ILE  18          1HG2      ILE  18   2.295  -0.386   2.879
  169   3HG2  ILE  18          3HG2      ILE  18   2.564   1.084   1.944
  170   1HD1  ILE  18          3HD1      ILE  18   3.812  -1.969   3.223
  171   2HD1  ILE  18          2HD1      ILE  18   2.367  -2.929   2.908
  172   3HD1  ILE  18          1HD1      ILE  18   3.963  -3.610   2.595
  173    H    THR  19           H        THR  19   2.416  -0.587  -2.445
  174    HA   THR  19           HA       THR  19   0.433   1.610  -1.965
  175    HB   THR  19           HB       THR  19   1.211   0.222  -4.548
  176    HG1  THR  19           HG1      THR  19   2.280   2.474  -4.675
  177   1HG2  THR  19          2HG2      THR  19  -0.449   2.603  -3.796
  178   2HG2  THR  19          1HG2      THR  19   0.388   2.590  -5.349
  179   3HG2  THR  19          3HG2      THR  19  -0.790   1.332  -4.971
  180    H    CYS  20           H        CYS  20  -1.751   1.042  -3.123
  181    HA   CYS  20           HA       CYS  20  -2.710  -1.482  -1.998
  182   1HB   CYS  20          2HB       CYS  20  -4.012   0.605  -1.957
  183   2HB   CYS  20          1HB       CYS  20  -3.996   0.664  -3.719
  184    H    VAL  21           H        VAL  21  -2.488  -3.397  -3.111
  185    HA   VAL  21           HA       VAL  21  -2.400  -3.272  -6.091
  186    HB   VAL  21           HB       VAL  21  -0.927  -5.101  -6.004
  187   1HG1  VAL  21          1HG1      VAL  21  -0.565  -3.638  -3.375
  188   2HG1  VAL  21          3HG1      VAL  21   0.625  -4.737  -4.068
  189   3HG1  VAL  21          2HG1      VAL  21   0.200  -3.251  -4.916
  190   1HG2  VAL  21          2HG2      VAL  21  -2.298  -5.743  -3.390
  191   2HG2  VAL  21          1HG2      VAL  21  -2.203  -6.730  -4.850
  192   3HG2  VAL  21          3HG2      VAL  21  -0.773  -6.507  -3.842
  193    H    ARG  22           H        ARG  22  -4.773  -3.286  -4.340
  194    HA   ARG  22           HA       ARG  22  -6.310  -5.324  -5.785
  195   1HB   ARG  22          2HB       ARG  22  -5.182  -5.780  -3.149
  196   2HB   ARG  22          1HB       ARG  22  -6.943  -5.866  -3.093
  197   1HG   ARG  22          2HG       ARG  22  -5.981  -7.209  -5.459
  198   2HG   ARG  22          1HG       ARG  22  -5.163  -7.852  -4.035
  199   1HD   ARG  22          2HD       ARG  22  -7.086  -9.160  -3.993
  200   2HD   ARG  22          1HD       ARG  22  -7.668  -7.772  -3.053
  201    HE   ARG  22           HE       ARG  22  -8.602  -6.858  -5.188
  202   1HH1  ARG  22          1HH2      ARG  22  -7.035  -8.767  -6.973
  203   2HH1  ARG  22          2HH2      ARG  22  -8.277  -9.874  -7.452
  204   1HH2  ARG  22          2HH1      ARG  22 -10.483  -8.888  -4.965
  205   2HH2  ARG  22          1HH1      ARG  22 -10.229  -9.943  -6.315
  206    H    ARG  23           H        ARG  23  -8.379  -4.511  -6.060
  207    HA   ARG  23           HA       ARG  23  -9.160  -2.176  -4.376
  208   1HB   ARG  23          2HB       ARG  23 -10.102  -3.177  -7.086
  209   2HB   ARG  23          1HB       ARG  23 -10.591  -1.667  -6.326
  210   1HG   ARG  23          2HG       ARG  23  -8.149  -1.014  -6.253
  211   2HG   ARG  23          1HG       ARG  23  -7.816  -2.431  -7.249
  212   1HD   ARG  23          2HD       ARG  23  -8.331  -1.209  -9.085
  213   2HD   ARG  23          1HD       ARG  23  -9.988  -1.038  -8.472
  214    HE   ARG  23           HE       ARG  23  -7.806   0.923  -8.110
  215   1HH1  ARG  23          1HH2      ARG  23  -8.499   1.636  -5.703
  216   2HH1  ARG  23          2HH2      ARG  23 -10.089   2.322  -5.714
  217   1HH2  ARG  23          2HH1      ARG  23 -10.922   1.008  -8.814
  218   2HH2  ARG  23          1HH1      ARG  23 -11.461   1.967  -7.475
  219    H    ALA  24           H        ALA  24  -9.560  -4.498  -3.026
  220    HA   ALA  24           HA       ALA  24 -12.127  -5.756  -3.579
  221   1HB   ALA  24          1HB       ALA  24  -9.866  -6.333  -2.140
  222   2HB   ALA  24          3HB       ALA  24 -10.981  -5.863  -0.856
  223   3HB   ALA  24          2HB       ALA  24 -11.400  -7.182  -1.949
  224    H    PHE  25           HN       PHE  25 -14.062  -4.767  -3.175
  225    HA   PHE  25           HA       PHE  25 -14.602  -2.320  -2.054
  226   1HB   PHE  25          2HB       PHE  25 -16.032  -4.926  -2.274
  227   2HB   PHE  25          1HB       PHE  25 -16.774  -3.699  -1.248
  228    HD1  PHE  25           HD2      PHE  25 -16.875  -1.269  -2.279
  229    HD2  PHE  25           HD1      PHE  25 -16.444  -4.874  -4.574
  230    HE1  PHE  25           HE2      PHE  25 -17.712  -0.087  -4.292
  231    HE2  PHE  25           HE1      PHE  25 -17.282  -3.692  -6.587
  232    HZ   PHE  25           HZ       PHE  25 -17.916  -1.299  -6.446
   
  No H/Q in entry =         232
  Start of MODEL    2
    1   1H    PHE   1          2H        PHE   1  -8.139   2.965   2.330
    2   2H    PHE   1          1H        PHE   1  -8.678   4.334   1.482
    3   3H    PHE   1          3H        PHE   1  -9.746   3.490   2.493
    4    HA   PHE   1           HA       PHE   1 -10.372   2.714   0.414
    5   1HB   PHE   1          2HB       PHE   1  -8.470   3.998  -0.603
    6   2HB   PHE   1          1HB       PHE   1  -7.401   2.652  -0.208
    7    HD1  PHE   1           HD1      PHE   1 -10.510   3.528  -2.084
    8    HD2  PHE   1           HD2      PHE   1  -7.252   0.765  -1.623
    9    HE1  PHE   1           HE1      PHE   1 -11.202   2.365  -4.162
   10    HE2  PHE   1           HE2      PHE   1  -7.945  -0.397  -3.701
   11    HZ   PHE   1           HZ       PHE   1  -9.919   0.403  -4.971
   12    H    LYS   2           H        LYS   2 -10.759   0.507   0.025
   13    HA   LYS   2           HA       LYS   2  -9.612  -1.391   1.935
   14   1HB   LYS   2          2HB       LYS   2 -11.984  -1.058   0.550
   15   2HB   LYS   2          1HB       LYS   2 -11.232  -2.411  -0.296
   16   1HG   LYS   2          2HG       LYS   2 -11.786  -3.788   1.391
   17   2HG   LYS   2          1HG       LYS   2 -10.855  -2.797   2.514
   18   1HD   LYS   2          2HD       LYS   2 -13.600  -1.917   1.656
   19   2HD   LYS   2          1HD       LYS   2 -13.416  -3.115   2.938
   20   1HE   LYS   2          2HE       LYS   2 -11.678  -1.378   3.914
   21   2HE   LYS   2          1HE       LYS   2 -12.593  -0.225   2.921
   22   1HZ   LYS   2          2HZ       LYS   2 -14.638  -1.373   3.897
   23   2HZ   LYS   2          1HZ       LYS   2 -13.584  -1.983   5.082
   24   3HZ   LYS   2          3HZ       LYS   2 -13.785  -0.307   4.908
   25    H    CYS   3           H        CYS   3  -8.566  -3.421   1.230
   26    HA   CYS   3           HA       CYS   3  -7.525  -3.631  -1.506
   27   1HB   CYS   3          2HB       CYS   3  -6.209  -1.918   0.124
   28   2HB   CYS   3          1HB       CYS   3  -5.383  -3.418   0.538
   29    H    ARG   4           H        ARG   4  -5.284  -5.211  -0.847
   30    HA   ARG   4           HA       ARG   4  -6.248  -7.377   0.926
   31   1HB   ARG   4          2HB       ARG   4  -7.392  -7.984  -1.044
   32   2HB   ARG   4          1HB       ARG   4  -6.053  -7.489  -2.076
   33   1HG   ARG   4          2HG       ARG   4  -5.305  -9.569  -0.149
   34   2HG   ARG   4          1HG       ARG   4  -6.565 -10.084  -1.272
   35   1HD   ARG   4          2HD       ARG   4  -4.848  -8.778  -2.970
   36   2HD   ARG   4          1HD       ARG   4  -3.721  -9.494  -1.801
   37    HE   ARG   4           HE       ARG   4  -5.858 -11.293  -2.726
   38   1HH1  ARG   4          2HH1      ARG   4  -3.075 -12.012  -1.654
   39   2HH1  ARG   4          1HH1      ARG   4  -2.312 -12.592  -3.098
   40   1HH2  ARG   4          1HH2      ARG   4  -4.693 -11.230  -5.221
   41   2HH2  ARG   4          2HH2      ARG   4  -3.228 -12.149  -5.117
   42    H    ARG   5           H        ARG   5  -3.705  -6.119  -1.218
   43    HA   ARG   5           HA       ARG   5  -1.695  -7.399   0.552
   44   1HB   ARG   5          2HB       ARG   5  -2.055  -9.120  -1.043
   45   2HB   ARG   5          1HB       ARG   5  -2.133  -7.970  -2.378
   46   1HG   ARG   5          2HG       ARG   5   0.154  -7.741  -2.498
   47   2HG   ARG   5          1HG       ARG   5   0.377  -8.018  -0.770
   48   1HD   ARG   5          2HD       ARG   5  -0.700 -10.425  -1.828
   49   2HD   ARG   5          1HD       ARG   5   0.610  -9.924  -2.915
   50    HE   ARG   5           HE       ARG   5   0.920 -10.678  -0.100
   51   1HH1  ARG   5          2HH1      ARG   5   2.049  -8.492  -2.489
   52   2HH1  ARG   5          1HH1      ARG   5   3.717  -8.652  -2.050
   53   1HH2  ARG   5          1HH2      ARG   5   3.126 -11.081   0.353
   54   2HH2  ARG   5          2HH2      ARG   5   4.327 -10.117  -0.441
   55    H    TRP   6           H        TRP   6  -1.089  -5.192   1.087
   56    HA   TRP   6           HA       TRP   6  -0.365  -3.231  -0.873
   57   1HB   TRP   6          2HB       TRP   6   0.334  -3.700   2.038
   58   2HB   TRP   6          1HB       TRP   6   0.725  -2.217   1.166
   59    HD1  TRP   6           HD1      TRP   6  -2.236  -4.231   2.416
   60    HE1  TRP   6           HE1      TRP   6  -4.317  -2.708   2.387
   61    HE3  TRP   6           HE3      TRP   6  -0.266  -0.192   0.118
   62    HZ2  TRP   6           HZ2      TRP   6  -5.039  -0.066   1.499
   63    HZ3  TRP   6           HZ3      TRP   6  -1.641   1.840  -0.324
   64    HH2  TRP   6           HH2      TRP   6  -4.026   1.902   0.365
   65    H    GLN   7           H        GLN   7   1.152  -4.084  -2.391
   66    HA   GLN   7           HA       GLN   7   3.537  -5.530  -1.453
   67   1HB   GLN   7          2HB       GLN   7   2.566  -6.293  -3.475
   68   2HB   GLN   7          1HB       GLN   7   2.382  -4.655  -4.102
   69   1HG   GLN   7          2HG       GLN   7   4.795  -4.424  -4.338
   70   2HG   GLN   7          1HG       GLN   7   5.050  -5.997  -3.582
   71   1HE2  GLN   7          2HE2      GLN   7   4.066  -5.792  -7.518
   72   2HE2  GLN   7          1HE2      GLN   7   4.206  -4.388  -6.574
   73    H    TRP   8           H        TRP   8   5.058  -4.205  -0.463
   74    HA   TRP   8           HA       TRP   8   5.528  -1.491  -0.707
   75   1HB   TRP   8          2HB       TRP   8   7.218  -3.905  -0.212
   76   2HB   TRP   8          1HB       TRP   8   8.012  -2.336  -0.353
   77    HD1  TRP   8           HD1      TRP   8   6.138  -4.439   2.011
   78    HE1  TRP   8           HE1      TRP   8   5.576  -3.133   4.151
   79    HE3  TRP   8           HE3      TRP   8   7.275   0.247   0.470
   80    HZ2  TRP   8           HZ2      TRP   8   5.614  -0.429   5.095
   81    HZ3  TRP   8           HZ3      TRP   8   7.013   2.190   1.990
   82    HH2  TRP   8           HH2      TRP   8   6.180   1.856   4.304
   83    H    ARG   9           H        ARG   9   5.438  -0.533  -2.769
   84    HA   ARG   9           HA       ARG   9   6.787  -1.708  -5.081
   85   1HB   ARG   9          2HB       ARG   9   5.262   0.807  -4.419
   86   2HB   ARG   9          1HB       ARG   9   6.110   0.670  -5.961
   87   1HG   ARG   9          2HG       ARG   9   4.457  -1.669  -5.196
   88   2HG   ARG   9          1HG       ARG   9   3.566  -0.197  -5.581
   89   1HD   ARG   9          2HD       ARG   9   5.741  -1.306  -7.382
   90   2HD   ARG   9          1HD       ARG   9   4.022  -1.699  -7.584
   91    HE   ARG   9           HE       ARG   9   4.368   1.148  -7.310
   92   1HH1  ARG   9          1HH2      ARG   9   6.303  -0.288  -9.418
   93   2HH1  ARG   9          2HH2      ARG   9   5.455   0.133 -10.868
   94   1HH2  ARG   9          2HH1      ARG   9   2.597   1.180  -9.208
   95   2HH2  ARG   9          1HH1      ARG   9   3.357   0.964 -10.749
   96    H    MET  10           H        MET  10   8.116   0.294  -6.320
   97    HA   MET  10           HA       MET  10  10.549   0.553  -4.719
   98   1HB   MET  10          2HB       MET  10  10.061   1.933  -7.338
   99   2HB   MET  10          1HB       MET  10  11.523   1.150  -6.756
  100   1HG   MET  10          2HG       MET  10  10.034  -1.026  -6.821
  101   2HG   MET  10          1HG       MET  10   9.076  -0.089  -7.968
  102   1HE   MET  10          1HE       MET  10  11.915  -1.800  -6.879
  103   2HE   MET  10          3HE       MET  10  12.632  -2.472  -8.350
  104   3HE   MET  10          2HE       MET  10  13.295  -1.007  -7.633
  105    H    LYS  11           H        LYS  11  11.522   2.550  -4.132
  106    HA   LYS  11           HA       LYS  11  10.075   5.094  -4.451
  107   1HB   LYS  11          2HB       LYS  11   9.673   3.336  -2.205
  108   2HB   LYS  11          1HB       LYS  11  10.457   4.817  -1.656
  109   1HG   LYS  11          2HG       LYS  11   8.067   4.890  -3.497
  110   2HG   LYS  11          1HG       LYS  11   7.884   4.826  -1.743
  111   1HD   LYS  11          2HD       LYS  11   7.896   7.128  -2.118
  112   2HD   LYS  11          1HD       LYS  11   9.600   6.821  -1.778
  113   1HE   LYS  11          2HE       LYS  11  10.194   6.924  -4.080
  114   2HE   LYS  11          1HE       LYS  11   8.505   6.762  -4.603
  115   1HZ   LYS  11          3HZ       LYS  11   9.569   9.011  -2.977
  116   2HZ   LYS  11          2HZ       LYS  11   9.278   9.085  -4.650
  117   3HZ   LYS  11          1HZ       LYS  11   7.987   8.859  -3.568
  118    H    LYS  12           H        LYS  12  11.353   6.351  -2.243
  119    HA   LYS  12           HA       LYS  12  13.864   7.092  -3.310
  120   1HB   LYS  12          2HB       LYS  12  13.233   7.044  -0.356
  121   2HB   LYS  12          1HB       LYS  12  14.171   8.236  -1.248
  122   1HG   LYS  12          2HG       LYS  12  11.763   8.357  -2.555
  123   2HG   LYS  12          1HG       LYS  12  11.252   8.036  -0.897
  124   1HD   LYS  12          2HD       LYS  12  13.189   9.920  -0.490
  125   2HD   LYS  12          1HD       LYS  12  12.528  10.442  -2.040
  126   1HE   LYS  12          2HE       LYS  12  10.632  11.204  -1.053
  127   2HE   LYS  12          1HE       LYS  12  10.413   9.680  -0.171
  128   1HZ   LYS  12          1HZ       LYS  12  12.420  10.498   1.188
  129   2HZ   LYS  12          3HZ       LYS  12  12.029  12.032   0.581
  130   3HZ   LYS  12          2HZ       LYS  12  10.896  11.175   1.514
  131    H    LEU  13           H        LEU  13  15.800   6.782  -1.392
  132    HA   LEU  13           HA       LEU  13  16.627   4.043  -1.824
  133   1HB   LEU  13          2HB       LEU  13  17.749   6.618  -1.017
  134   2HB   LEU  13          1HB       LEU  13  18.478   5.246  -0.173
  135    HG   LEU  13           HG       LEU  13  18.092   4.512  -2.894
  136   1HD1  LEU  13          1HD1      LEU  13  18.110   7.055  -3.176
  137   2HD1  LEU  13          3HD1      LEU  13  19.782   7.010  -2.614
  138   3HD1  LEU  13          2HD1      LEU  13  19.328   6.173  -4.099
  139   1HD2  LEU  13          1HD2      LEU  13  20.400   4.949  -1.015
  140   2HD2  LEU  13          3HD2      LEU  13  19.821   3.446  -1.732
  141   3HD2  LEU  13          2HD2      LEU  13  20.721   4.601  -2.713
  142    H    GLY  14           H        GLY  14  16.951   2.453  -0.245
  143   1HA   GLY  14          2HA       GLY  14  16.403   1.265   1.701
  144   2HA   GLY  14          1HA       GLY  14  16.855   2.749   2.544
  145    H    ALA  15           H        ALA  15  14.291   2.998   0.234
  146    HA   ALA  15           HA       ALA  15  12.229   2.671   2.368
  147   1HB   ALA  15          3HB       ALA  15  13.164   5.180   1.053
  148   2HB   ALA  15          2HB       ALA  15  11.438   5.029   1.382
  149   3HB   ALA  15          1HB       ALA  15  12.600   4.922   2.704
  150    HA   PRO  16           HA       PRO  16  10.359   1.232  -1.467
  151   1HB   PRO  16          2HB       PRO  16   8.749  -0.629  -0.250
  152   2HB   PRO  16          1HB       PRO  16  10.465  -0.913  -0.609
  153   1HG   PRO  16          2HG       PRO  16   9.150  -0.386   1.964
  154   2HG   PRO  16          1HG       PRO  16  10.673  -1.213   1.621
  155   1HD   PRO  16          2HD       PRO  16  10.328   1.448   2.553
  156   2HD   PRO  16          1HD       PRO  16  11.843   0.657   2.074
  157    H    SER  17           H        SER  17   7.798   0.813  -1.851
  158    HA   SER  17           HA       SER  17   6.229   2.833  -0.288
  159   1HB   SER  17          2HB       SER  17   7.266   3.180  -2.851
  160   2HB   SER  17          1HB       SER  17   5.598   2.699  -3.144
  161    HG   SER  17           HG       SER  17   4.894   4.445  -2.089
  162    H    ILE  18           H        ILE  18   4.975   1.162   0.736
  163    HA   ILE  18           HA       ILE  18   3.800  -1.006  -0.811
  164    HB   ILE  18           HB       ILE  18   4.381  -0.512   1.824
  165   1HG1  ILE  18          2HG1      ILE  18   2.334  -2.501   0.809
  166   2HG1  ILE  18          1HG1      ILE  18   4.077  -2.700   0.670
  167   1HG2  ILE  18          1HG2      ILE  18   2.368   0.946   2.040
  168   2HG2  ILE  18          3HG2      ILE  18   1.362  -0.438   1.608
  169   3HG2  ILE  18          2HG2      ILE  18   2.313  -0.466   3.093
  170   1HD1  ILE  18          1HD1      ILE  18   3.754  -2.091   3.345
  171   2HD1  ILE  18          3HD1      ILE  18   2.337  -3.082   2.999
  172   3HD1  ILE  18          2HD1      ILE  18   3.952  -3.717   2.689
  173    H    THR  19           H        THR  19   2.252  -0.581  -2.285
  174    HA   THR  19           HA       THR  19   0.249   1.567  -1.699
  175    HB   THR  19           HB       THR  19   0.922   0.264  -4.349
  176    HG1  THR  19           HG1      THR  19   2.672   1.403  -4.414
  177   1HG2  THR  19          1HG2      THR  19  -0.560   2.700  -3.427
  178   2HG2  THR  19          3HG2      THR  19   0.237   2.725  -5.000
  179   3HG2  THR  19          2HG2      THR  19  -1.007   1.520  -4.660
  180    H    CYS  20           H        CYS  20  -1.950   1.025  -2.805
  181    HA   CYS  20           HA       CYS  20  -2.868  -1.554  -1.773
  182   1HB   CYS  20          2HB       CYS  20  -4.179   0.522  -1.604
  183   2HB   CYS  20          1HB       CYS  20  -4.203   0.665  -3.361
  184    H    VAL  21           H        VAL  21  -2.499  -3.389  -2.998
  185    HA   VAL  21           HA       VAL  21  -2.506  -3.115  -5.961
  186    HB   VAL  21           HB       VAL  21  -1.044  -4.960  -5.976
  187   1HG1  VAL  21          2HG1      VAL  21  -0.652  -3.627  -3.282
  188   2HG1  VAL  21          1HG1      VAL  21   0.535  -4.675  -4.058
  189   3HG1  VAL  21          3HG1      VAL  21   0.082  -3.148  -4.812
  190   1HG2  VAL  21          1HG2      VAL  21  -2.324  -5.703  -3.336
  191   2HG2  VAL  21          3HG2      VAL  21  -2.376  -6.601  -4.853
  192   3HG2  VAL  21          2HG2      VAL  21  -0.870  -6.494  -3.942
  193    H    ARG  22           H        ARG  22  -4.888  -3.223  -4.226
  194    HA   ARG  22           HA       ARG  22  -6.410  -5.188  -5.784
  195   1HB   ARG  22          2HB       ARG  22  -5.155  -6.066  -3.495
  196   2HB   ARG  22          1HB       ARG  22  -6.756  -5.636  -2.892
  197   1HG   ARG  22          2HG       ARG  22  -6.807  -7.091  -5.449
  198   2HG   ARG  22          1HG       ARG  22  -6.130  -8.023  -4.112
  199   1HD   ARG  22          2HD       ARG  22  -8.154  -7.430  -2.742
  200   2HD   ARG  22          1HD       ARG  22  -8.850  -6.672  -4.188
  201    HE   ARG  22           HE       ARG  22  -8.077  -9.564  -4.060
  202   1HH1  ARG  22          1HH2      ARG  22  -8.391  -9.181  -6.774
  203   2HH1  ARG  22          2HH2      ARG  22 -10.095  -9.175  -7.086
  204   1HH2  ARG  22          2HH1      ARG  22 -10.965  -8.587  -3.780
  205   2HH2  ARG  22          1HH1      ARG  22 -11.552  -8.839  -5.391
  206    H    ARG  23           H        ARG  23  -8.541  -4.475  -5.944
  207    HA   ARG  23           HA       ARG  23  -9.310  -2.169  -4.213
  208   1HB   ARG  23          2HB       ARG  23 -10.316  -3.140  -6.909
  209   2HB   ARG  23          1HB       ARG  23 -10.794  -1.646  -6.114
  210   1HG   ARG  23          2HG       ARG  23  -8.355  -0.974  -6.107
  211   2HG   ARG  23          1HG       ARG  23  -8.044  -2.372  -7.136
  212   1HD   ARG  23          2HD       ARG  23  -9.692  -1.482  -8.794
  213   2HD   ARG  23          1HD       ARG  23  -9.875  -0.034  -7.784
  214    HE   ARG  23           HE       ARG  23  -7.323  -0.864  -9.105
  215   1HH1  ARG  23          2HH1      ARG  23  -6.794   0.754  -6.704
  216   2HH1  ARG  23          1HH1      ARG  23  -6.847   2.377  -7.304
  217   1HH2  ARG  23          1HH2      ARG  23  -8.493   1.521 -10.234
  218   2HH2  ARG  23          2HH2      ARG  23  -7.809   2.813  -9.303
  219    H    ALA  24           H        ALA  24  -9.632  -4.521  -2.893
  220    HA   ALA  24           HA       ALA  24 -12.208  -5.793  -3.403
  221   1HB   ALA  24          1HB       ALA  24 -10.085  -6.743  -2.313
  222   2HB   ALA  24          3HB       ALA  24 -10.547  -5.837  -0.873
  223   3HB   ALA  24          2HB       ALA  24 -11.604  -7.104  -1.495
  224    H    PHE  25           HN       PHE  25 -13.689  -3.954  -3.344
  225    HA   PHE  25           HA       PHE  25 -14.010  -1.942  -1.504
  226   1HB   PHE  25          2HB       PHE  25 -16.388  -2.101  -2.028
  227   2HB   PHE  25          1HB       PHE  25 -15.459  -2.520  -3.467
  228    HD1  PHE  25           HD1      PHE  25 -15.112  -4.943  -4.062
  229    HD2  PHE  25           HD2      PHE  25 -17.816  -3.694  -0.968
  230    HE1  PHE  25           HE1      PHE  25 -16.222  -7.159  -4.138
  231    HE2  PHE  25           HE2      PHE  25 -18.925  -5.910  -1.042
  232    HZ   PHE  25           HZ       PHE  25 -18.129  -7.643  -2.627
   
  No H/Q in entry =         232
  Start of MODEL    3
    1   1H    PHE   1          3H        PHE   1  -7.980   2.844  -1.227
    2   2H    PHE   1          2H        PHE   1  -8.972   4.220  -1.328
    3   3H    PHE   1          1H        PHE   1  -8.148   3.868   0.115
    4    HA   PHE   1           HA       PHE   1 -10.423   3.236   0.425
    5   1HB   PHE   1          2HB       PHE   1 -11.414   1.667  -1.255
    6   2HB   PHE   1          1HB       PHE   1 -10.942   3.209  -1.968
    7    HD1  PHE   1           HD2      PHE   1 -10.037  -0.361  -1.614
    8    HD2  PHE   1           HD1      PHE   1  -9.105   3.369  -3.531
    9    HE1  PHE   1           HE2      PHE   1  -8.541  -1.548  -3.197
   10    HE2  PHE   1           HE1      PHE   1  -7.610   2.182  -5.114
   11    HZ   PHE   1           HZ       PHE   1  -7.327  -0.276  -4.947
   12    H    LYS   2           H        LYS   2 -11.051   0.459   0.154
   13    HA   LYS   2           HA       LYS   2  -9.110  -0.676   2.058
   14   1HB   LYS   2          2HB       LYS   2 -11.872  -1.122   1.115
   15   2HB   LYS   2          1HB       LYS   2 -10.997  -2.598   1.523
   16   1HG   LYS   2          2HG       LYS   2 -10.735  -0.334   3.433
   17   2HG   LYS   2          1HG       LYS   2 -12.306  -1.135   3.370
   18   1HD   LYS   2          2HD       LYS   2 -10.458  -3.232   3.337
   19   2HD   LYS   2          1HD       LYS   2  -9.802  -2.088   4.508
   20   1HE   LYS   2          2HE       LYS   2 -11.271  -3.045   5.972
   21   2HE   LYS   2          1HE       LYS   2 -12.512  -2.105   5.119
   22   1HZ   LYS   2          2HZ       LYS   2 -12.423  -4.010   3.427
   23   2HZ   LYS   2          1HZ       LYS   2 -11.684  -4.904   4.668
   24   3HZ   LYS   2          3HZ       LYS   2 -13.247  -4.284   4.887
   25    H    CYS   3           H        CYS   3  -7.292  -1.607   1.181
   26    HA   CYS   3           HA       CYS   3  -7.432  -2.901  -1.494
   27   1HB   CYS   3          2HB       CYS   3  -5.641  -1.237  -0.375
   28   2HB   CYS   3          1HB       CYS   3  -4.948  -2.773   0.140
   29    H    ARG   4           H        ARG   4  -5.311  -4.705  -1.060
   30    HA   ARG   4           HA       ARG   4  -6.144  -6.553   1.087
   31   1HB   ARG   4          2HB       ARG   4  -7.738  -7.263  -0.445
   32   2HB   ARG   4          1HB       ARG   4  -6.743  -6.834  -1.832
   33   1HG   ARG   4          2HG       ARG   4  -5.889  -9.059   0.006
   34   2HG   ARG   4          1HG       ARG   4  -7.078  -9.360  -1.263
   35   1HD   ARG   4          2HD       ARG   4  -5.227  -8.012  -2.712
   36   2HD   ARG   4          1HD       ARG   4  -4.173  -8.777  -1.505
   37    HE   ARG   4           HE       ARG   4  -5.797 -10.194  -3.509
   38   1HH1  ARG   4          2HH1      ARG   4  -4.533 -10.347  -0.320
   39   2HH1  ARG   4          1HH1      ARG   4  -4.110 -12.024  -0.418
   40   1HH2  ARG   4          1HH2      ARG   4  -5.065 -12.343  -3.736
   41   2HH2  ARG   4          2HH2      ARG   4  -4.411 -13.154  -2.352
   42    H    ARG   5           H        ARG   5  -3.991  -5.844  -1.651
   43    HA   ARG   5           HA       ARG   5  -1.889  -7.482  -0.276
   44   1HB   ARG   5          2HB       ARG   5  -3.175  -7.854  -2.838
   45   2HB   ARG   5          1HB       ARG   5  -1.445  -7.592  -3.060
   46   1HG   ARG   5          2HG       ARG   5  -2.522  -9.531  -1.007
   47   2HG   ARG   5          1HG       ARG   5  -2.185 -10.017  -2.670
   48   1HD   ARG   5          2HD       ARG   5   0.134  -9.626  -2.445
   49   2HD   ARG   5          1HD       ARG   5  -0.090  -8.589  -1.023
   50    HE   ARG   5           HE       ARG   5  -0.093 -10.551   0.281
   51   1HH1  ARG   5          2HH1      ARG   5   0.199 -11.522  -2.899
   52   2HH1  ARG   5          1HH1      ARG   5  -0.532 -13.078  -2.686
   53   1HH2  ARG   5          1HH2      ARG   5  -1.596 -12.428   0.550
   54   2HH2  ARG   5          2HH2      ARG   5  -1.548 -13.591  -0.733
   55    H    TRP   6           H        TRP   6  -1.257  -5.207   0.483
   56    HA   TRP   6           HA       TRP   6  -0.377  -3.215  -1.367
   57   1HB   TRP   6          2HB       TRP   6   0.279  -3.882   1.511
   58   2HB   TRP   6          1HB       TRP   6   0.804  -2.398   0.715
   59    HD1  TRP   6           HD1      TRP   6  -2.301  -4.187   1.912
   60    HE1  TRP   6           HE1      TRP   6  -4.252  -2.504   1.955
   61    HE3  TRP   6           HE3      TRP   6  -0.044  -0.254  -0.306
   62    HZ2  TRP   6           HZ2      TRP   6  -4.774   0.209   1.145
   63    HZ3  TRP   6           HZ3      TRP   6  -1.258   1.888  -0.675
   64    HH2  TRP   6           HH2      TRP   6  -3.623   2.119   0.049
   65    H    GLN   7           H        GLN   7   1.215  -3.756  -2.878
   66    HA   GLN   7           HA       GLN   7   3.438  -5.555  -2.081
   67   1HB   GLN   7          2HB       GLN   7   2.437  -6.045  -4.182
   68   2HB   GLN   7          1HB       GLN   7   2.405  -4.344  -4.650
   69   1HG   GLN   7          2HG       GLN   7   4.714  -4.283  -5.071
   70   2HG   GLN   7          1HG       GLN   7   5.025  -5.717  -4.092
   71   1HE2  GLN   7          2HE2      GLN   7   4.078  -6.132  -8.014
   72   2HE2  GLN   7          1HE2      GLN   7   4.194  -4.600  -7.291
   73    H    TRP   8           H        TRP   8   5.133  -4.522  -1.070
   74    HA   TRP   8           HA       TRP   8   5.726  -1.788  -1.023
   75   1HB   TRP   8          2HB       TRP   8   7.248  -4.337  -0.674
   76   2HB   TRP   8          1HB       TRP   8   8.132  -2.808  -0.648
   77    HD1  TRP   8           HD1      TRP   8   6.069  -4.990   1.456
   78    HE1  TRP   8           HE1      TRP   8   5.471  -3.839   3.673
   79    HE3  TRP   8           HE3      TRP   8   7.459  -0.262   0.346
   80    HZ2  TRP   8           HZ2      TRP   8   5.579  -1.221   4.834
   81    HZ3  TRP   8           HZ3      TRP   8   7.213   1.568   2.005
   82    HH2  TRP   8           HH2      TRP   8   6.271   1.092   4.250
   83    H    ARG   9           H        ARG   9   5.789  -0.655  -2.975
   84    HA   ARG   9           HA       ARG   9   7.105  -1.726  -5.354
   85   1HB   ARG   9          2HB       ARG   9   5.876   0.913  -4.526
   86   2HB   ARG   9          1HB       ARG   9   6.590   0.672  -6.120
   87   1HG   ARG   9          2HG       ARG   9   5.053  -1.166  -6.578
   88   2HG   ARG   9          1HG       ARG   9   4.386  -1.050  -4.949
   89   1HD   ARG   9          2HD       ARG   9   2.836   0.160  -6.290
   90   2HD   ARG   9          1HD       ARG   9   3.860   1.430  -5.589
   91    HE   ARG   9           HE       ARG   9   5.098   0.516  -7.986
   92   1HH1  ARG   9          2HH1      ARG   9   2.009   1.752  -7.174
   93   2HH1  ARG   9          1HH1      ARG   9   1.968   2.898  -8.471
   94   1HH2  ARG   9          1HH2      ARG   9   5.187   2.194  -9.550
   95   2HH2  ARG   9          2HH2      ARG   9   3.767   3.150  -9.816
   96    H    MET  10           H        MET  10   8.714   0.034  -6.422
   97    HA   MET  10           HA       MET  10  11.050   0.112  -4.677
   98   1HB   MET  10          2HB       MET  10  10.783   1.529  -7.319
   99   2HB   MET  10          1HB       MET  10  12.179   0.688  -6.656
  100   1HG   MET  10          2HG       MET  10  10.266  -1.311  -6.791
  101   2HG   MET  10          1HG       MET  10   9.962  -0.371  -8.252
  102   1HE   MET  10          3HE       MET  10  10.547  -1.417 -10.056
  103   2HE   MET  10          2HE       MET  10  12.003  -2.319 -10.464
  104   3HE   MET  10          1HE       MET  10  10.818  -3.022  -9.366
  105    H    LYS  11           H        LYS  11  12.178   2.080  -4.093
  106    HA   LYS  11           HA       LYS  11  10.801   4.669  -4.408
  107   1HB   LYS  11          2HB       LYS  11   9.551   3.825  -2.569
  108   2HB   LYS  11          1HB       LYS  11  10.981   3.107  -1.826
  109   1HG   LYS  11          2HG       LYS  11  11.890   5.308  -1.330
  110   2HG   LYS  11          1HG       LYS  11  10.564   6.087  -2.193
  111   1HD   LYS  11          2HD       LYS  11   9.016   5.610  -0.531
  112   2HD   LYS  11          1HD       LYS  11   9.903   4.192   0.031
  113   1HE   LYS  11          2HE       LYS  11  11.051   5.424   1.553
  114   2HE   LYS  11          1HE       LYS  11  11.470   6.645   0.335
  115   1HZ   LYS  11          3HZ       LYS  11   8.676   6.485   1.163
  116   2HZ   LYS  11          2HZ       LYS  11   9.766   7.149   2.284
  117   3HZ   LYS  11          1HZ       LYS  11   9.602   7.841   0.741
  118    H    LYS  12           H        LYS  12  12.130   6.414  -3.232
  119    HA   LYS  12           HA       LYS  12  14.927   6.123  -3.897
  120   1HB   LYS  12          2HB       LYS  12  13.737   8.200  -2.060
  121   2HB   LYS  12          1HB       LYS  12  15.050   8.390  -3.218
  122   1HG   LYS  12          2HG       LYS  12  12.883   7.514  -4.759
  123   2HG   LYS  12          1HG       LYS  12  12.187   8.680  -3.635
  124   1HD   LYS  12          2HD       LYS  12  14.687   9.226  -5.254
  125   2HD   LYS  12          1HD       LYS  12  13.069   9.686  -5.785
  126   1HE   LYS  12          2HE       LYS  12  13.023  10.713  -3.273
  127   2HE   LYS  12          1HE       LYS  12  14.753  10.870  -3.642
  128   1HZ   LYS  12          2HZ       LYS  12  14.081  11.798  -5.834
  129   2HZ   LYS  12          1HZ       LYS  12  12.475  11.839  -5.282
  130   3HZ   LYS  12          3HZ       LYS  12  13.657  12.784  -4.517
  131    H    LEU  13           H        LEU  13  16.294   7.248  -1.802
  132    HA   LEU  13           HA       LEU  13  17.009   5.113  -0.144
  133   1HB   LEU  13          2HB       LEU  13  18.174   6.826   1.135
  134   2HB   LEU  13          1HB       LEU  13  18.230   7.263  -0.573
  135    HG   LEU  13           HG       LEU  13  15.828   8.292   0.710
  136   1HD1  LEU  13          1HD1      LEU  13  18.369   8.525   2.152
  137   2HD1  LEU  13          3HD1      LEU  13  17.659  10.091   1.763
  138   3HD1  LEU  13          2HD1      LEU  13  16.734   8.910   2.691
  139   1HD2  LEU  13          3HD2      LEU  13  17.118   8.918  -1.488
  140   2HD2  LEU  13          2HD2      LEU  13  16.360  10.201  -0.543
  141   3HD2  LEU  13          1HD2      LEU  13  18.096   9.920  -0.415
  142    H    GLY  14           H        GLY  14  16.535   4.682   2.116
  143   1HA   GLY  14          2HA       GLY  14  15.256   5.296   4.151
  144   2HA   GLY  14          1HA       GLY  14  13.982   5.890   3.089
  145    H    ALA  15           H        ALA  15  13.069   4.167   1.579
  146    HA   ALA  15           HA       ALA  15  13.312   1.369   2.250
  147   1HB   ALA  15          3HB       ALA  15  12.007   2.913   4.142
  148   2HB   ALA  15          2HB       ALA  15  10.675   2.245   3.198
  149   3HB   ALA  15          1HB       ALA  15  11.840   1.166   3.967
  150    HA   PRO  16           HA       PRO  16  10.720   0.823  -1.258
  151   1HB   PRO  16          2HB       PRO  16   8.928  -1.134  -0.507
  152   2HB   PRO  16          1HB       PRO  16  10.648  -1.450  -0.838
  153   1HG   PRO  16          2HG       PRO  16   9.241  -1.137   1.763
  154   2HG   PRO  16          1HG       PRO  16  10.548  -2.240   1.311
  155   1HD   PRO  16          2HD       PRO  16  10.926   0.042   2.756
  156   2HD   PRO  16          1HD       PRO  16  12.174  -0.688   1.721
  157    H    SER  17           H        SER  17   8.174   0.563  -1.863
  158    HA   SER  17           HA       SER  17   6.598   2.444  -0.141
  159   1HB   SER  17          2HB       SER  17   7.223   2.511  -3.093
  160   2HB   SER  17          1HB       SER  17   5.793   3.318  -2.457
  161    HG   SER  17           HG       SER  17   8.257   3.723  -1.190
  162    H    ILE  18           H        ILE  18   5.205   0.776   0.622
  163    HA   ILE  18           HA       ILE  18   4.037  -1.204  -1.164
  164    HB   ILE  18           HB       ILE  18   4.508  -0.962   1.518
  165   1HG1  ILE  18          2HG1      ILE  18   2.388  -2.742   0.285
  166   2HG1  ILE  18          1HG1      ILE  18   4.122  -3.034   0.183
  167   1HG2  ILE  18          1HG2      ILE  18   1.554  -0.480   1.094
  168   2HG2  ILE  18          3HG2      ILE  18   2.253  -1.040   2.613
  169   3HG2  ILE  18          2HG2      ILE  18   2.686   0.547   1.976
  170   1HD1  ILE  18          2HD1      ILE  18   3.746  -2.609   2.885
  171   2HD1  ILE  18          1HD1      ILE  18   2.283  -3.479   2.425
  172   3HD1  ILE  18          3HD1      ILE  18   3.867  -4.191   2.112
  173    H    THR  19           H        THR  19   2.512  -0.667  -2.635
  174    HA   THR  19           HA       THR  19   0.588   1.537  -1.983
  175    HB   THR  19           HB       THR  19   1.442   0.339  -4.641
  176    HG1  THR  19           HG1      THR  19   2.128   2.879  -3.646
  177   1HG2  THR  19          2HG2      THR  19  -0.340   2.630  -3.840
  178   2HG2  THR  19          1HG2      THR  19   0.471   2.621  -5.406
  179   3HG2  THR  19          3HG2      THR  19  -0.661   1.334  -4.991
  180    H    CYS  20           H        CYS  20  -1.594   1.117  -3.247
  181    HA   CYS  20           HA       CYS  20  -2.663  -1.434  -2.291
  182   1HB   CYS  20          2HB       CYS  20  -3.886   0.705  -2.178
  183   2HB   CYS  20          1HB       CYS  20  -3.828   0.841  -3.936
  184    H    VAL  21           H        VAL  21  -2.837  -3.294  -3.526
  185    HA   VAL  21           HA       VAL  21  -2.637  -2.997  -6.494
  186    HB   VAL  21           HB       VAL  21  -0.974  -4.623  -6.574
  187   1HG1  VAL  21          1HG1      VAL  21  -0.741  -3.565  -3.744
  188   2HG1  VAL  21          3HG1      VAL  21   0.544  -4.415  -4.602
  189   3HG1  VAL  21          2HG1      VAL  21  -0.030  -2.855  -5.194
  190   1HG2  VAL  21          3HG2      VAL  21  -2.396  -5.768  -4.185
  191   2HG2  VAL  21          2HG2      VAL  21  -2.005  -6.540  -5.722
  192   3HG2  VAL  21          1HG2      VAL  21  -0.737  -6.262  -4.529
  193    H    ARG  22           H        ARG  22  -4.915  -3.309  -4.623
  194    HA   ARG  22           HA       ARG  22  -6.362  -5.358  -6.141
  195   1HB   ARG  22          2HB       ARG  22  -4.972  -6.499  -4.309
  196   2HB   ARG  22          1HB       ARG  22  -6.053  -5.718  -3.154
  197   1HG   ARG  22          2HG       ARG  22  -7.469  -7.447  -3.445
  198   2HG   ARG  22          1HG       ARG  22  -7.752  -6.846  -5.080
  199   1HD   ARG  22          2HD       ARG  22  -5.348  -8.578  -4.503
  200   2HD   ARG  22          1HD       ARG  22  -6.934  -9.308  -4.824
  201    HE   ARG  22           HE       ARG  22  -6.449  -7.281  -6.779
  202   1HH1  ARG  22          2HH1      ARG  22  -4.489  -9.854  -5.795
  203   2HH1  ARG  22          1HH1      ARG  22  -4.377 -10.585  -7.361
  204   1HH2  ARG  22          1HH2      ARG  22  -6.693  -8.451  -8.813
  205   2HH2  ARG  22          2HH2      ARG  22  -5.625  -9.791  -9.070
  206    H    ARG  23           H        ARG  23  -8.687  -5.317  -5.614
  207    HA   ARG  23           HA       ARG  23  -9.494  -2.732  -4.349
  208   1HB   ARG  23          2HB       ARG  23 -10.543  -4.540  -6.501
  209   2HB   ARG  23          1HB       ARG  23 -11.683  -3.507  -5.637
  210   1HG   ARG  23          2HG       ARG  23  -9.391  -1.931  -6.263
  211   2HG   ARG  23          1HG       ARG  23  -9.878  -2.780  -7.728
  212   1HD   ARG  23          2HD       ARG  23 -12.233  -1.810  -6.366
  213   2HD   ARG  23          1HD       ARG  23 -11.096  -0.474  -6.634
  214    HE   ARG  23           HE       ARG  23 -11.648  -2.340  -8.888
  215   1HH1  ARG  23          1HH2      ARG  23 -10.133   0.345  -8.969
  216   2HH1  ARG  23          2HH2      ARG  23 -11.317   1.353  -9.732
  217   1HH2  ARG  23          2HH1      ARG  23 -13.932  -0.863  -9.203
  218   2HH2  ARG  23          1HH1      ARG  23 -13.468   0.669  -9.864
  219    H    ALA  24           H        ALA  24 -11.332  -2.771  -2.890
  220    HA   ALA  24           HA       ALA  24 -12.602  -5.216  -2.024
  221   1HB   ALA  24          2HB       ALA  24  -9.980  -4.461  -0.946
  222   2HB   ALA  24          1HB       ALA  24 -11.190  -4.705   0.314
  223   3HB   ALA  24          3HB       ALA  24 -10.835  -6.000  -0.830
  224    H    PHE  25           HN       PHE  25 -14.237  -3.400  -2.391
  225    HA   PHE  25           HA       PHE  25 -14.552  -1.031  -1.037
  226   1HB   PHE  25          2HB       PHE  25 -17.019  -1.659  -1.041
  227   2HB   PHE  25          1HB       PHE  25 -16.195  -1.874  -2.585
  228    HD1  PHE  25           HD2      PHE  25 -17.486  -3.630   0.415
  229    HD2  PHE  25           HD1      PHE  25 -15.850  -4.056  -3.534
  230    HE1  PHE  25           HE2      PHE  25 -18.089  -6.035   0.426
  231    HE2  PHE  25           HE1      PHE  25 -16.454  -6.462  -3.524
  232    HZ   PHE  25           HZ       PHE  25 -17.573  -7.451  -1.544
   
  No H/Q in entry =         232
  Start of MODEL    4
    1   1H    PHE   1          2H        PHE   1  -8.201   2.553   2.696
    2   2H    PHE   1          1H        PHE   1  -8.633   3.931   1.803
    3   3H    PHE   1          3H        PHE   1  -9.768   3.195   2.826
    4    HA   PHE   1           HA       PHE   1 -10.420   2.416   0.751
    5   1HB   PHE   1          2HB       PHE   1  -8.250   3.495  -0.140
    6   2HB   PHE   1          1HB       PHE   1  -7.508   1.915   0.112
    7    HD1  PHE   1           HD1      PHE   1 -10.390   3.601  -1.568
    8    HD2  PHE   1           HD2      PHE   1  -7.775   0.194  -1.477
    9    HE1  PHE   1           HE1      PHE   1 -11.352   2.805  -3.712
   10    HE2  PHE   1           HE2      PHE   1  -8.737  -0.601  -3.621
   11    HZ   PHE   1           HZ       PHE   1 -10.525   0.704  -4.738
   12    H    LYS   2           H        LYS   2 -10.677   0.154   0.083
   13    HA   LYS   2           HA       LYS   2  -9.737  -1.747   2.181
   14   1HB   LYS   2          2HB       LYS   2 -12.104  -1.331   0.496
   15   2HB   LYS   2          1HB       LYS   2 -11.581  -3.016   0.539
   16   1HG   LYS   2          2HG       LYS   2 -13.002  -2.872   2.403
   17   2HG   LYS   2          1HG       LYS   2 -11.403  -2.646   3.115
   18   1HD   LYS   2          2HD       LYS   2 -12.517  -0.125   2.178
   19   2HD   LYS   2          1HD       LYS   2 -13.577  -0.904   3.352
   20   1HE   LYS   2          2HE       LYS   2 -11.024  -1.261   4.431
   21   2HE   LYS   2          1HE       LYS   2 -11.003   0.396   3.794
   22   1HZ   LYS   2          3HZ       LYS   2 -13.380   0.462   4.806
   23   2HZ   LYS   2          2HZ       LYS   2 -12.809  -0.805   5.783
   24   3HZ   LYS   2          1HZ       LYS   2 -12.037   0.708   5.810
   25    H    CYS   3           H        CYS   3  -7.902  -2.857   1.615
   26    HA   CYS   3           HA       CYS   3  -7.600  -3.715  -1.249
   27   1HB   CYS   3          2HB       CYS   3  -6.049  -1.941   0.050
   28   2HB   CYS   3          1HB       CYS   3  -5.245  -3.427   0.547
   29    H    ARG   4           H        ARG   4  -5.354  -5.341  -0.740
   30    HA   ARG   4           HA       ARG   4  -6.266  -7.371   1.235
   31   1HB   ARG   4          2HB       ARG   4  -7.441  -8.099  -0.664
   32   2HB   ARG   4          1HB       ARG   4  -6.147  -7.618  -1.759
   33   1HG   ARG   4          2HG       ARG   4  -5.321  -9.626   0.222
   34   2HG   ARG   4          1HG       ARG   4  -6.582 -10.190  -0.876
   35   1HD   ARG   4          2HD       ARG   4  -4.835  -8.835  -2.569
   36   2HD   ARG   4          1HD       ARG   4  -3.755  -9.669  -1.434
   37    HE   ARG   4           HE       ARG   4  -5.666 -10.976  -3.267
   38   1HH1  ARG   4          2HH1      ARG   4  -4.074 -11.232  -0.245
   39   2HH1  ARG   4          1HH1      ARG   4  -3.692 -12.912  -0.427
   40   1HH2  ARG   4          1HH2      ARG   4  -4.964 -13.125  -3.646
   41   2HH2  ARG   4          2HH2      ARG   4  -4.197 -13.983  -2.352
   42    H    ARG   5           H        ARG   5  -3.755  -6.260  -1.025
   43    HA   ARG   5           HA       ARG   5  -1.717  -7.440   0.787
   44   1HB   ARG   5          2HB       ARG   5  -2.094  -9.251  -0.700
   45   2HB   ARG   5          1HB       ARG   5  -2.211  -8.180  -2.097
   46   1HG   ARG   5          2HG       ARG   5   0.123  -7.745  -2.095
   47   2HG   ARG   5          1HG       ARG   5   0.322  -8.392  -0.466
   48   1HD   ARG   5          2HD       ARG   5  -0.761 -10.223  -2.582
   49   2HD   ARG   5          1HD       ARG   5   0.979  -9.873  -2.572
   50    HE   ARG   5           HE       ARG   5  -0.528 -11.128  -0.327
   51   1HH1  ARG   5          2HH1      ARG   5   1.160 -10.402   1.471
   52   2HH1  ARG   5          1HH1      ARG   5   2.729 -11.063   1.156
   53   1HH2  ARG   5          1HH2      ARG   5   2.033 -11.831  -2.153
   54   2HH2  ARG   5          2HH2      ARG   5   3.224 -11.872  -0.896
   55    H    TRP   6           H        TRP   6  -1.040  -5.251   1.202
   56    HA   TRP   6           HA       TRP   6  -0.378  -3.390  -0.881
   57   1HB   TRP   6          2HB       TRP   6   0.372  -3.681   2.040
   58   2HB   TRP   6          1HB       TRP   6   0.712  -2.242   1.077
   59    HD1  TRP   6           HD1      TRP   6  -2.212  -4.285   2.409
   60    HE1  TRP   6           HE1      TRP   6  -4.313  -2.789   2.371
   61    HE3  TRP   6           HE3      TRP   6  -0.301  -0.250   0.063
   62    HZ2  TRP   6           HZ2      TRP   6  -5.071  -0.164   1.454
   63    HZ3  TRP   6           HZ3      TRP   6  -1.700   1.760  -0.398
   64    HH2  TRP   6           HH2      TRP   6  -4.085   1.802   0.296
   65    H    GLN   7           H        GLN   7   1.213  -4.040  -2.354
   66    HA   GLN   7           HA       GLN   7   3.582  -5.540  -1.399
   67   1HB   GLN   7          2HB       GLN   7   2.614  -6.353  -3.403
   68   2HB   GLN   7          1HB       GLN   7   2.408  -4.730  -4.060
   69   1HG   GLN   7          2HG       GLN   7   4.704  -4.497  -4.537
   70   2HG   GLN   7          1HG       GLN   7   5.155  -5.803  -3.440
   71   1HE2  GLN   7          2HE2      GLN   7   4.902  -6.827  -7.183
   72   2HE2  GLN   7          1HE2      GLN   7   5.437  -5.351  -6.537
   73    H    TRP   8           H        TRP   8   5.134  -4.226  -0.481
   74    HA   TRP   8           HA       TRP   8   5.558  -1.494  -0.770
   75   1HB   TRP   8          2HB       TRP   8   7.255  -3.886  -0.181
   76   2HB   TRP   8          1HB       TRP   8   8.040  -2.313  -0.343
   77    HD1  TRP   8           HD1      TRP   8   6.133  -4.380   2.026
   78    HE1  TRP   8           HE1      TRP   8   5.517  -3.032   4.126
   79    HE3  TRP   8           HE3      TRP   8   7.274   0.284   0.413
   80    HZ2  TRP   8           HZ2      TRP   8   5.520  -0.308   5.014
   81    HZ3  TRP   8           HZ3      TRP   8   6.968   2.256   1.887
   82    HH2  TRP   8           HH2      TRP   8   6.088   1.963   4.188
   83    H    ARG   9           H        ARG   9   5.527  -0.579  -2.853
   84    HA   ARG   9           HA       ARG   9   6.921  -1.816  -5.107
   85   1HB   ARG   9          2HB       ARG   9   5.414   0.738  -4.548
   86   2HB   ARG   9          1HB       ARG   9   6.266   0.519  -6.077
   87   1HG   ARG   9          2HG       ARG   9   4.699  -1.835  -5.378
   88   2HG   ARG   9          1HG       ARG   9   3.693  -0.390  -5.480
   89   1HD   ARG   9          2HD       ARG   9   5.617  -0.456  -7.662
   90   2HD   ARG   9          1HD       ARG   9   4.605  -1.914  -7.650
   91    HE   ARG   9           HE       ARG   9   2.954   0.361  -7.123
   92   1HH1  ARG   9          2HH1      ARG   9   5.185  -0.068  -9.606
   93   2HH1  ARG   9          1HH1      ARG   9   4.036   0.066 -10.895
   94   1HH2  ARG   9          1HH2      ARG   9   1.279   0.074  -8.792
   95   2HH2  ARG   9          2HH2      ARG   9   1.825   0.147 -10.434
   96    H    MET  10           H        MET  10   8.334   0.063  -6.372
   97    HA   MET  10           HA       MET  10  10.676   0.450  -4.649
   98   1HB   MET  10          2HB       MET  10  10.376   1.542  -7.430
   99   2HB   MET  10          1HB       MET  10  11.787   0.815  -6.672
  100   1HG   MET  10          2HG       MET  10  10.371  -1.364  -6.617
  101   2HG   MET  10          1HG       MET  10   9.361  -0.556  -7.816
  102   1HE   MET  10          3HE       MET  10   9.744  -2.540  -9.147
  103   2HE   MET  10          2HE       MET  10   9.825  -1.240 -10.334
  104   3HE   MET  10          1HE       MET  10  10.972  -2.575 -10.420
  105    H    LYS  11           H        LYS  11  11.639   2.514  -4.237
  106    HA   LYS  11           HA       LYS  11  10.182   4.989  -4.909
  107   1HB   LYS  11          2HB       LYS  11   9.706   3.495  -2.503
  108   2HB   LYS  11          1HB       LYS  11  10.477   5.025  -2.084
  109   1HG   LYS  11          2HG       LYS  11   8.755   6.054  -3.767
  110   2HG   LYS  11          1HG       LYS  11   7.867   4.555  -3.493
  111   1HD   LYS  11          2HD       LYS  11   7.740   4.973  -1.124
  112   2HD   LYS  11          1HD       LYS  11   8.851   6.337  -1.251
  113   1HE   LYS  11          2HE       LYS  11   6.830   6.967  -3.073
  114   2HE   LYS  11          1HE       LYS  11   5.965   6.282  -1.682
  115   1HZ   LYS  11          1HZ       LYS  11   7.296   7.697  -0.222
  116   2HZ   LYS  11          3HZ       LYS  11   8.058   8.390  -1.569
  117   3HZ   LYS  11          2HZ       LYS  11   6.393   8.627  -1.321
  118    H    LYS  12           H        LYS  12  11.359   6.492  -2.794
  119    HA   LYS  12           HA       LYS  12  13.850   7.247  -3.863
  120   1HB   LYS  12          2HB       LYS  12  13.128   7.388  -0.932
  121   2HB   LYS  12          1HB       LYS  12  14.083   8.534  -1.866
  122   1HG   LYS  12          2HG       LYS  12  11.591   8.309  -3.193
  123   2HG   LYS  12          1HG       LYS  12  11.230   8.482  -1.475
  124   1HD   LYS  12          2HD       LYS  12  12.988  10.311  -3.138
  125   2HD   LYS  12          1HD       LYS  12  11.396  10.697  -2.483
  126   1HE   LYS  12          2HE       LYS  12  12.307  10.348  -0.171
  127   2HE   LYS  12          1HE       LYS  12  13.917  10.124  -0.885
  128   1HZ   LYS  12          2HZ       LYS  12  12.344  12.436  -1.746
  129   2HZ   LYS  12          1HZ       LYS  12  13.050  12.504  -0.202
  130   3HZ   LYS  12          3HZ       LYS  12  14.027  12.277  -1.570
  131    H    LEU  13           H        LEU  13  15.727   7.220  -1.859
  132    HA   LEU  13           HA       LEU  13  16.898   4.609  -2.143
  133   1HB   LEU  13          2HB       LEU  13  18.731   5.649  -0.896
  134   2HB   LEU  13          1HB       LEU  13  18.107   6.782  -2.096
  135    HG   LEU  13           HG       LEU  13  16.544   7.144   0.238
  136   1HD1  LEU  13          2HD1      LEU  13  19.527   7.103   0.797
  137   2HD1  LEU  13          1HD1      LEU  13  18.295   7.738   1.888
  138   3HD1  LEU  13          3HD1      LEU  13  18.329   6.017   1.503
  139   1HD2  LEU  13          2HD2      LEU  13  18.768   8.748  -1.057
  140   2HD2  LEU  13          1HD2      LEU  13  17.034   8.911  -1.339
  141   3HD2  LEU  13          3HD2      LEU  13  17.723   9.382   0.215
  142    H    GLY  14           H        GLY  14  17.023   2.947  -0.648
  143   1HA   GLY  14          2HA       GLY  14  16.275   1.644   1.166
  144   2HA   GLY  14          1HA       GLY  14  16.871   3.007   2.106
  145    H    ALA  15           H        ALA  15  14.079   2.792  -0.097
  146    HA   ALA  15           HA       ALA  15  12.173   2.890   2.123
  147   1HB   ALA  15          1HB       ALA  15  13.184   5.301   0.724
  148   2HB   ALA  15          3HB       ALA  15  11.437   5.232   0.963
  149   3HB   ALA  15          2HB       ALA  15  12.522   5.140   2.350
  150    HA   PRO  16           HA       PRO  16  10.296   1.211  -1.641
  151   1HB   PRO  16          2HB       PRO  16   8.723  -0.603  -0.314
  152   2HB   PRO  16          1HB       PRO  16  10.431  -0.899  -0.705
  153   1HG   PRO  16          2HG       PRO  16   9.184  -0.128   1.872
  154   2HG   PRO  16          1HG       PRO  16  10.586  -1.159   1.558
  155   1HD   PRO  16          2HD       PRO  16  10.703   1.476   2.407
  156   2HD   PRO  16          1HD       PRO  16  12.028   0.592   1.620
  157    H    SER  17           H        SER  17   7.737   0.762  -1.943
  158    HA   SER  17           HA       SER  17   6.173   2.805  -0.415
  159   1HB   SER  17          2HB       SER  17   5.252   3.111  -2.964
  160   2HB   SER  17          1HB       SER  17   6.530   4.102  -2.268
  161    HG   SER  17           HG       SER  17   6.706   2.567  -4.360
  162    H    ILE  18           H        ILE  18   4.933   1.130   0.602
  163    HA   ILE  18           HA       ILE  18   3.777  -1.063  -0.917
  164    HB   ILE  18           HB       ILE  18   4.345  -0.508   1.707
  165   1HG1  ILE  18          2HG1      ILE  18   2.320  -2.538   0.725
  166   2HG1  ILE  18          1HG1      ILE  18   4.066  -2.724   0.613
  167   1HG2  ILE  18          3HG2      ILE  18   1.348  -0.263   1.357
  168   2HG2  ILE  18          2HG2      ILE  18   2.134  -0.614   2.897
  169   3HG2  ILE  18          1HG2      ILE  18   2.435   0.921   2.083
  170   1HD1  ILE  18          1HD1      ILE  18   3.718  -2.058   3.265
  171   2HD1  ILE  18          3HD1      ILE  18   2.298  -3.050   2.935
  172   3HD1  ILE  18          2HD1      ILE  18   3.913  -3.701   2.653
  173    H    THR  19           H        THR  19   2.114  -0.785  -2.322
  174    HA   THR  19           HA       THR  19   0.106   1.371  -1.751
  175    HB   THR  19           HB       THR  19   1.237   1.902  -3.757
  176    HG1  THR  19           HG1      THR  19  -0.330   1.063  -5.424
  177   1HG2  THR  19          3HG2      THR  19   1.085  -1.052  -4.396
  178   2HG2  THR  19          2HG2      THR  19   1.661   0.171  -5.528
  179   3HG2  THR  19          1HG2      THR  19   2.537  -0.123  -4.025
  180    H    CYS  20           H        CYS  20  -2.049   0.767  -2.983
  181    HA   CYS  20           HA       CYS  20  -2.956  -1.792  -1.880
  182   1HB   CYS  20          2HB       CYS  20  -4.313   0.273  -1.848
  183   2HB   CYS  20          1HB       CYS  20  -4.292   0.319  -3.610
  184    H    VAL  21           H        VAL  21  -2.639  -3.684  -3.016
  185    HA   VAL  21           HA       VAL  21  -2.505  -3.505  -5.991
  186    HB   VAL  21           HB       VAL  21  -0.917  -5.227  -5.905
  187   1HG1  VAL  21          1HG1      VAL  21  -0.723  -3.863  -3.202
  188   2HG1  VAL  21          3HG1      VAL  21   0.562  -4.828  -3.927
  189   3HG1  VAL  21          2HG1      VAL  21   0.036  -3.334  -4.704
  190   1HG2  VAL  21          1HG2      VAL  21  -2.255  -6.034  -3.310
  191   2HG2  VAL  21          3HG2      VAL  21  -2.205  -6.937  -4.824
  192   3HG2  VAL  21          2HG2      VAL  21  -0.739  -6.746  -3.863
  193    H    ARG  22           H        ARG  22  -4.889  -3.713  -4.236
  194    HA   ARG  22           HA       ARG  22  -6.311  -5.752  -5.784
  195   1HB   ARG  22          2HB       ARG  22  -5.098  -6.971  -3.932
  196   2HB   ARG  22          1HB       ARG  22  -6.064  -6.051  -2.777
  197   1HG   ARG  22          2HG       ARG  22  -7.573  -7.732  -2.966
  198   2HG   ARG  22          1HG       ARG  22  -7.978  -7.005  -4.521
  199   1HD   ARG  22          2HD       ARG  22  -5.710  -8.527  -5.091
  200   2HD   ARG  22          1HD       ARG  22  -6.647  -9.546  -3.981
  201    HE   ARG  22           HE       ARG  22  -8.154  -9.829  -5.770
  202   1HH1  ARG  22          1HH2      ARG  22  -9.757  -7.625  -5.880
  203   2HH1  ARG  22          2HH2      ARG  22  -9.281  -6.703  -7.266
  204   1HH2  ARG  22          2HH1      ARG  22  -6.195  -8.253  -7.567
  205   2HH2  ARG  22          1HH1      ARG  22  -7.264  -7.059  -8.222
  206    H    ARG  23           H        ARG  23  -8.112  -4.516  -6.281
  207    HA   ARG  23           HA       ARG  23  -9.166  -2.623  -4.255
  208   1HB   ARG  23          2HB       ARG  23  -9.826  -3.180  -7.168
  209   2HB   ARG  23          1HB       ARG  23 -10.492  -1.854  -6.219
  210   1HG   ARG  23          2HG       ARG  23  -8.160  -1.042  -5.805
  211   2HG   ARG  23          1HG       ARG  23  -7.574  -2.297  -6.897
  212   1HD   ARG  23          2HD       ARG  23  -8.077  -1.025  -8.704
  213   2HD   ARG  23          1HD       ARG  23  -9.741  -0.797  -8.130
  214    HE   ARG  23           HE       ARG  23  -8.971   1.113  -6.808
  215   1HH1  ARG  23          1HH2      ARG  23  -6.279  -0.547  -8.037
  216   2HH1  ARG  23          2HH2      ARG  23  -5.358   0.878  -8.385
  217   1HH2  ARG  23          2HH1      ARG  23  -7.945   3.056  -7.618
  218   2HH2  ARG  23          1HH1      ARG  23  -6.302   2.919  -8.148
  219    H    ALA  24           H        ALA  24  -9.629  -5.113  -3.302
  220    HA   ALA  24           HA       ALA  24 -11.986  -6.456  -4.239
  221   1HB   ALA  24          3HB       ALA  24 -10.220  -7.366  -2.730
  222   2HB   ALA  24          2HB       ALA  24 -10.780  -6.281  -1.458
  223   3HB   ALA  24          1HB       ALA  24 -11.836  -7.563  -2.052
  224    H    PHE  25           HN       PHE  25 -14.142  -5.990  -3.875
  225    HA   PHE  25           HA       PHE  25 -15.122  -4.523  -1.625
  226   1HB   PHE  25          2HB       PHE  25 -13.993  -3.062  -3.794
  227   2HB   PHE  25          1HB       PHE  25 -15.732  -2.789  -3.785
  228    HD1  PHE  25           HD2      PHE  25 -16.263  -3.131  -0.844
  229    HD2  PHE  25           HD1      PHE  25 -13.187  -0.984  -2.937
  230    HE1  PHE  25           HE2      PHE  25 -16.018  -1.597   1.090
  231    HE2  PHE  25           HE1      PHE  25 -12.942   0.550  -1.004
  232    HZ   PHE  25           HZ       PHE  25 -14.358   0.243   1.009
   
  No H/Q in entry =         232
  Start of MODEL    5
    1   1H    PHE   1          1H        PHE   1  -7.021   3.494   1.345
    2   2H    PHE   1          3H        PHE   1  -6.708   3.434  -0.322
    3   3H    PHE   1          2H        PHE   1  -7.887   4.499   0.282
    4    HA   PHE   1           HA       PHE   1  -9.453   2.879   0.536
    5   1HB   PHE   1          2HB       PHE   1  -8.389   3.079  -1.824
    6   2HB   PHE   1          1HB       PHE   1  -7.658   1.513  -1.472
    7    HD1  PHE   1           HD2      PHE   1 -10.988   3.237  -1.298
    8    HD2  PHE   1           HD1      PHE   1  -8.849  -0.421  -2.001
    9    HE1  PHE   1           HE2      PHE   1 -13.115   2.107  -1.890
   10    HE2  PHE   1           HE1      PHE   1 -10.975  -1.551  -2.594
   11    HZ   PHE   1           HZ       PHE   1 -13.108  -0.287  -2.539
   12    H    LYS   2           H        LYS   2 -10.018   0.851   1.439
   13    HA   LYS   2           HA       LYS   2  -8.002  -0.430   3.108
   14   1HB   LYS   2          2HB       LYS   2 -10.864  -0.264   2.814
   15   2HB   LYS   2          1HB       LYS   2 -10.391  -1.959   2.945
   16   1HG   LYS   2          2HG       LYS   2  -9.063  -1.408   4.974
   17   2HG   LYS   2          1HG       LYS   2  -9.622   0.260   4.863
   18   1HD   LYS   2          2HD       LYS   2 -11.670  -0.245   5.701
   19   2HD   LYS   2          1HD       LYS   2 -11.788  -1.729   4.755
   20   1HE   LYS   2          2HE       LYS   2 -11.540  -2.730   6.813
   21   2HE   LYS   2          1HE       LYS   2  -9.818  -2.409   6.532
   22   1HZ   LYS   2          1HZ       LYS   2 -11.586  -0.328   7.656
   23   2HZ   LYS   2          3HZ       LYS   2 -10.873  -1.489   8.667
   24   3HZ   LYS   2          2HZ       LYS   2  -9.894  -0.450   7.748
   25    H    CYS   3           H        CYS   3  -6.618  -1.024   1.120
   26    HA   CYS   3           HA       CYS   3  -7.535  -3.085  -0.703
   27   1HB   CYS   3          2HB       CYS   3  -5.518  -1.312  -0.657
   28   2HB   CYS   3          1HB       CYS   3  -4.652  -2.721  -0.053
   29    H    ARG   4           H        ARG   4  -5.436  -4.906  -0.622
   30    HA   ARG   4           HA       ARG   4  -5.567  -6.189   2.062
   31   1HB   ARG   4          2HB       ARG   4  -6.240  -8.300   0.871
   32   2HB   ARG   4          1HB       ARG   4  -7.452  -7.024   0.788
   33   1HG   ARG   4          2HG       ARG   4  -7.354  -7.726  -1.435
   34   2HG   ARG   4          1HG       ARG   4  -6.224  -6.374  -1.435
   35   1HD   ARG   4          2HD       ARG   4  -4.695  -7.832  -2.277
   36   2HD   ARG   4          1HD       ARG   4  -4.665  -8.576  -0.667
   37    HE   ARG   4           HE       ARG   4  -6.703  -9.403  -2.695
   38   1HH1  ARG   4          2HH1      ARG   4  -7.063 -10.814  -0.243
   39   2HH1  ARG   4          1HH1      ARG   4  -6.019 -12.191  -0.363
   40   1HH2  ARG   4          1HH2      ARG   4  -4.115 -10.856  -2.935
   41   2HH2  ARG   4          2HH2      ARG   4  -4.350 -12.215  -1.887
   42    H    ARG   5           H        ARG   5  -4.100  -6.078  -1.168
   43    HA   ARG   5           HA       ARG   5  -1.745  -7.577  -0.071
   44   1HB   ARG   5          2HB       ARG   5  -2.986  -8.722  -1.852
   45   2HB   ARG   5          1HB       ARG   5  -2.826  -7.306  -2.889
   46   1HG   ARG   5          2HG       ARG   5  -0.941  -8.297  -3.662
   47   2HG   ARG   5          1HG       ARG   5  -0.214  -7.791  -2.137
   48   1HD   ARG   5          2HD       ARG   5  -1.770 -10.364  -2.223
   49   2HD   ARG   5          1HD       ARG   5  -0.100 -10.332  -2.822
   50    HE   ARG   5           HE       ARG   5  -0.939  -9.747  -0.034
   51   1HH1  ARG   5          2HH1      ARG   5   1.345 -11.192  -1.980
   52   2HH1  ARG   5          1HH1      ARG   5   2.726 -10.644  -1.089
   53   1HH2  ARG   5          1HH2      ARG   5   0.903  -8.487   0.922
   54   2HH2  ARG   5          2HH2      ARG   5   2.475  -9.113   0.554
   55    H    TRP   6           H        TRP   6  -1.074  -5.327   0.723
   56    HA   TRP   6           HA       TRP   6  -0.363  -3.304  -1.197
   57   1HB   TRP   6          2HB       TRP   6   0.399  -3.851   1.685
   58   2HB   TRP   6          1HB       TRP   6   0.724  -2.339   0.839
   59    HD1  TRP   6           HD1      TRP   6  -2.243  -4.527   1.875
   60    HE1  TRP   6           HE1      TRP   6  -4.308  -3.003   2.093
   61    HE3  TRP   6           HE3      TRP   6  -0.226  -0.192   0.287
   62    HZ2  TRP   6           HZ2      TRP   6  -5.002  -0.242   1.654
   63    HZ3  TRP   6           HZ3      TRP   6  -1.575   1.902   0.183
   64    HH2  TRP   6           HH2      TRP   6  -3.964   1.876   0.865
   65    H    GLN   7           H        GLN   7   1.107  -4.171  -2.752
   66    HA   GLN   7           HA       GLN   7   3.477  -5.679  -1.864
   67   1HB   GLN   7          2HB       GLN   7   2.372  -6.329  -3.905
   68   2HB   GLN   7          1HB       GLN   7   2.419  -4.676  -4.520
   69   1HG   GLN   7          2HG       GLN   7   4.367  -5.204  -5.523
   70   2HG   GLN   7          1HG       GLN   7   5.087  -5.283  -3.915
   71   1HE2  GLN   7          2HE2      GLN   7   4.009  -8.786  -5.779
   72   2HE2  GLN   7          1HE2      GLN   7   3.292  -7.330  -6.273
   73    H    TRP   8           H        TRP   8   4.895  -4.293  -0.760
   74    HA   TRP   8           HA       TRP   8   5.422  -1.612  -1.006
   75   1HB   TRP   8          2HB       TRP   8   7.088  -4.042  -0.499
   76   2HB   TRP   8          1HB       TRP   8   7.897  -2.478  -0.615
   77    HD1  TRP   8           HD1      TRP   8   5.973  -4.589   1.697
   78    HE1  TRP   8           HE1      TRP   8   5.383  -3.299   3.840
   79    HE3  TRP   8           HE3      TRP   8   7.166   0.112   0.224
   80    HZ2  TRP   8           HZ2      TRP   8   5.423  -0.605   4.812
   81    HZ3  TRP   8           HZ3      TRP   8   6.892   2.039   1.761
   82    HH2  TRP   8           HH2      TRP   8   6.017   1.684   4.056
   83    H    ARG   9           H        ARG   9   5.424  -0.605  -3.040
   84    HA   ARG   9           HA       ARG   9   6.795  -1.773  -5.346
   85   1HB   ARG   9          2HB       ARG   9   5.334   0.780  -4.678
   86   2HB   ARG   9          1HB       ARG   9   6.192   0.620  -6.210
   87   1HG   ARG   9          2HG       ARG   9   4.896  -1.395  -6.750
   88   2HG   ARG   9          1HG       ARG   9   4.056  -1.283  -5.202
   89   1HD   ARG   9          2HD       ARG   9   2.510  -0.144  -6.485
   90   2HD   ARG   9          1HD       ARG   9   3.597   1.221  -6.163
   91    HE   ARG   9           HE       ARG   9   4.814   0.336  -8.322
   92   1HH1  ARG   9          1HH2      ARG   9   3.200  -1.586  -9.493
   93   2HH1  ARG   9          2HH2      ARG   9   1.958  -0.736 -10.349
   94   1HH2  ARG   9          2HH1      ARG   9   2.447   2.240  -8.638
   95   2HH2  ARG   9          1HH1      ARG   9   1.532   1.431  -9.865
   96    H    MET  10           H        MET  10   8.220   0.206  -6.512
   97    HA   MET  10           HA       MET  10  10.568   0.443  -4.755
   98   1HB   MET  10          2HB       MET  10  10.291   1.614  -7.510
   99   2HB   MET  10          1HB       MET  10  11.707   0.899  -6.753
  100   1HG   MET  10          2HG       MET  10   9.277  -0.538  -7.836
  101   2HG   MET  10          1HG       MET  10  10.951  -0.703  -8.358
  102   1HE   MET  10          2HE       MET  10  11.523  -2.691  -8.325
  103   2HE   MET  10          1HE       MET  10  11.764  -3.810  -6.985
  104   3HE   MET  10          3HE       MET  10  10.188  -3.704  -7.782
  105    H    LYS  11           H        LYS  11  11.581   2.479  -4.292
  106    HA   LYS  11           HA       LYS  11  10.169   5.001  -4.873
  107   1HB   LYS  11          2HB       LYS  11   9.635   3.434  -2.534
  108   2HB   LYS  11          1HB       LYS  11  10.459   4.914  -2.041
  109   1HG   LYS  11          2HG       LYS  11   8.769   6.039  -3.740
  110   2HG   LYS  11          1HG       LYS  11   7.819   4.590  -3.413
  111   1HD   LYS  11          2HD       LYS  11   7.717   5.060  -1.078
  112   2HD   LYS  11          1HD       LYS  11   8.977   6.288  -1.197
  113   1HE   LYS  11          2HE       LYS  11   7.034   7.160  -3.006
  114   2HE   LYS  11          1HE       LYS  11   6.104   6.572  -1.613
  115   1HZ   LYS  11          1HZ       LYS  11   7.909   7.764  -0.251
  116   2HZ   LYS  11          3HZ       LYS  11   8.235   8.614  -1.683
  117   3HZ   LYS  11          2HZ       LYS  11   6.694   8.708  -0.973
  118    H    LYS  12           H        LYS  12  11.363   6.397  -2.691
  119    HA   LYS  12           HA       LYS  12  13.867   7.158  -3.723
  120   1HB   LYS  12          2HB       LYS  12  13.139   7.185  -0.789
  121   2HB   LYS  12          1HB       LYS  12  14.115   8.355  -1.671
  122   1HG   LYS  12          2HG       LYS  12  11.894   8.599  -3.116
  123   2HG   LYS  12          1HG       LYS  12  11.144   8.025  -1.626
  124   1HD   LYS  12          2HD       LYS  12  13.192  10.124  -1.257
  125   2HD   LYS  12          1HD       LYS  12  11.740  10.644  -2.114
  126   1HE   LYS  12          2HE       LYS  12  11.164  10.993   0.153
  127   2HE   LYS  12          1HE       LYS  12  10.473   9.392  -0.175
  128   1HZ   LYS  12          1HZ       LYS  12  12.918   8.665   0.419
  129   2HZ   LYS  12          3HZ       LYS  12  12.886  10.098   1.324
  130   3HZ   LYS  12          2HZ       LYS  12  11.743   8.878   1.627
  131    H    LEU  13           H        LEU  13  15.739   7.018  -1.717
  132    HA   LEU  13           HA       LEU  13  16.875   4.408  -2.111
  133   1HB   LEU  13          2HB       LEU  13  18.702   5.369  -0.771
  134   2HB   LEU  13          1HB       LEU  13  18.133   6.535  -1.966
  135    HG   LEU  13           HG       LEU  13  16.531   6.837   0.377
  136   1HD1  LEU  13          1HD1      LEU  13  18.850   5.737   1.213
  137   2HD1  LEU  13          3HD1      LEU  13  19.347   7.427   1.134
  138   3HD1  LEU  13          2HD1      LEU  13  17.984   6.955   2.150
  139   1HD2  LEU  13          3HD2      LEU  13  18.236   8.391  -1.424
  140   2HD2  LEU  13          2HD2      LEU  13  16.744   8.865  -0.609
  141   3HD2  LEU  13          1HD2      LEU  13  18.290   8.992   0.233
  142    H    GLY  14           H        GLY  14  16.963   2.675  -0.698
  143   1HA   GLY  14          2HA       GLY  14  16.188   1.299   1.049
  144   2HA   GLY  14          1HA       GLY  14  16.799   2.608   2.056
  145    H    ALA  15           H        ALA  15  14.015   2.536  -0.167
  146    HA   ALA  15           HA       ALA  15  12.102   2.565   2.050
  147   1HB   ALA  15          3HB       ALA  15  13.288   4.893   1.744
  148   2HB   ALA  15          2HB       ALA  15  12.198   5.052   0.367
  149   3HB   ALA  15          1HB       ALA  15  11.543   4.835   1.991
  150    HA   PRO  16           HA       PRO  16  10.213   1.064  -1.782
  151   1HB   PRO  16          2HB       PRO  16   8.605  -0.774  -0.531
  152   2HB   PRO  16          1HB       PRO  16  10.310  -1.081  -0.926
  153   1HG   PRO  16          2HG       PRO  16   9.064  -0.391   1.674
  154   2HG   PRO  16          1HG       PRO  16  10.451  -1.432   1.324
  155   1HD   PRO  16          2HD       PRO  16  10.606   1.167   2.275
  156   2HD   PRO  16          1HD       PRO  16  11.920   0.292   1.461
  157    H    SER  17           H        SER  17   7.649   0.669  -2.111
  158    HA   SER  17           HA       SER  17   6.122   2.701  -0.528
  159   1HB   SER  17          2HB       SER  17   7.092   2.885  -3.216
  160   2HB   SER  17          1HB       SER  17   5.336   2.766  -3.278
  161    HG   SER  17           HG       SER  17   5.159   4.610  -2.197
  162    H    ILE  18           H        ILE  18   4.857   1.040   0.477
  163    HA   ILE  18           HA       ILE  18   3.649  -1.104  -1.081
  164    HB   ILE  18           HB       ILE  18   4.259  -0.597   1.560
  165   1HG1  ILE  18          2HG1      ILE  18   2.329  -2.651   0.448
  166   2HG1  ILE  18          1HG1      ILE  18   4.085  -2.796   0.491
  167   1HG2  ILE  18          1HG2      ILE  18   2.204   0.793   1.805
  168   2HG2  ILE  18          3HG2      ILE  18   1.239  -0.611   1.352
  169   3HG2  ILE  18          2HG2      ILE  18   2.189  -0.637   2.837
  170   1HD1  ILE  18          2HD1      ILE  18   3.601  -2.240   3.098
  171   2HD1  ILE  18          1HD1      ILE  18   2.109  -3.085   2.685
  172   3HD1  ILE  18          3HD1      ILE  18   3.667  -3.883   2.459
  173    H    THR  19           H        THR  19   2.006  -0.707  -2.486
  174    HA   THR  19           HA       THR  19   0.045   1.465  -1.828
  175    HB   THR  19           HB       THR  19   1.461   1.684  -3.883
  176    HG1  THR  19           HG1      THR  19  -0.718   2.485  -3.776
  177   1HG2  THR  19          2HG2      THR  19   0.159  -0.968  -4.467
  178   2HG2  THR  19          1HG2      THR  19   0.714   0.075  -5.778
  179   3HG2  THR  19          3HG2      THR  19   1.863  -0.526  -4.581
  180    H    CYS  20           H        CYS  20  -1.827   0.488  -3.849
  181    HA   CYS  20           HA       CYS  20  -2.862  -1.922  -2.390
  182   1HB   CYS  20          2HB       CYS  20  -4.285  -0.009  -2.132
  183   2HB   CYS  20          1HB       CYS  20  -4.155   0.403  -3.841
  184    H    VAL  21           H        VAL  21  -2.496  -3.758  -3.616
  185    HA   VAL  21           HA       VAL  21  -2.635  -3.496  -6.584
  186    HB   VAL  21           HB       VAL  21  -0.982  -5.141  -6.686
  187   1HG1  VAL  21          1HG1      VAL  21  -0.655  -3.979  -3.905
  188   2HG1  VAL  21          3HG1      VAL  21   0.601  -4.858  -4.773
  189   3HG1  VAL  21          2HG1      VAL  21   0.005  -3.323  -5.403
  190   1HG2  VAL  21          1HG2      VAL  21  -2.471  -6.261  -4.384
  191   2HG2  VAL  21          3HG2      VAL  21  -1.735  -7.087  -5.758
  192   3HG2  VAL  21          2HG2      VAL  21  -0.738  -6.586  -4.392
  193    H    ARG  22           H        ARG  22  -4.810  -3.850  -4.568
  194    HA   ARG  22           HA       ARG  22  -6.381  -5.812  -6.063
  195   1HB   ARG  22          2HB       ARG  22  -4.820  -6.621  -3.849
  196   2HB   ARG  22          1HB       ARG  22  -6.488  -6.579  -3.276
  197   1HG   ARG  22          2HG       ARG  22  -7.098  -8.340  -4.561
  198   2HG   ARG  22          1HG       ARG  22  -6.191  -7.753  -5.954
  199   1HD   ARG  22          2HD       ARG  22  -4.288  -8.521  -3.966
  200   2HD   ARG  22          1HD       ARG  22  -5.454  -9.847  -4.147
  201    HE   ARG  22           HE       ARG  22  -4.746  -8.789  -6.729
  202   1HH1  ARG  22          1HH2      ARG  22  -4.847 -11.670  -5.368
  203   2HH1  ARG  22          2HH2      ARG  22  -3.262 -12.217  -5.800
  204   1HH2  ARG  22          2HH1      ARG  22  -2.149  -9.076  -6.758
  205   2HH2  ARG  22          1HH1      ARG  22  -1.734 -10.750  -6.586
  206    H    ARG  23           H        ARG  23  -7.760  -3.904  -6.316
  207    HA   ARG  23           HA       ARG  23  -8.813  -2.533  -3.957
  208   1HB   ARG  23          2HB       ARG  23  -9.569  -2.547  -6.901
  209   2HB   ARG  23          1HB       ARG  23 -10.174  -1.392  -5.714
  210   1HG   ARG  23          2HG       ARG  23  -7.935  -0.556  -5.297
  211   2HG   ARG  23          1HG       ARG  23  -7.236  -1.809  -6.325
  212   1HD   ARG  23          2HD       ARG  23  -7.877  -0.752  -8.281
  213   2HD   ARG  23          1HD       ARG  23  -9.313  -0.023  -7.536
  214    HE   ARG  23           HE       ARG  23  -6.541   0.901  -6.872
  215   1HH1  ARG  23          1HH2      ARG  23  -7.741   2.500  -5.167
  216   2HH1  ARG  23          2HH2      ARG  23  -8.598   3.736  -6.026
  217   1HH2  ARG  23          2HH1      ARG  23  -8.568   2.029  -9.044
  218   2HH2  ARG  23          1HH1      ARG  23  -9.066   3.470  -8.221
  219    H    ALA  24           H        ALA  24  -9.605  -4.640  -2.948
  220    HA   ALA  24           HA       ALA  24 -11.948  -5.919  -4.188
  221   1HB   ALA  24          1HB       ALA  24  -9.949  -6.697  -2.496
  222   2HB   ALA  24          3HB       ALA  24 -11.255  -6.399  -1.349
  223   3HB   ALA  24          2HB       ALA  24 -11.479  -7.557  -2.660
  224    H    PHE  25           HN       PHE  25 -13.986  -5.102  -3.934
  225    HA   PHE  25           HA       PHE  25 -14.806  -2.817  -2.652
  226   1HB   PHE  25          2HB       PHE  25 -16.042  -5.430  -3.358
  227   2HB   PHE  25          1HB       PHE  25 -16.984  -4.378  -2.301
  228    HD1  PHE  25           HD2      PHE  25 -17.045  -1.826  -3.041
  229    HD2  PHE  25           HD1      PHE  25 -16.215  -5.124  -5.664
  230    HE1  PHE  25           HE2      PHE  25 -17.689  -0.436  -4.992
  231    HE2  PHE  25           HE1      PHE  25 -16.858  -3.735  -7.615
  232    HZ   PHE  25           HZ       PHE  25 -17.596  -1.390  -7.279
   
  No H/Q in entry =         232
  Start of MODEL    6
    1   1H    PHE   1          2H        PHE   1  -7.776   2.417   2.755
    2   2H    PHE   1          1H        PHE   1  -8.360   3.880   2.118
    3   3H    PHE   1          3H        PHE   1  -9.336   2.959   3.155
    4    HA   PHE   1           HA       PHE   1 -10.182   2.508   1.022
    5   1HB   PHE   1          2HB       PHE   1  -8.088   3.612   0.058
    6   2HB   PHE   1          1HB       PHE   1  -7.314   2.032   0.174
    7    HD1  PHE   1           HD1      PHE   1 -10.201   3.850  -1.323
    8    HD2  PHE   1           HD2      PHE   1  -7.745   0.326  -1.425
    9    HE1  PHE   1           HE1      PHE   1 -11.264   3.170  -3.458
   10    HE2  PHE   1           HE2      PHE   1  -8.809  -0.353  -3.561
   11    HZ   PHE   1           HZ       PHE   1 -10.569   1.069  -4.576
   12    H    LYS   2           H        LYS   2 -10.802   0.382   0.430
   13    HA   LYS   2           HA       LYS   2  -9.878  -1.759   2.202
   14   1HB   LYS   2          2HB       LYS   2 -11.813  -1.668  -0.138
   15   2HB   LYS   2          1HB       LYS   2 -11.657  -3.013   0.993
   16   1HG   LYS   2          2HG       LYS   2 -11.953  -0.564   2.474
   17   2HG   LYS   2          1HG       LYS   2 -13.254  -0.688   1.289
   18   1HD   LYS   2          2HD       LYS   2 -14.230  -1.968   2.915
   19   2HD   LYS   2          1HD       LYS   2 -13.226  -3.235   2.208
   20   1HE   LYS   2          2HE       LYS   2 -11.737  -1.636   4.153
   21   2HE   LYS   2          1HE       LYS   2 -13.153  -2.426   4.873
   22   1HZ   LYS   2          2HZ       LYS   2 -11.600  -3.981   2.957
   23   2HZ   LYS   2          1HZ       LYS   2 -10.879  -3.713   4.472
   24   3HZ   LYS   2          3HZ       LYS   2 -12.387  -4.485   4.376
   25    H    CYS   3           H        CYS   3  -8.218  -3.135   1.710
   26    HA   CYS   3           HA       CYS   3  -7.568  -3.626  -1.175
   27   1HB   CYS   3          2HB       CYS   3  -6.138  -1.970   0.403
   28   2HB   CYS   3          1HB       CYS   3  -5.370  -3.497   0.824
   29    H    ARG   4           H        ARG   4  -5.378  -5.302  -0.614
   30    HA   ARG   4           HA       ARG   4  -6.400  -7.455   1.158
   31   1HB   ARG   4          2HB       ARG   4  -7.536  -8.003  -0.839
   32   2HB   ARG   4          1HB       ARG   4  -6.167  -7.535  -1.845
   33   1HG   ARG   4          2HG       ARG   4  -5.694  -9.720   0.119
   34   2HG   ARG   4          1HG       ARG   4  -6.707 -10.105  -1.274
   35   1HD   ARG   4          2HD       ARG   4  -4.980  -9.695  -2.810
   36   2HD   ARG   4          1HD       ARG   4  -4.085  -8.667  -1.674
   37    HE   ARG   4           HE       ARG   4  -3.593 -10.735  -0.357
   38   1HH1  ARG   4          1HH2      ARG   4  -4.826 -13.009  -0.794
   39   2HH1  ARG   4          2HH2      ARG   4  -4.211 -13.743  -2.237
   40   1HH2  ARG   4          2HH1      ARG   4  -2.771 -10.822  -3.427
   41   2HH2  ARG   4          1HH1      ARG   4  -3.047 -12.505  -3.728
   42    H    ARG   5           H        ARG   5  -3.834  -6.283  -1.008
   43    HA   ARG   5           HA       ARG   5  -1.829  -7.516   0.799
   44   1HB   ARG   5          2HB       ARG   5  -2.313  -9.296  -0.751
   45   2HB   ARG   5          1HB       ARG   5  -2.219  -8.194  -2.126
   46   1HG   ARG   5          2HG       ARG   5  -0.149  -9.533  -1.905
   47   2HG   ARG   5          1HG       ARG   5   0.170  -7.814  -1.674
   48   1HD   ARG   5          2HD       ARG   5  -0.530  -8.942   0.872
   49   2HD   ARG   5          1HD       ARG   5   0.749  -9.932   0.140
   50    HE   ARG   5           HE       ARG   5   1.007  -6.956   0.181
   51   1HH1  ARG   5          2HH1      ARG   5   1.800  -9.758   1.887
   52   2HH1  ARG   5          1HH1      ARG   5   3.496  -9.418   1.988
   53   1HH2  ARG   5          1HH2      ARG   5   3.338  -6.662  -0.110
   54   2HH2  ARG   5          2HH2      ARG   5   4.367  -7.665   0.857
   55    H    TRP   6           H        TRP   6  -1.152  -5.318   1.213
   56    HA   TRP   6           HA       TRP   6  -0.517  -3.405  -0.797
   57   1HB   TRP   6          2HB       TRP   6   0.455  -3.885   2.034
   58   2HB   TRP   6          1HB       TRP   6   0.754  -2.400   1.128
   59    HD1  TRP   6           HD1      TRP   6  -2.097  -4.447   2.600
   60    HE1  TRP   6           HE1      TRP   6  -4.161  -2.915   2.799
   61    HE3  TRP   6           HE3      TRP   6  -0.297  -0.336   0.285
   62    HZ2  TRP   6           HZ2      TRP   6  -4.938  -0.241   2.065
   63    HZ3  TRP   6           HZ3      TRP   6  -1.691   1.715   0.031
   64    HH2  TRP   6           HH2      TRP   6  -4.010   1.761   0.921
   65    H    GLN   7           H        GLN   7   1.138  -3.543  -2.286
   66    HA   GLN   7           HA       GLN   7   3.440  -5.356  -1.700
   67   1HB   GLN   7          2HB       GLN   7   2.366  -5.946  -3.715
   68   2HB   GLN   7          1HB       GLN   7   2.094  -4.265  -4.170
   69   1HG   GLN   7          2HG       GLN   7   4.190  -4.028  -5.052
   70   2HG   GLN   7          1HG       GLN   7   4.932  -5.055  -3.825
   71   1HE2  GLN   7          2HE2      GLN   7   3.448  -6.771  -7.247
   72   2HE2  GLN   7          1HE2      GLN   7   2.972  -5.197  -6.825
   73    H    TRP   8           H        TRP   8   5.346  -4.386  -1.133
   74    HA   TRP   8           HA       TRP   8   5.732  -1.579  -0.969
   75   1HB   TRP   8          2HB       TRP   8   7.427  -4.046  -0.865
   76   2HB   TRP   8          1HB       TRP   8   8.202  -2.460  -0.828
   77    HD1  TRP   8           HD1      TRP   8   6.427  -4.875   1.303
   78    HE1  TRP   8           HE1      TRP   8   5.948  -3.873   3.619
   79    HE3  TRP   8           HE3      TRP   8   7.504  -0.037   0.359
   80    HZ2  TRP   8           HZ2      TRP   8   6.025  -1.317   4.915
   81    HZ3  TRP   8           HZ3      TRP   8   7.303   1.693   2.129
   82    HH2  TRP   8           HH2      TRP   8   6.560   1.056   4.409
   83    H    ARG   9           H        ARG   9   5.612  -0.355  -2.846
   84    HA   ARG   9           HA       ARG   9   6.675  -1.309  -5.399
   85   1HB   ARG   9          2HB       ARG   9   5.437   1.218  -4.310
   86   2HB   ARG   9          1HB       ARG   9   6.084   1.166  -5.949
   87   1HG   ARG   9          2HG       ARG   9   4.478  -1.178  -5.484
   88   2HG   ARG   9          1HG       ARG   9   3.545   0.263  -5.075
   89   1HD   ARG   9          2HD       ARG   9   4.513   1.186  -7.353
   90   2HD   ARG   9          1HD       ARG   9   4.720  -0.537  -7.722
   91    HE   ARG   9           HE       ARG   9   2.179  -0.485  -6.721
   92   1HH1  ARG   9          1HH2      ARG   9   1.863   2.362  -7.404
   93   2HH1  ARG   9          2HH2      ARG   9   1.315   2.311  -9.047
   94   1HH2  ARG   9          2HH1      ARG   9   2.321  -0.967  -9.562
   95   2HH2  ARG   9          1HH1      ARG   9   1.575   0.427 -10.268
   96    H    MET  10           H        MET  10   8.100   0.586  -6.546
   97    HA   MET  10           HA       MET  10  10.581   0.706  -4.955
   98   1HB   MET  10          2HB       MET  10  10.212   1.892  -7.688
   99   2HB   MET  10          1HB       MET  10  11.604   1.048  -7.027
  100   1HG   MET  10          2HG       MET  10  10.866  -0.749  -8.188
  101   2HG   MET  10          1HG       MET  10   9.636  -0.889  -6.933
  102   1HE   MET  10          3HE       MET  10  10.740   0.881 -10.018
  103   2HE   MET  10          2HE       MET  10  10.124  -0.592 -10.764
  104   3HE   MET  10          1HE       MET  10   9.337   0.950 -11.092
  105    H    LYS  11           H        LYS  11  11.676   2.709  -4.539
  106    HA   LYS  11           HA       LYS  11  10.367   5.278  -5.112
  107   1HB   LYS  11          2HB       LYS  11   9.529   3.780  -2.917
  108   2HB   LYS  11          1HB       LYS  11  10.654   4.950  -2.227
  109   1HG   LYS  11          2HG       LYS  11   9.340   6.649  -3.774
  110   2HG   LYS  11          1HG       LYS  11   8.069   5.430  -3.665
  111   1HD   LYS  11          2HD       LYS  11   7.538   6.126  -1.594
  112   2HD   LYS  11          1HD       LYS  11   9.194   5.842  -1.052
  113   1HE   LYS  11          2HE       LYS  11   9.764   8.054  -1.231
  114   2HE   LYS  11          1HE       LYS  11   8.794   8.283  -2.701
  115   1HZ   LYS  11          3HZ       LYS  11   7.439   7.680  -0.163
  116   2HZ   LYS  11          2HZ       LYS  11   7.976   9.267  -0.446
  117   3HZ   LYS  11          1HZ       LYS  11   6.866   8.540  -1.507
  118    H    LYS  12           H        LYS  12  11.538   6.599  -2.881
  119    HA   LYS  12           HA       LYS  12  14.131   7.278  -3.788
  120   1HB   LYS  12          2HB       LYS  12  13.020   7.382  -0.975
  121   2HB   LYS  12          1HB       LYS  12  14.264   8.432  -1.655
  122   1HG   LYS  12          2HG       LYS  12  12.012   8.524  -3.403
  123   2HG   LYS  12          1HG       LYS  12  11.422   8.761  -1.758
  124   1HD   LYS  12          2HD       LYS  12  12.205  10.868  -1.779
  125   2HD   LYS  12          1HD       LYS  12  13.838  10.256  -2.040
  126   1HE   LYS  12          2HE       LYS  12  13.321  11.738  -3.889
  127   2HE   LYS  12          1HE       LYS  12  13.248  10.080  -4.520
  128   1HZ   LYS  12          3HZ       LYS  12  10.856  11.314  -3.322
  129   2HZ   LYS  12          2HZ       LYS  12  11.259  11.655  -4.936
  130   3HZ   LYS  12          1HZ       LYS  12  10.954  10.055  -4.454
  131    H    LEU  13           H        LEU  13  15.357   7.025  -1.082
  132    HA   LEU  13           HA       LEU  13  17.239   5.060  -1.381
  133   1HB   LEU  13          2HB       LEU  13  16.079   6.620   0.745
  134   2HB   LEU  13          1HB       LEU  13  16.491   5.016   1.355
  135    HG   LEU  13           HG       LEU  13  18.612   5.889  -0.345
  136   1HD1  LEU  13          1HD1      LEU  13  17.557   7.934   1.597
  137   2HD1  LEU  13          3HD1      LEU  13  19.283   7.844   1.248
  138   3HD1  LEU  13          2HD1      LEU  13  18.138   8.171  -0.052
  139   1HD2  LEU  13          2HD2      LEU  13  18.535   4.327   1.715
  140   2HD2  LEU  13          1HD2      LEU  13  19.940   5.380   1.552
  141   3HD2  LEU  13          3HD2      LEU  13  18.646   5.803   2.674
  142    H    GLY  14           H        GLY  14  17.406   2.966   0.015
  143   1HA   GLY  14          2HA       GLY  14  15.956   0.876  -0.914
  144   2HA   GLY  14          1HA       GLY  14  16.514   0.892   0.757
  145    H    ALA  15           H        ALA  15  14.778   3.180   1.472
  146    HA   ALA  15           HA       ALA  15  12.519   1.861   2.498
  147   1HB   ALA  15          2HB       ALA  15  13.577   4.504   2.249
  148   2HB   ALA  15          1HB       ALA  15  11.865   4.573   1.832
  149   3HB   ALA  15          3HB       ALA  15  12.365   3.927   3.395
  150    HA   PRO  16           HA       PRO  16  10.483   1.335  -1.499
  151   1HB   PRO  16          2HB       PRO  16   8.895  -0.754  -0.670
  152   2HB   PRO  16          1HB       PRO  16  10.587  -0.945  -1.184
  153   1HG   PRO  16          2HG       PRO  16   9.418  -0.955   1.530
  154   2HG   PRO  16          1HG       PRO  16  10.837  -1.804   0.906
  155   1HD   PRO  16          2HD       PRO  16  10.866   0.508   2.465
  156   2HD   PRO  16          1HD       PRO  16  12.225  -0.130   1.519
  157    H    SER  17           H        SER  17   7.909   0.939  -1.849
  158    HA   SER  17           HA       SER  17   6.398   2.614   0.122
  159   1HB   SER  17          2HB       SER  17   6.136   2.874  -2.877
  160   2HB   SER  17          1HB       SER  17   5.613   4.009  -1.635
  161    HG   SER  17           HG       SER  17   8.006   4.003  -1.115
  162    H    ILE  18           H        ILE  18   5.183   0.799   0.864
  163    HA   ILE  18           HA       ILE  18   3.977  -1.120  -0.954
  164    HB   ILE  18           HB       ILE  18   4.651  -1.089   1.660
  165   1HG1  ILE  18          2HG1      ILE  18   2.316  -2.731   0.671
  166   2HG1  ILE  18          1HG1      ILE  18   3.969  -3.017   0.149
  167   1HG2  ILE  18          3HG2      ILE  18   2.777   0.507   2.178
  168   2HG2  ILE  18          2HG2      ILE  18   1.646  -0.764   1.710
  169   3HG2  ILE  18          1HG2      ILE  18   2.719  -1.002   3.090
  170   1HD1  ILE  18          1HD1      ILE  18   4.121  -2.803   2.942
  171   2HD1  ILE  18          3HD1      ILE  18   2.687  -3.781   2.632
  172   3HD1  ILE  18          2HD1      ILE  18   4.251  -4.282   1.990
  173    H    THR  19           H        THR  19   2.270  -0.654  -2.237
  174    HA   THR  19           HA       THR  19   0.313   1.430  -1.332
  175    HB   THR  19           HB       THR  19   0.915   0.378  -4.115
  176    HG1  THR  19           HG1      THR  19   1.978   2.517  -4.211
  177   1HG2  THR  19          2HG2      THR  19  -0.844   2.500  -2.966
  178   2HG2  THR  19          1HG2      THR  19  -0.063   2.824  -4.513
  179   3HG2  THR  19          3HG2      THR  19  -1.127   1.429  -4.337
  180    H    CYS  20           H        CYS  20  -1.939   0.936  -2.483
  181    HA   CYS  20           HA       CYS  20  -2.816  -1.679  -1.510
  182   1HB   CYS  20          2HB       CYS  20  -4.163   0.346  -1.250
  183   2HB   CYS  20          1HB       CYS  20  -4.173   0.594  -2.996
  184    H    VAL  21           H        VAL  21  -2.591  -3.502  -2.770
  185    HA   VAL  21           HA       VAL  21  -2.582  -3.155  -5.731
  186    HB   VAL  21           HB       VAL  21  -1.099  -4.964  -5.810
  187   1HG1  VAL  21          2HG1      VAL  21  -0.754  -3.764  -3.051
  188   2HG1  VAL  21          1HG1      VAL  21   0.411  -4.861  -3.785
  189   3HG1  VAL  21          3HG1      VAL  21   0.078  -3.301  -4.536
  190   1HG2  VAL  21          2HG2      VAL  21  -2.499  -5.892  -3.303
  191   2HG2  VAL  21          1HG2      VAL  21  -2.379  -6.710  -4.861
  192   3HG2  VAL  21          3HG2      VAL  21  -0.966  -6.599  -3.813
  193    H    ARG  22           H        ARG  22  -4.940  -3.274  -3.969
  194    HA   ARG  22           HA       ARG  22  -6.501  -5.198  -5.541
  195   1HB   ARG  22          2HB       ARG  22  -5.313  -6.452  -3.648
  196   2HB   ARG  22          1HB       ARG  22  -6.346  -5.548  -2.539
  197   1HG   ARG  22          2HG       ARG  22  -7.937  -7.109  -2.869
  198   2HG   ARG  22          1HG       ARG  22  -8.076  -6.528  -4.529
  199   1HD   ARG  22          2HD       ARG  22  -5.812  -8.114  -4.655
  200   2HD   ARG  22          1HD       ARG  22  -6.857  -9.008  -3.532
  201    HE   ARG  22           HE       ARG  22  -8.458  -9.269  -5.279
  202   1HH1  ARG  22          2HH1      ARG  22  -9.394  -7.555  -6.880
  203   2HH1  ARG  22          1HH1      ARG  22  -8.322  -7.242  -8.204
  204   1HH2  ARG  22          1HH2      ARG  22  -5.566  -8.669  -6.655
  205   2HH2  ARG  22          2HH2      ARG  22  -6.155  -7.873  -8.078
  206    H    ARG  23           H        ARG  23  -8.585  -4.390  -5.724
  207    HA   ARG  23           HA       ARG  23  -9.336  -2.158  -3.889
  208   1HB   ARG  23          2HB       ARG  23 -10.310  -2.961  -6.652
  209   2HB   ARG  23          1HB       ARG  23 -10.764  -1.497  -5.789
  210   1HG   ARG  23          2HG       ARG  23  -8.312  -0.888  -5.704
  211   2HG   ARG  23          1HG       ARG  23  -8.010  -2.248  -6.787
  212   1HD   ARG  23          2HD       ARG  23 -10.080  -0.946  -8.071
  213   2HD   ARG  23          1HD       ARG  23  -9.136   0.400  -7.401
  214    HE   ARG  23           HE       ARG  23  -7.439  -0.158  -8.938
  215   1HH1  ARG  23          2HH1      ARG  23  -9.735  -2.689  -8.672
  216   2HH1  ARG  23          1HH1      ARG  23  -8.791  -3.832  -9.567
  217   1HH2  ARG  23          1HH2      ARG  23  -6.069  -1.712  -9.915
  218   2HH2  ARG  23          2HH2      ARG  23  -6.716  -3.279 -10.272
  219    H    ALA  24           H        ALA  24  -9.748  -4.561  -2.694
  220    HA   ALA  24           HA       ALA  24 -12.282  -5.819  -3.322
  221   1HB   ALA  24          1HB       ALA  24 -10.229  -6.708  -2.051
  222   2HB   ALA  24          3HB       ALA  24 -10.828  -5.791  -0.669
  223   3HB   ALA  24          2HB       ALA  24 -11.805  -7.089  -1.357
  224    H    PHE  25           HN       PHE  25 -13.978  -4.284  -3.319
  225    HA   PHE  25           HA       PHE  25 -14.471  -2.093  -1.741
  226   1HB   PHE  25          2HB       PHE  25 -16.468  -4.276  -2.413
  227   2HB   PHE  25          1HB       PHE  25 -16.829  -2.570  -2.155
  228    HD1  PHE  25           HD2      PHE  25 -14.936  -1.056  -3.600
  229    HD2  PHE  25           HD1      PHE  25 -16.629  -4.858  -4.661
  230    HE1  PHE  25           HE2      PHE  25 -14.475  -0.593  -5.993
  231    HE2  PHE  25           HE1      PHE  25 -16.170  -4.395  -7.054
  232    HZ   PHE  25           HZ       PHE  25 -15.092  -2.263  -7.720
   
  No H/Q in entry =         232
  Start of MODEL    7
    1   1H    PHE   1          1H        PHE   1 -12.234   1.003   1.535
    2   2H    PHE   1          3H        PHE   1 -13.161   1.557   0.228
    3   3H    PHE   1          2H        PHE   1 -13.282  -0.063   0.727
    4    HA   PHE   1           HA       PHE   1 -11.916  -0.240  -1.125
    5   1HB   PHE   1          2HB       PHE   1 -11.832   2.209  -1.399
    6   2HB   PHE   1          1HB       PHE   1 -10.675   2.323  -0.073
    7    HD1  PHE   1           HD1      PHE   1 -11.196   0.977  -3.500
    8    HD2  PHE   1           HD2      PHE   1  -8.355   1.857  -0.401
    9    HE1  PHE   1           HE1      PHE   1  -9.335   0.553  -5.084
   10    HE2  PHE   1           HE2      PHE   1  -6.495   1.432  -1.984
   11    HZ   PHE   1           HZ       PHE   1  -6.985   0.779  -4.326
   12    H    LYS   2           H        LYS   2 -11.611  -0.731   1.976
   13    HA   LYS   2           HA       LYS   2  -9.004  -0.858   2.874
   14   1HB   LYS   2          2HB       LYS   2  -9.745  -2.933   4.038
   15   2HB   LYS   2          1HB       LYS   2 -10.987  -1.681   4.077
   16   1HG   LYS   2          2HG       LYS   2 -11.730  -2.871   1.804
   17   2HG   LYS   2          1HG       LYS   2 -10.934  -4.253   2.559
   18   1HD   LYS   2          2HD       LYS   2 -12.564  -2.897   4.512
   19   2HD   LYS   2          1HD       LYS   2 -13.536  -3.272   3.089
   20   1HE   LYS   2          2HE       LYS   2 -11.769  -5.292   4.517
   21   2HE   LYS   2          1HE       LYS   2 -13.523  -5.151   4.748
   22   1HZ   LYS   2          1HZ       LYS   2 -13.717  -5.311   2.274
   23   2HZ   LYS   2          3HZ       LYS   2 -12.075  -5.733   2.223
   24   3HZ   LYS   2          2HZ       LYS   2 -13.183  -6.736   3.032
   25    H    CYS   3           H        CYS   3  -7.328  -1.254   1.408
   26    HA   CYS   3           HA       CYS   3  -7.325  -3.077  -0.759
   27   1HB   CYS   3          2HB       CYS   3  -5.644  -1.230   0.285
   28   2HB   CYS   3          1HB       CYS   3  -4.820  -2.703   0.787
   29    H    ARG   4           H        ARG   4  -5.136  -4.735  -0.345
   30    HA   ARG   4           HA       ARG   4  -5.745  -6.484   1.961
   31   1HB   ARG   4          2HB       ARG   4  -6.329  -8.346   0.520
   32   2HB   ARG   4          1HB       ARG   4  -7.346  -6.968   0.102
   33   1HG   ARG   4          2HG       ARG   4  -6.664  -7.509  -2.017
   34   2HG   ARG   4          1HG       ARG   4  -5.290  -6.498  -1.569
   35   1HD   ARG   4          2HD       ARG   4  -4.529  -8.657  -2.533
   36   2HD   ARG   4          1HD       ARG   4  -4.060  -8.536  -0.826
   37    HE   ARG   4           HE       ARG   4  -5.787 -10.113  -0.267
   38   1HH1  ARG   4          2HH1      ARG   4  -8.108 -10.440  -1.154
   39   2HH1  ARG   4          1HH1      ARG   4  -8.126 -11.175  -2.723
   40   1HH2  ARG   4          1HH2      ARG   4  -4.776 -10.538  -3.351
   41   2HH2  ARG   4          2HH2      ARG   4  -6.239 -11.230  -3.966
   42    H    ARG   5           H        ARG   5  -3.718  -5.783  -0.870
   43    HA   ARG   5           HA       ARG   5  -1.499  -7.261   0.497
   44   1HB   ARG   5          2HB       ARG   5  -2.806  -7.718  -2.079
   45   2HB   ARG   5          1HB       ARG   5  -1.056  -7.555  -2.227
   46   1HG   ARG   5          2HG       ARG   5  -0.747  -9.257  -0.463
   47   2HG   ARG   5          1HG       ARG   5  -2.497  -9.434  -0.332
   48   1HD   ARG   5          2HD       ARG   5  -2.679 -10.389  -2.500
   49   2HD   ARG   5          1HD       ARG   5  -1.061  -9.831  -2.968
   50    HE   ARG   5           HE       ARG   5  -1.645 -12.114  -1.173
   51   1HH1  ARG   5          1HH2      ARG   5   0.652  -9.668  -1.696
   52   2HH1  ARG   5          2HH2      ARG   5   2.013 -10.738  -1.740
   53   1HH2  ARG   5          2HH1      ARG   5   0.090 -13.620  -1.605
   54   2HH2  ARG   5          1HH1      ARG   5   1.694 -12.975  -1.688
   55    H    TRP   6           H        TRP   6  -0.964  -4.931   1.136
   56    HA   TRP   6           HA       TRP   6  -0.226  -2.982  -0.818
   57   1HB   TRP   6          2HB       TRP   6   0.544  -3.503   2.065
   58   2HB   TRP   6          1HB       TRP   6   0.964  -2.026   1.198
   59    HD1  TRP   6           HD1      TRP   6  -2.034  -3.952   2.497
   60    HE1  TRP   6           HE1      TRP   6  -4.060  -2.356   2.549
   61    HE3  TRP   6           HE3      TRP   6   0.017   0.054   0.214
   62    HZ2  TRP   6           HZ2      TRP   6  -4.711   0.325   1.723
   63    HZ3  TRP   6           HZ3      TRP   6  -1.295   2.140  -0.157
   64    HH2  TRP   6           HH2      TRP   6  -3.658   2.274   0.595
   65    H    GLN   7           H        GLN   7   1.224  -3.821  -2.395
   66    HA   GLN   7           HA       GLN   7   3.593  -5.362  -1.569
   67   1HB   GLN   7          2HB       GLN   7   2.564  -6.050  -3.582
   68   2HB   GLN   7          1HB       GLN   7   2.363  -4.392  -4.148
   69   1HG   GLN   7          2HG       GLN   7   4.477  -4.290  -4.989
   70   2HG   GLN   7          1HG       GLN   7   5.161  -5.190  -3.635
   71   1HE2  GLN   7          2HE2      GLN   7   4.299  -7.134  -7.062
   72   2HE2  GLN   7          1HE2      GLN   7   4.176  -5.446  -6.923
   73    H    TRP   8           H        TRP   8   5.217  -4.153  -0.628
   74    HA   TRP   8           HA       TRP   8   5.746  -1.432  -0.782
   75   1HB   TRP   8          2HB       TRP   8   7.351  -3.918  -0.378
   76   2HB   TRP   8          1HB       TRP   8   8.210  -2.382  -0.511
   77    HD1  TRP   8           HD1      TRP   8   6.309  -4.449   1.861
   78    HE1  TRP   8           HE1      TRP   8   5.858  -3.162   4.040
   79    HE3  TRP   8           HE3      TRP   8   7.599   0.214   0.374
   80    HZ2  TRP   8           HZ2      TRP   8   6.033  -0.478   5.030
   81    HZ3  TRP   8           HZ3      TRP   8   7.459   2.138   1.934
   82    HH2  TRP   8           HH2      TRP   8   6.673   1.796   4.263
   83    H    ARG   9           H        ARG   9   5.652  -0.416  -2.818
   84    HA   ARG   9           HA       ARG   9   6.943  -1.559  -5.179
   85   1HB   ARG   9          2HB       ARG   9   5.572   1.039  -4.458
   86   2HB   ARG   9          1HB       ARG   9   6.287   0.783  -6.049
   87   1HG   ARG   9          2HG       ARG   9   4.859  -1.126  -6.458
   88   2HG   ARG   9          1HG       ARG   9   4.249  -1.080  -4.803
   89   1HD   ARG   9          2HD       ARG   9   2.645   0.394  -5.417
   90   2HD   ARG   9          1HD       ARG   9   3.883   1.513  -6.023
   91    HE   ARG   9           HE       ARG   9   2.293  -0.231  -7.671
   92   1HH1  ARG   9          1HH2      ARG   9   5.185   1.565  -7.370
   93   2HH1  ARG   9          2HH2      ARG   9   5.777   1.156  -8.946
   94   1HH2  ARG   9          2HH1      ARG   9   3.176  -1.028  -9.645
   95   2HH2  ARG   9          1HH1      ARG   9   4.639  -0.312 -10.233
   96    H    MET  10           H        MET  10   8.394   0.294  -6.395
   97    HA   MET  10           HA       MET  10  10.790   0.543  -4.740
   98   1HB   MET  10          2HB       MET  10  10.393   1.838  -7.422
   99   2HB   MET  10          1HB       MET  10  11.829   1.058  -6.774
  100   1HG   MET  10          2HG       MET  10  10.291  -1.093  -6.782
  101   2HG   MET  10          1HG       MET  10   9.395  -0.188  -8.003
  102   1HE   MET  10          1HE       MET  10   9.646  -0.717 -10.149
  103   2HE   MET  10          3HE       MET  10  10.566   0.788 -10.282
  104   3HE   MET  10          2HE       MET  10  11.123  -0.664 -11.108
  105    H    LYS  11           H        LYS  11  11.825   2.552  -4.230
  106    HA   LYS  11           HA       LYS  11  10.385   5.097  -4.634
  107   1HB   LYS  11          2HB       LYS  11  10.027   3.433  -2.319
  108   2HB   LYS  11          1HB       LYS  11  10.850   4.917  -1.837
  109   1HG   LYS  11          2HG       LYS  11   8.268   4.748  -3.417
  110   2HG   LYS  11          1HG       LYS  11   8.422   5.239  -1.730
  111   1HD   LYS  11          2HD       LYS  11   9.145   7.322  -2.276
  112   2HD   LYS  11          1HD       LYS  11  10.173   6.722  -3.579
  113   1HE   LYS  11          2HE       LYS  11   8.404   6.725  -5.144
  114   2HE   LYS  11          1HE       LYS  11   7.165   6.751  -3.874
  115   1HZ   LYS  11          2HZ       LYS  11   9.164   8.908  -4.037
  116   2HZ   LYS  11          1HZ       LYS  11   7.791   8.956  -5.037
  117   3HZ   LYS  11          3HZ       LYS  11   7.611   8.940  -3.351
  118    H    LYS  12           H        LYS  12  11.718   6.421  -2.495
  119    HA   LYS  12           HA       LYS  12  14.162   7.201  -3.657
  120   1HB   LYS  12          2HB       LYS  12  13.610   7.156  -0.685
  121   2HB   LYS  12          1HB       LYS  12  14.536   8.344  -1.594
  122   1HG   LYS  12          2HG       LYS  12  12.666   9.571  -1.819
  123   2HG   LYS  12          1HG       LYS  12  11.978   8.272  -2.793
  124   1HD   LYS  12          2HD       LYS  12  10.415   8.137  -1.151
  125   2HD   LYS  12          1HD       LYS  12  11.669   7.286  -0.247
  126   1HE   LYS  12          2HE       LYS  12  11.715  10.276  -0.161
  127   2HE   LYS  12          1HE       LYS  12  10.468   9.440   0.784
  128   1HZ   LYS  12          1HZ       LYS  12  12.375   7.908   1.481
  129   2HZ   LYS  12          3HZ       LYS  12  13.403   9.142   0.939
  130   3HZ   LYS  12          2HZ       LYS  12  12.301   9.447   2.196
  131    H    LEU  13           H        LEU  13  16.149   6.997  -1.770
  132    HA   LEU  13           HA       LEU  13  17.227   4.381  -2.291
  133   1HB   LEU  13          2HB       LEU  13  19.162   5.294  -1.104
  134   2HB   LEU  13          1HB       LEU  13  18.496   6.521  -2.183
  135    HG   LEU  13           HG       LEU  13  17.096   6.758   0.270
  136   1HD1  LEU  13          2HD1      LEU  13  19.754   5.736   0.663
  137   2HD1  LEU  13          1HD1      LEU  13  19.688   7.400   1.244
  138   3HD1  LEU  13          3HD1      LEU  13  18.564   6.198   1.879
  139   1HD2  LEU  13          1HD2      LEU  13  17.936   8.450  -1.552
  140   2HD2  LEU  13          3HD2      LEU  13  17.805   8.987   0.122
  141   3HD2  LEU  13          2HD2      LEU  13  19.378   8.544  -0.542
  142    H    GLY  14           H        GLY  14  17.427   2.633  -0.894
  143   1HA   GLY  14          2HA       GLY  14  16.753   1.240   0.882
  144   2HA   GLY  14          1HA       GLY  14  17.410   2.543   1.865
  145    H    ALA  15           H        ALA  15  14.519   2.486  -0.214
  146    HA   ALA  15           HA       ALA  15  12.707   2.467   2.082
  147   1HB   ALA  15          1HB       ALA  15  13.951   4.859   1.425
  148   2HB   ALA  15          3HB       ALA  15  12.388   4.985   0.619
  149   3HB   ALA  15          2HB       ALA  15  12.464   4.703   2.359
  150    HA   PRO  16           HA       PRO  16  10.616   1.110  -1.690
  151   1HB   PRO  16          2HB       PRO  16   8.998  -0.703  -0.415
  152   2HB   PRO  16          1HB       PRO  16  10.679  -1.053  -0.875
  153   1HG   PRO  16          2HG       PRO  16   9.541  -0.387   1.778
  154   2HG   PRO  16          1HG       PRO  16  10.898  -1.443   1.361
  155   1HD   PRO  16          2HD       PRO  16  11.117   1.141   2.353
  156   2HD   PRO  16          1HD       PRO  16  12.398   0.249   1.505
  157    H    SER  17           H        SER  17   8.044   0.820  -1.964
  158    HA   SER  17           HA       SER  17   6.621   2.847  -0.278
  159   1HB   SER  17          2HB       SER  17   5.645   3.233  -2.829
  160   2HB   SER  17          1HB       SER  17   6.890   4.224  -2.072
  161    HG   SER  17           HG       SER  17   7.090   2.233  -4.007
  162    H    ILE  18           H        ILE  18   5.331   1.196   0.715
  163    HA   ILE  18           HA       ILE  18   4.027  -0.876  -0.855
  164    HB   ILE  18           HB       ILE  18   4.703  -0.469   1.770
  165   1HG1  ILE  18          2HG1      ILE  18   2.550  -2.354   0.779
  166   2HG1  ILE  18          1HG1      ILE  18   4.278  -2.615   0.574
  167   1HG2  ILE  18          2HG2      ILE  18   2.777   1.057   2.118
  168   2HG2  ILE  18          1HG2      ILE  18   1.685  -0.238   1.626
  169   3HG2  ILE  18          3HG2      ILE  18   2.650  -0.407   3.094
  170   1HD1  ILE  18          3HD1      ILE  18   4.081  -2.065   3.269
  171   2HD1  ILE  18          2HD1      ILE  18   2.604  -2.976   2.960
  172   3HD1  ILE  18          1HD1      ILE  18   4.173  -3.682   2.571
  173    H    THR  19           H        THR  19   2.399  -0.409  -2.236
  174    HA   THR  19           HA       THR  19   0.472   1.770  -1.501
  175    HB   THR  19           HB       THR  19   1.199   0.628  -4.219
  176    HG1  THR  19           HG1      THR  19   2.057   2.992  -2.909
  177   1HG2  THR  19          1HG2      THR  19  -0.517   2.908  -3.261
  178   2HG2  THR  19          3HG2      THR  19   0.208   2.941  -4.869
  179   3HG2  THR  19          2HG2      THR  19  -0.908   1.648  -4.430
  180    H    CYS  20           H        CYS  20  -1.746   1.291  -2.699
  181    HA   CYS  20           HA       CYS  20  -2.692  -1.296  -1.713
  182   1HB   CYS  20          2HB       CYS  20  -3.987   0.793  -1.543
  183   2HB   CYS  20          1HB       CYS  20  -3.996   0.942  -3.301
  184    H    VAL  21           H        VAL  21  -2.663  -3.158  -2.937
  185    HA   VAL  21           HA       VAL  21  -2.512  -2.854  -5.904
  186    HB   VAL  21           HB       VAL  21  -1.090  -4.742  -5.923
  187   1HG1  VAL  21          2HG1      VAL  21  -0.635  -3.323  -3.282
  188   2HG1  VAL  21          1HG1      VAL  21   0.520  -4.432  -4.020
  189   3HG1  VAL  21          3HG1      VAL  21   0.097  -2.928  -4.838
  190   1HG2  VAL  21          1HG2      VAL  21  -2.336  -5.397  -3.244
  191   2HG2  VAL  21          3HG2      VAL  21  -2.422  -6.334  -4.736
  192   3HG2  VAL  21          2HG2      VAL  21  -0.902  -6.225  -3.850
  193    H    ARG  22           H        ARG  22  -4.843  -3.036  -4.036
  194    HA   ARG  22           HA       ARG  22  -6.464  -4.844  -5.670
  195   1HB   ARG  22          2HB       ARG  22  -5.152  -6.156  -3.814
  196   2HB   ARG  22          1HB       ARG  22  -6.353  -5.458  -2.725
  197   1HG   ARG  22          2HG       ARG  22  -7.885  -6.962  -3.390
  198   2HG   ARG  22          1HG       ARG  22  -7.677  -6.471  -5.070
  199   1HD   ARG  22          2HD       ARG  22  -6.090  -8.571  -3.561
  200   2HD   ARG  22          1HD       ARG  22  -7.092  -8.800  -5.008
  201    HE   ARG  22           HE       ARG  22  -4.430  -7.504  -4.940
  202   1HH1  ARG  22          2HH1      ARG  22  -7.432  -7.747  -6.579
  203   2HH1  ARG  22          1HH1      ARG  22  -6.732  -7.702  -8.163
  204   1HH2  ARG  22          1HH2      ARG  22  -3.464  -7.674  -7.007
  205   2HH2  ARG  22          2HH2      ARG  22  -4.486  -7.662  -8.405
  206    H    ARG  23           H        ARG  23  -8.684  -4.299  -5.484
  207    HA   ARG  23           HA       ARG  23  -9.302  -2.103  -3.540
  208   1HB   ARG  23          2HB       ARG  23 -11.030  -1.572  -5.406
  209   2HB   ARG  23          1HB       ARG  23  -9.338  -1.205  -5.733
  210   1HG   ARG  23          2HG       ARG  23  -9.075  -3.205  -7.038
  211   2HG   ARG  23          1HG       ARG  23 -10.647  -3.817  -6.525
  212   1HD   ARG  23          2HD       ARG  23 -11.772  -1.957  -7.700
  213   2HD   ARG  23          1HD       ARG  23 -10.194  -1.331  -8.216
  214    HE   ARG  23           HE       ARG  23 -10.106  -3.062  -9.818
  215   1HH1  ARG  23          1HH2      ARG  23 -10.028  -5.521  -8.565
  216   2HH1  ARG  23          2HH2      ARG  23 -11.603  -6.222  -8.737
  217   1HH2  ARG  23          2HH1      ARG  23 -13.148  -3.213  -9.502
  218   2HH2  ARG  23          1HH1      ARG  23 -13.369  -4.915  -9.268
  219    H    ALA  24           H        ALA  24  -9.698  -4.473  -2.398
  220    HA   ALA  24           HA       ALA  24 -12.117  -5.885  -3.028
  221   1HB   ALA  24          1HB       ALA  24 -10.048  -6.426  -1.515
  222   2HB   ALA  24          3HB       ALA  24 -10.966  -5.594  -0.259
  223   3HB   ALA  24          2HB       ALA  24 -11.632  -7.032  -1.032
  224    H    PHE  25           HN       PHE  25 -13.883  -4.435  -3.271
  225    HA   PHE  25           HA       PHE  25 -14.632  -2.196  -1.871
  226   1HB   PHE  25          2HB       PHE  25 -16.055  -4.518  -3.087
  227   2HB   PHE  25          1HB       PHE  25 -17.022  -3.399  -2.125
  228    HD1  PHE  25           HD2      PHE  25 -15.719  -0.821  -2.605
  229    HD2  PHE  25           HD1      PHE  25 -16.539  -4.033  -5.338
  230    HE1  PHE  25           HE2      PHE  25 -15.739   0.790  -4.491
  231    HE2  PHE  25           HE1      PHE  25 -16.559  -2.422  -7.224
  232    HZ   PHE  25           HZ       PHE  25 -16.158  -0.012  -6.801
   
  No H/Q in entry =         232
  Start of MODEL    8
    1   1H    PHE   1          2H        PHE   1  -9.942   2.466   3.012
    2   2H    PHE   1          1H        PHE   1 -10.385   3.575   1.803
    3   3H    PHE   1          3H        PHE   1 -11.470   2.358   2.275
    4    HA   PHE   1           HA       PHE   1 -10.570   1.608   0.240
    5   1HB   PHE   1          2HB       PHE   1  -8.672   3.411   0.764
    6   2HB   PHE   1          1HB       PHE   1  -7.783   1.975   1.273
    7    HD1  PHE   1           HD1      PHE   1  -9.075  -0.004  -0.639
    8    HD2  PHE   1           HD2      PHE   1  -7.478   3.937  -1.247
    9    HE1  PHE   1           HE1      PHE   1  -8.608  -0.558  -3.011
   10    HE2  PHE   1           HE2      PHE   1  -7.011   3.382  -3.619
   11    HZ   PHE   1           HZ       PHE   1  -7.577   1.135  -4.501
   12    H    LYS   2           H        LYS   2 -11.127  -0.516   0.648
   13    HA   LYS   2           HA       LYS   2  -9.719  -2.010   2.802
   14   1HB   LYS   2          2HB       LYS   2 -12.272  -2.159   1.283
   15   2HB   LYS   2          1HB       LYS   2 -11.578  -3.701   1.786
   16   1HG   LYS   2          2HG       LYS   2 -11.739  -3.188   4.057
   17   2HG   LYS   2          1HG       LYS   2 -11.762  -1.448   3.764
   18   1HD   LYS   2          2HD       LYS   2 -14.001  -1.909   4.301
   19   2HD   LYS   2          1HD       LYS   2 -14.011  -1.922   2.537
   20   1HE   LYS   2          2HE       LYS   2 -15.137  -3.925   3.019
   21   2HE   LYS   2          1HE       LYS   2 -13.465  -4.502   2.874
   22   1HZ   LYS   2          3HZ       LYS   2 -13.346  -3.804   5.353
   23   2HZ   LYS   2          2HZ       LYS   2 -15.036  -3.967   5.305
   24   3HZ   LYS   2          1HZ       LYS   2 -14.041  -5.295   4.942
   25    H    CYS   3           H        CYS   3  -7.664  -2.287   1.676
   26    HA   CYS   3           HA       CYS   3  -7.627  -3.655  -0.935
   27   1HB   CYS   3          2HB       CYS   3  -6.015  -1.873   0.272
   28   2HB   CYS   3          1HB       CYS   3  -5.209  -3.356   0.775
   29    H    ARG   4           H        ARG   4  -5.394  -5.299  -0.493
   30    HA   ARG   4           HA       ARG   4  -6.182  -7.263   1.586
   31   1HB   ARG   4          2HB       ARG   4  -7.567  -7.995  -0.170
   32   2HB   ARG   4          1HB       ARG   4  -6.367  -7.601  -1.398
   33   1HG   ARG   4          2HG       ARG   4  -5.712  -9.674   0.670
   34   2HG   ARG   4          1HG       ARG   4  -6.741 -10.112  -0.694
   35   1HD   ARG   4          2HD       ARG   4  -4.812  -8.851  -2.070
   36   2HD   ARG   4          1HD       ARG   4  -3.846  -9.374  -0.674
   37    HE   ARG   4           HE       ARG   4  -5.547 -11.284  -2.237
   38   1HH1  ARG   4          2HH1      ARG   4  -3.574 -11.232   0.402
   39   2HH1  ARG   4          1HH1      ARG   4  -2.427 -12.395  -0.175
   40   1HH2  ARG   4          1HH2      ARG   4  -3.685 -12.427  -3.406
   41   2HH2  ARG   4          2HH2      ARG   4  -2.490 -13.071  -2.330
   42    H    ARG   5           H        ARG   5  -3.876  -6.264  -0.927
   43    HA   ARG   5           HA       ARG   5  -1.729  -7.597   0.662
   44   1HB   ARG   5          2HB       ARG   5  -2.817  -8.400  -1.898
   45   2HB   ARG   5          1HB       ARG   5  -1.104  -8.010  -2.050
   46   1HG   ARG   5          2HG       ARG   5  -2.175  -9.790   0.149
   47   2HG   ARG   5          1HG       ARG   5  -1.637 -10.423  -1.407
   48   1HD   ARG   5          2HD       ARG   5   0.490  -8.842  -0.790
   49   2HD   ARG   5          1HD       ARG   5  -0.027  -9.333   0.836
   50    HE   ARG   5           HE       ARG   5   0.279 -11.654   0.193
   51   1HH1  ARG   5          1HH2      ARG   5   0.036 -10.057  -2.722
   52   2HH1  ARG   5          2HH2      ARG   5   1.374 -10.852  -3.483
   53   1HH2  ARG   5          2HH1      ARG   5   2.462 -12.386  -0.571
   54   2HH2  ARG   5          1HH1      ARG   5   2.747 -12.170  -2.266
   55    H    TRP   6           H        TRP   6  -1.268  -5.262   1.190
   56    HA   TRP   6           HA       TRP   6  -0.546  -3.357  -0.816
   57   1HB   TRP   6          2HB       TRP   6   0.159  -3.734   2.106
   58   2HB   TRP   6          1HB       TRP   6   0.537  -2.274   1.192
   59    HD1  TRP   6           HD1      TRP   6  -2.387  -4.261   2.537
   60    HE1  TRP   6           HE1      TRP   6  -4.491  -2.772   2.454
   61    HE3  TRP   6           HE3      TRP   6  -0.499  -0.303   0.034
   62    HZ2  TRP   6           HZ2      TRP   6  -5.261  -0.186   1.450
   63    HZ3  TRP   6           HZ3      TRP   6  -1.908   1.683  -0.489
   64    HH2  TRP   6           HH2      TRP   6  -4.289   1.741   0.218
   65    H    GLN   7           H        GLN   7   1.016  -4.124  -2.312
   66    HA   GLN   7           HA       GLN   7   3.412  -5.549  -1.334
   67   1HB   GLN   7          2HB       GLN   7   2.470  -6.385  -3.339
   68   2HB   GLN   7          1HB       GLN   7   2.235  -4.768  -4.002
   69   1HG   GLN   7          2HG       GLN   7   4.722  -4.493  -4.089
   70   2HG   GLN   7          1HG       GLN   7   4.888  -6.168  -3.560
   71   1HE2  GLN   7          2HE2      GLN   7   4.033  -5.371  -7.437
   72   2HE2  GLN   7          1HE2      GLN   7   4.290  -4.128  -6.311
   73    H    TRP   8           H        TRP   8   5.034  -4.283  -0.497
   74    HA   TRP   8           HA       TRP   8   5.412  -1.526  -0.750
   75   1HB   TRP   8          2HB       TRP   8   7.126  -3.909  -0.187
   76   2HB   TRP   8          1HB       TRP   8   7.904  -2.335  -0.360
   77    HD1  TRP   8           HD1      TRP   8   6.032  -4.402   2.041
   78    HE1  TRP   8           HE1      TRP   8   5.445  -3.050   4.146
   79    HE3  TRP   8           HE3      TRP   8   7.136   0.253   0.395
   80    HZ2  TRP   8           HZ2      TRP   8   5.453  -0.322   5.024
   81    HZ3  TRP   8           HZ3      TRP   8   6.850   2.231   1.864
   82    HH2  TRP   8           HH2      TRP   8   6.004   1.948   4.179
   83    H    ARG   9           H        ARG   9   5.415  -0.546  -2.781
   84    HA   ARG   9           HA       ARG   9   6.705  -1.770  -5.102
   85   1HB   ARG   9          2HB       ARG   9   5.396   0.883  -4.464
   86   2HB   ARG   9          1HB       ARG   9   6.079   0.535  -6.051
   87   1HG   ARG   9          2HG       ARG   9   4.636  -1.546  -6.109
   88   2HG   ARG   9          1HG       ARG   9   3.839  -0.947  -4.654
   89   1HD   ARG   9          2HD       ARG   9   2.459  -0.128  -6.394
   90   2HD   ARG   9          1HD       ARG   9   3.517   1.256  -6.054
   91    HE   ARG   9           HE       ARG   9   4.954  -0.197  -7.911
   92   1HH1  ARG   9          2HH1      ARG   9   1.624  -0.231  -8.100
   93   2HH1  ARG   9          1HH1      ARG   9   1.517   0.557  -9.639
   94   1HH2  ARG   9          1HH2      ARG   9   4.883   1.380  -9.752
   95   2HH2  ARG   9          2HH2      ARG   9   3.362   1.469 -10.574
   96    H    MET  10           H        MET  10   8.207  -0.031  -6.365
   97    HA   MET  10           HA       MET  10  10.563   0.322  -4.651
   98   1HB   MET  10          2HB       MET  10  10.292   1.296  -7.482
   99   2HB   MET  10          1HB       MET  10  11.689   0.579  -6.689
  100   1HG   MET  10          2HG       MET  10  10.116  -1.537  -6.504
  101   2HG   MET  10          1HG       MET  10   9.283  -0.772  -7.857
  102   1HE   MET  10          2HE       MET  10  10.818   0.682  -9.319
  103   2HE   MET  10          1HE       MET  10  12.550   0.639  -8.997
  104   3HE   MET  10          3HE       MET  10  11.895  -0.155 -10.436
  105    H    LYS  11           H        LYS  11  11.626   2.376  -4.360
  106    HA   LYS  11           HA       LYS  11  10.274   4.869  -5.133
  107   1HB   LYS  11          2HB       LYS  11   9.692   3.487  -2.681
  108   2HB   LYS  11          1HB       LYS  11  10.493   5.012  -2.310
  109   1HG   LYS  11          2HG       LYS  11   8.705   5.670  -4.346
  110   2HG   LYS  11          1HG       LYS  11   7.803   4.548  -3.328
  111   1HD   LYS  11          2HD       LYS  11   7.392   6.367  -2.033
  112   2HD   LYS  11          1HD       LYS  11   9.040   6.128  -1.452
  113   1HE   LYS  11          2HE       LYS  11   9.545   8.183  -2.266
  114   2HE   LYS  11          1HE       LYS  11   9.270   7.544  -3.899
  115   1HZ   LYS  11          2HZ       LYS  11   6.868   7.901  -3.541
  116   2HZ   LYS  11          1HZ       LYS  11   7.219   8.665  -2.063
  117   3HZ   LYS  11          3HZ       LYS  11   7.754   9.351  -3.519
  118    H    LYS  12           H        LYS  12  11.459   6.399  -3.036
  119    HA   LYS  12           HA       LYS  12  13.993   7.038  -4.067
  120   1HB   LYS  12          2HB       LYS  12  13.212   7.274  -1.156
  121   2HB   LYS  12          1HB       LYS  12  14.235   8.360  -2.091
  122   1HG   LYS  12          2HG       LYS  12  11.778   8.207  -3.482
  123   2HG   LYS  12          1HG       LYS  12  11.370   8.419  -1.779
  124   1HD   LYS  12          2HD       LYS  12  11.660  10.605  -2.874
  125   2HD   LYS  12          1HD       LYS  12  12.911  10.351  -1.657
  126   1HE   LYS  12          2HE       LYS  12  14.512   9.678  -3.393
  127   2HE   LYS  12          1HE       LYS  12  13.257   9.852  -4.636
  128   1HZ   LYS  12          2HZ       LYS  12  12.944  12.174  -3.723
  129   2HZ   LYS  12          1HZ       LYS  12  14.417  11.959  -2.906
  130   3HZ   LYS  12          3HZ       LYS  12  14.374  11.906  -4.600
  131    H    LEU  13           H        LEU  13  15.825   7.005  -2.021
  132    HA   LEU  13           HA       LEU  13  16.943   4.369  -2.229
  133   1HB   LEU  13          2HB       LEU  13  18.758   5.386  -0.944
  134   2HB   LEU  13          1HB       LEU  13  18.188   6.522  -2.167
  135    HG   LEU  13           HG       LEU  13  16.559   6.961   0.088
  136   1HD1  LEU  13          2HD1      LEU  13  18.857   5.726   1.005
  137   2HD1  LEU  13          1HD1      LEU  13  19.257   7.437   1.145
  138   3HD1  LEU  13          3HD1      LEU  13  17.830   6.797   1.958
  139   1HD2  LEU  13          2HD2      LEU  13  17.842   8.455  -1.748
  140   2HD2  LEU  13          1HD2      LEU  13  17.240   9.137  -0.238
  141   3HD2  LEU  13          3HD2      LEU  13  18.940   8.692  -0.388
  142    H    GLY  14           H        GLY  14  16.892   2.697  -0.768
  143   1HA   GLY  14          2HA       GLY  14  16.056   1.431   1.033
  144   2HA   GLY  14          1HA       GLY  14  16.745   2.742   1.985
  145    H    ALA  15           H        ALA  15  13.927   2.702  -0.200
  146    HA   ALA  15           HA       ALA  15  12.068   2.953   2.057
  147   1HB   ALA  15          3HB       ALA  15  13.148   5.190   1.854
  148   2HB   ALA  15          2HB       ALA  15  12.562   5.291   0.193
  149   3HB   ALA  15          1HB       ALA  15  11.415   5.247   1.531
  150    HA   PRO  16           HA       PRO  16  10.119   1.214  -1.673
  151   1HB   PRO  16          2HB       PRO  16   8.617  -0.619  -0.283
  152   2HB   PRO  16          1HB       PRO  16  10.309  -0.901  -0.750
  153   1HG   PRO  16          2HG       PRO  16   9.178  -0.100   1.880
  154   2HG   PRO  16          1HG       PRO  16  10.535  -1.177   1.514
  155   1HD   PRO  16          2HD       PRO  16  10.809   1.430   2.351
  156   2HD   PRO  16          1HD       PRO  16  12.031   0.539   1.417
  157    H    SER  17           H        SER  17   7.595   0.846  -1.966
  158    HA   SER  17           HA       SER  17   6.050   2.795  -0.299
  159   1HB   SER  17          2HB       SER  17   6.866   2.946  -3.098
  160   2HB   SER  17          1HB       SER  17   5.117   3.053  -2.923
  161    HG   SER  17           HG       SER  17   5.729   4.603  -1.137
  162    H    ILE  18           H        ILE  18   4.798   1.126   0.675
  163    HA   ILE  18           HA       ILE  18   3.665  -1.057  -0.869
  164    HB   ILE  18           HB       ILE  18   4.220  -0.548   1.757
  165   1HG1  ILE  18          2HG1      ILE  18   2.142  -2.531   0.802
  166   2HG1  ILE  18          1HG1      ILE  18   3.877  -2.742   0.592
  167   1HG2  ILE  18          1HG2      ILE  18   1.219  -0.301   1.436
  168   2HG2  ILE  18          3HG2      ILE  18   2.038  -0.612   2.966
  169   3HG2  ILE  18          2HG2      ILE  18   2.306   0.909   2.115
  170   1HD1  ILE  18          3HD1      ILE  18   3.649  -2.108   3.279
  171   2HD1  ILE  18          2HD1      ILE  18   2.233  -3.117   2.986
  172   3HD1  ILE  18          1HD1      ILE  18   3.844  -3.735   2.626
  173    H    THR  19           H        THR  19   2.087  -0.715  -2.339
  174    HA   THR  19           HA       THR  19   0.044   1.409  -1.796
  175    HB   THR  19           HB       THR  19   0.827   0.065  -4.403
  176    HG1  THR  19           HG1      THR  19   2.083   1.914  -4.729
  177   1HG2  THR  19          1HG2      THR  19  -1.013   2.267  -3.595
  178   2HG2  THR  19          3HG2      THR  19  -0.117   2.470  -5.100
  179   3HG2  THR  19          2HG2      THR  19  -1.180   1.079  -4.888
  180    H    CYS  20           H        CYS  20  -2.146   0.774  -2.914
  181    HA   CYS  20           HA       CYS  20  -2.995  -1.785  -1.780
  182   1HB   CYS  20          2HB       CYS  20  -4.355   0.273  -1.712
  183   2HB   CYS  20          1HB       CYS  20  -4.399   0.310  -3.474
  184    H    VAL  21           H        VAL  21  -2.825  -3.701  -2.903
  185    HA   VAL  21           HA       VAL  21  -2.791  -3.553  -5.886
  186    HB   VAL  21           HB       VAL  21  -1.205  -5.282  -5.864
  187   1HG1  VAL  21          2HG1      VAL  21  -0.854  -3.867  -3.206
  188   2HG1  VAL  21          1HG1      VAL  21   0.382  -4.860  -3.976
  189   3HG1  VAL  21          3HG1      VAL  21  -0.172  -3.380  -4.758
  190   1HG2  VAL  21          2HG2      VAL  21  -2.451  -6.050  -3.219
  191   2HG2  VAL  21          1HG2      VAL  21  -2.375  -6.997  -4.705
  192   3HG2  VAL  21          3HG2      VAL  21  -0.914  -6.731  -3.754
  193    H    ARG  22           H        ARG  22  -5.083  -3.733  -4.015
  194    HA   ARG  22           HA       ARG  22  -6.570  -5.817  -5.443
  195   1HB   ARG  22          2HB       ARG  22  -5.217  -6.910  -3.555
  196   2HB   ARG  22          1HB       ARG  22  -6.278  -6.047  -2.440
  197   1HG   ARG  22          2HG       ARG  22  -7.749  -7.739  -2.658
  198   2HG   ARG  22          1HG       ARG  22  -7.999  -7.220  -4.325
  199   1HD   ARG  22          2HD       ARG  22  -5.577  -8.882  -3.797
  200   2HD   ARG  22          1HD       ARG  22  -7.149  -9.704  -3.744
  201    HE   ARG  22           HE       ARG  22  -6.104  -8.185  -6.095
  202   1HH1  ARG  22          2HH1      ARG  22  -9.133  -8.832  -5.113
  203   2HH1  ARG  22          1HH1      ARG  22  -9.537  -9.972  -6.352
  204   1HH2  ARG  22          1HH2      ARG  22  -6.276 -10.304  -7.480
  205   2HH2  ARG  22          2HH2      ARG  22  -7.920 -10.806  -7.692
  206    H    ARG  23           H        ARG  23  -8.012  -4.064  -5.977
  207    HA   ARG  23           HA       ARG  23  -9.156  -2.387  -3.871
  208   1HB   ARG  23          2HB       ARG  23  -9.757  -2.842  -6.812
  209   2HB   ARG  23          1HB       ARG  23 -10.531  -1.595  -5.834
  210   1HG   ARG  23          2HG       ARG  23  -8.302  -0.638  -5.315
  211   2HG   ARG  23          1HG       ARG  23  -7.555  -1.859  -6.345
  212   1HD   ARG  23          2HD       ARG  23  -8.009  -0.647  -8.206
  213   2HD   ARG  23          1HD       ARG  23  -9.716  -0.490  -7.745
  214    HE   ARG  23           HE       ARG  23  -8.943   1.359  -6.176
  215   1HH1  ARG  23          1HH1      ARG  23  -5.708   2.474  -7.538
  216   2HH1  ARG  23          2HH1      ARG  23  -6.127   1.436  -6.217
  217   1HH2  ARG  23          1HH2      ARG  23  -8.821   2.250  -9.048
  218   2HH2  ARG  23          2HH2      ARG  23  -7.233   2.935  -9.142
  219    H    ALA  24           H        ALA  24  -9.697  -4.792  -2.894
  220    HA   ALA  24           HA       ALA  24 -12.183  -5.961  -3.903
  221   1HB   ALA  24          2HB       ALA  24 -10.253  -6.360  -1.643
  222   2HB   ALA  24          1HB       ALA  24 -11.843  -7.117  -1.533
  223   3HB   ALA  24          3HB       ALA  24 -10.772  -7.506  -2.880
  224    H    PHE  25           HN       PHE  25 -13.337  -3.753  -3.739
  225    HA   PHE  25           HA       PHE  25 -13.922  -2.267  -1.505
  226   1HB   PHE  25          2HB       PHE  25 -15.943  -3.363  -3.486
  227   2HB   PHE  25          1HB       PHE  25 -16.072  -1.852  -2.587
  228    HD1  PHE  25           HD1      PHE  25 -13.511  -0.596  -2.760
  229    HD2  PHE  25           HD2      PHE  25 -15.555  -2.915  -5.744
  230    HE1  PHE  25           HE1      PHE  25 -12.241   0.574  -4.540
  231    HE2  PHE  25           HE2      PHE  25 -14.285  -1.744  -7.523
  232    HZ   PHE  25           HZ       PHE  25 -12.627   0.000  -6.921
   
  No H/Q in entry =         232
  Start of MODEL    9
    1   1H    PHE   1          1H        PHE   1  -9.833   2.820   0.738
    2   2H    PHE   1          3H        PHE   1 -11.242   3.387  -0.017
    3   3H    PHE   1          2H        PHE   1 -11.275   2.956   1.625
    4    HA   PHE   1           HA       PHE   1 -12.279   1.154   0.495
    5   1HB   PHE   1          2HB       PHE   1 -11.123   0.222  -1.511
    6   2HB   PHE   1          1HB       PHE   1 -11.541   1.923  -1.717
    7    HD1  PHE   1           HD2      PHE   1  -8.746  -0.302  -0.598
    8    HD2  PHE   1           HD1      PHE   1  -9.880   3.487  -2.272
    9    HE1  PHE   1           HE2      PHE   1  -6.357   0.241  -0.989
   10    HE2  PHE   1           HE1      PHE   1  -7.493   4.031  -2.663
   11    HZ   PHE   1           HZ       PHE   1  -5.731   2.407  -2.022
   12    H    LYS   2           H        LYS   2 -11.291  -1.222   0.286
   13    HA   LYS   2           HA       LYS   2  -9.156  -1.475   2.382
   14   1HB   LYS   2          2HB       LYS   2 -11.519  -3.248   1.672
   15   2HB   LYS   2          1HB       LYS   2 -10.342  -3.597   2.939
   16   1HG   LYS   2          2HG       LYS   2 -11.001  -1.140   3.731
   17   2HG   LYS   2          1HG       LYS   2 -12.492  -1.521   2.868
   18   1HD   LYS   2          2HD       LYS   2 -12.765  -2.207   5.176
   19   2HD   LYS   2          1HD       LYS   2 -12.626  -3.660   4.184
   20   1HE   LYS   2          2HE       LYS   2 -11.071  -4.210   5.808
   21   2HE   LYS   2          1HE       LYS   2 -10.004  -3.257   4.759
   22   1HZ   LYS   2          2HZ       LYS   2 -11.166  -1.311   6.114
   23   2HZ   LYS   2          1HZ       LYS   2 -11.238  -2.526   7.299
   24   3HZ   LYS   2          3HZ       LYS   2  -9.742  -2.063   6.652
   25    H    CYS   3           H        CYS   3  -7.371  -1.694   0.947
   26    HA   CYS   3           HA       CYS   3  -7.320  -3.239  -1.452
   27   1HB   CYS   3          2HB       CYS   3  -5.662  -1.540  -0.184
   28   2HB   CYS   3          1HB       CYS   3  -4.901  -3.063   0.274
   29    H    ARG   4           H        ARG   4  -5.123  -4.951  -1.026
   30    HA   ARG   4           HA       ARG   4  -5.915  -6.931   1.017
   31   1HB   ARG   4          2HB       ARG   4  -7.459  -7.596  -0.609
   32   2HB   ARG   4          1HB       ARG   4  -6.385  -7.168  -1.939
   33   1HG   ARG   4          2HG       ARG   4  -5.599  -9.364  -0.042
   34   2HG   ARG   4          1HG       ARG   4  -6.742  -9.698  -1.344
   35   1HD   ARG   4          2HD       ARG   4  -4.828  -8.332  -2.726
   36   2HD   ARG   4          1HD       ARG   4  -3.835  -9.144  -1.500
   37    HE   ARG   4           HE       ARG   4  -5.872 -10.718  -3.012
   38   1HH1  ARG   4          1HH2      ARG   4  -4.269 -12.330  -1.268
   39   2HH1  ARG   4          2HH2      ARG   4  -2.912 -12.804  -2.234
   40   1HH2  ARG   4          2HH1      ARG   4  -3.409 -10.337  -4.619
   41   2HH2  ARG   4          1HH1      ARG   4  -2.425 -11.676  -4.131
   42    H    ARG   5           H        ARG   5  -3.754  -6.028  -1.656
   43    HA   ARG   5           HA       ARG   5  -1.608  -7.613  -0.297
   44   1HB   ARG   5          2HB       ARG   5  -2.882  -8.053  -2.835
   45   2HB   ARG   5          1HB       ARG   5  -1.184  -7.656  -3.103
   46   1HG   ARG   5          2HG       ARG   5  -2.101  -9.716  -1.083
   47   2HG   ARG   5          1HG       ARG   5  -1.649 -10.121  -2.738
   48   1HD   ARG   5          2HD       ARG   5   0.492 -10.257  -1.991
   49   2HD   ARG   5          1HD       ARG   5   0.446  -8.492  -1.802
   50    HE   ARG   5           HE       ARG   5  -0.469  -8.904   0.514
   51   1HH1  ARG   5          2HH1      ARG   5  -0.966 -10.999   1.743
   52   2HH1  ARG   5          1HH1      ARG   5   0.397 -12.060   1.871
   53   1HH2  ARG   5          1HH2      ARG   5   2.221 -10.445  -0.598
   54   2HH2  ARG   5          2HH2      ARG   5   2.202 -11.746   0.547
   55    H    TRP   6           H        TRP   6  -1.034  -5.354   0.496
   56    HA   TRP   6           HA       TRP   6  -0.222  -3.287  -1.298
   57   1HB   TRP   6          2HB       TRP   6   0.524  -4.024   1.550
   58   2HB   TRP   6          1HB       TRP   6   0.923  -2.481   0.794
   59    HD1  TRP   6           HD1      TRP   6  -2.123  -4.583   1.738
   60    HE1  TRP   6           HE1      TRP   6  -4.133  -2.995   2.018
   61    HE3  TRP   6           HE3      TRP   6   0.044  -0.265   0.301
   62    HZ2  TRP   6           HZ2      TRP   6  -4.728  -0.198   1.683
   63    HZ3  TRP   6           HZ3      TRP   6  -1.231   1.876   0.281
   64    HH2  TRP   6           HH2      TRP   6  -3.616   1.909   0.970
   65    H    GLN   7           H        GLN   7   1.221  -4.124  -2.911
   66    HA   GLN   7           HA       GLN   7   3.552  -5.734  -2.119
   67   1HB   GLN   7          2HB       GLN   7   2.563  -6.307  -4.183
   68   2HB   GLN   7          1HB       GLN   7   2.376  -4.621  -4.664
   69   1HG   GLN   7          2HG       GLN   7   4.219  -5.697  -5.907
   70   2HG   GLN   7          1HG       GLN   7   4.825  -4.404  -4.871
   71   1HE2  GLN   7          2HE2      GLN   7   7.166  -6.992  -3.971
   72   2HE2  GLN   7          1HE2      GLN   7   6.934  -5.708  -5.058
   73    H    TRP   8           H        TRP   8   5.075  -4.517  -0.984
   74    HA   TRP   8           HA       TRP   8   5.677  -1.831  -1.034
   75   1HB   TRP   8          2HB       TRP   8   7.271  -4.339  -0.727
   76   2HB   TRP   8          1HB       TRP   8   8.119  -2.790  -0.734
   77    HD1  TRP   8           HD1      TRP   8   6.140  -5.009   1.424
   78    HE1  TRP   8           HE1      TRP   8   5.603  -3.873   3.665
   79    HE3  TRP   8           HE3      TRP   8   7.471  -0.265   0.301
   80    HZ2  TRP   8           HZ2      TRP   8   5.730  -1.261   4.836
   81    HZ3  TRP   8           HZ3      TRP   8   7.263   1.555   1.977
   82    HH2  TRP   8           HH2      TRP   8   6.390   1.059   4.246
   83    H    ARG   9           H        ARG   9   5.707  -0.661  -2.958
   84    HA   ARG   9           HA       ARG   9   6.945  -1.705  -5.392
   85   1HB   ARG   9          2HB       ARG   9   5.766   0.940  -4.505
   86   2HB   ARG   9          1HB       ARG   9   6.400   0.683  -6.130
   87   1HG   ARG   9          2HG       ARG   9   4.827  -1.490  -5.951
   88   2HG   ARG   9          1HG       ARG   9   3.947  -0.423  -4.857
   89   1HD   ARG   9          2HD       ARG   9   3.061  -0.100  -7.107
   90   2HD   ARG   9          1HD       ARG   9   4.005   1.343  -6.684
   91    HE   ARG   9           HE       ARG   9   5.950  -0.023  -7.841
   92   1HH1  ARG   9          2HH1      ARG   9   4.665  -2.180  -9.107
   93   2HH1  ARG   9          1HH1      ARG   9   4.045  -1.549 -10.596
   94   1HH2  ARG   9          1HH2      ARG   9   4.266   1.764  -9.591
   95   2HH2  ARG   9          2HH2      ARG   9   3.819   0.684 -10.870
   96    H    MET  10           H        MET  10   8.536   0.037  -6.490
   97    HA   MET  10           HA       MET  10  10.909   0.121  -4.790
   98   1HB   MET  10          2HB       MET  10  10.609   1.500  -7.447
   99   2HB   MET  10          1HB       MET  10  12.005   0.650  -6.797
  100   1HG   MET  10          2HG       MET  10  10.442  -1.452  -6.882
  101   2HG   MET  10          1HG       MET  10   9.514  -0.491  -8.033
  102   1HE   MET  10          2HE       MET  10  10.626   0.919  -9.765
  103   2HE   MET  10          1HE       MET  10  11.713   0.190 -10.945
  104   3HE   MET  10          3HE       MET  10  10.124  -0.526 -10.640
  105    H    LYS  11           H        LYS  11  12.049   2.092  -4.246
  106    HA   LYS  11           HA       LYS  11  10.674   4.681  -4.587
  107   1HB   LYS  11          2HB       LYS  11   9.946   3.090  -2.485
  108   2HB   LYS  11          1HB       LYS  11  11.257   4.021  -1.760
  109   1HG   LYS  11          2HG       LYS  11   9.030   5.122  -1.492
  110   2HG   LYS  11          1HG       LYS  11  10.180   6.115  -2.390
  111   1HD   LYS  11          2HD       LYS  11   9.103   5.767  -4.424
  112   2HD   LYS  11          1HD       LYS  11   8.378   4.248  -3.897
  113   1HE   LYS  11          2HE       LYS  11   6.497   5.562  -3.685
  114   2HE   LYS  11          1HE       LYS  11   7.231   5.978  -2.124
  115   1HZ   LYS  11          1HZ       LYS  11   8.515   7.718  -3.379
  116   2HZ   LYS  11          3HZ       LYS  11   7.481   7.437  -4.694
  117   3HZ   LYS  11          2HZ       LYS  11   6.849   8.016  -3.228
  118    H    LYS  12           H        LYS  12  12.024   6.433  -3.404
  119    HA   LYS  12           HA       LYS  12  14.803   6.150  -4.157
  120   1HB   LYS  12          2HB       LYS  12  13.664   8.226  -2.286
  121   2HB   LYS  12          1HB       LYS  12  14.939   8.417  -3.486
  122   1HG   LYS  12          2HG       LYS  12  13.377   9.149  -4.933
  123   2HG   LYS  12          1HG       LYS  12  12.689   7.524  -4.926
  124   1HD   LYS  12          2HD       LYS  12  10.887   8.221  -3.769
  125   2HD   LYS  12          1HD       LYS  12  11.905   8.973  -2.540
  126   1HE   LYS  12          2HE       LYS  12  12.257  10.848  -4.349
  127   2HE   LYS  12          1HE       LYS  12  10.761  10.191  -5.043
  128   1HZ   LYS  12          2HZ       LYS  12  11.124  10.957  -2.194
  129   2HZ   LYS  12          1HZ       LYS  12  10.317  11.900  -3.354
  130   3HZ   LYS  12          3HZ       LYS  12   9.690  10.390  -2.907
  131    H    LEU  13           H        LEU  13  16.228   7.276  -2.102
  132    HA   LEU  13           HA       LEU  13  16.989   5.143  -0.464
  133   1HB   LEU  13          2HB       LEU  13  18.189   6.860   0.782
  134   2HB   LEU  13          1HB       LEU  13  18.202   7.288  -0.929
  135    HG   LEU  13           HG       LEU  13  15.837   8.323   0.429
  136   1HD1  LEU  13          1HD1      LEU  13  17.888   8.301   2.160
  137   2HD1  LEU  13          3HD1      LEU  13  18.323   9.752   1.257
  138   3HD1  LEU  13          2HD1      LEU  13  16.760   9.654   2.070
  139   1HD2  LEU  13          3HD2      LEU  13  17.866   9.096  -1.549
  140   2HD2  LEU  13          2HD2      LEU  13  16.161   9.540  -1.459
  141   3HD2  LEU  13          1HD2      LEU  13  17.356  10.436  -0.522
  142    H    GLY  14           H        GLY  14  16.589   4.727   1.817
  143   1HA   GLY  14          2HA       GLY  14  15.365   5.345   3.885
  144   2HA   GLY  14          1HA       GLY  14  14.059   5.927   2.857
  145    H    ALA  15           H        ALA  15  13.111   4.195   1.383
  146    HA   ALA  15           HA       ALA  15  13.383   1.401   2.063
  147   1HB   ALA  15          3HB       ALA  15  12.118   2.957   3.977
  148   2HB   ALA  15          2HB       ALA  15  10.769   2.263   3.078
  149   3HB   ALA  15          1HB       ALA  15  11.966   1.206   3.825
  150    HA   PRO  16           HA       PRO  16  10.694   0.833  -1.367
  151   1HB   PRO  16          2HB       PRO  16   8.929  -1.126  -0.563
  152   2HB   PRO  16          1HB       PRO  16  10.640  -1.438  -0.936
  153   1HG   PRO  16          2HG       PRO  16   9.299  -1.121   1.698
  154   2HG   PRO  16          1HG       PRO  16  10.601  -2.219   1.218
  155   1HD   PRO  16          2HD       PRO  16  10.999   0.074   2.643
  156   2HD   PRO  16          1HD       PRO  16  12.228  -0.660   1.588
  157    H    SER  17           H        SER  17   8.141   0.578  -1.913
  158    HA   SER  17           HA       SER  17   6.602   2.450  -0.148
  159   1HB   SER  17          2HB       SER  17   7.766   3.205  -2.465
  160   2HB   SER  17          1HB       SER  17   6.256   2.565  -3.107
  161    HG   SER  17           HG       SER  17   5.145   3.956  -1.704
  162    H    ILE  18           H        ILE  18   5.233   0.781   0.649
  163    HA   ILE  18           HA       ILE  18   4.020  -1.197  -1.114
  164    HB   ILE  18           HB       ILE  18   4.565  -0.947   1.568
  165   1HG1  ILE  18          2HG1      ILE  18   2.511  -2.787   0.317
  166   2HG1  ILE  18          1HG1      ILE  18   4.254  -3.028   0.255
  167   1HG2  ILE  18          3HG2      ILE  18   2.577   0.536   1.867
  168   2HG2  ILE  18          2HG2      ILE  18   1.554  -0.783   1.297
  169   3HG2  ILE  18          1HG2      ILE  18   2.470  -0.962   2.794
  170   1HD1  ILE  18          3HD1      ILE  18   3.842  -2.641   2.940
  171   2HD1  ILE  18          2HD1      ILE  18   2.371  -3.495   2.471
  172   3HD1  ILE  18          1HD1      ILE  18   3.949  -4.221   2.163
  173    H    THR  19           H        THR  19   2.442  -0.657  -2.528
  174    HA   THR  19           HA       THR  19   0.573   1.572  -1.831
  175    HB   THR  19           HB       THR  19   1.956   1.720  -3.902
  176    HG1  THR  19           HG1      THR  19  -0.004   1.803  -5.344
  177   1HG2  THR  19          3HG2      THR  19   0.415  -0.777  -4.660
  178   2HG2  THR  19          2HG2      THR  19   1.432   0.153  -5.759
  179   3HG2  THR  19          1HG2      THR  19   2.153  -0.671  -4.376
  180    H    CYS  20           H        CYS  20  -1.435   0.790  -3.706
  181    HA   CYS  20           HA       CYS  20  -2.566  -1.586  -2.275
  182   1HB   CYS  20          2HB       CYS  20  -3.762   0.553  -2.062
  183   2HB   CYS  20          1HB       CYS  20  -3.840   0.699  -3.818
  184    H    VAL  21           H        VAL  21  -2.547  -3.457  -3.481
  185    HA   VAL  21           HA       VAL  21  -2.665  -3.185  -6.457
  186    HB   VAL  21           HB       VAL  21  -1.201  -5.021  -6.592
  187   1HG1  VAL  21          3HG1      VAL  21  -0.579  -3.677  -3.947
  188   2HG1  VAL  21          2HG1      VAL  21   0.537  -4.729  -4.815
  189   3HG1  VAL  21          1HG1      VAL  21   0.021  -3.207  -5.538
  190   1HG2  VAL  21          2HG2      VAL  21  -2.250  -5.765  -3.851
  191   2HG2  VAL  21          1HG2      VAL  21  -2.421  -6.667  -5.357
  192   3HG2  VAL  21          3HG2      VAL  21  -0.846  -6.549  -4.575
  193    H    ARG  22           H        ARG  22  -4.883  -3.262  -4.537
  194    HA   ARG  22           HA       ARG  22  -6.533  -5.263  -5.907
  195   1HB   ARG  22          2HB       ARG  22  -5.186  -5.808  -3.408
  196   2HB   ARG  22          1HB       ARG  22  -6.933  -5.843  -3.165
  197   1HG   ARG  22          2HG       ARG  22  -6.438  -7.162  -5.623
  198   2HG   ARG  22          1HG       ARG  22  -5.265  -7.795  -4.467
  199   1HD   ARG  22          2HD       ARG  22  -6.890  -8.755  -3.141
  200   2HD   ARG  22          1HD       ARG  22  -8.082  -7.494  -3.512
  201    HE   ARG  22           HE       ARG  22  -7.298  -9.218  -5.775
  202   1HH1  ARG  22          2HH1      ARG  22  -9.624  -8.455  -6.676
  203   2HH1  ARG  22          1HH1      ARG  22 -10.890  -9.329  -5.881
  204   1HH2  ARG  22          1HH2      ARG  22  -8.880 -10.371  -3.253
  205   2HH2  ARG  22          2HH2      ARG  22 -10.470 -10.414  -3.943
  206    H    ARG  23           H        ARG  23  -8.557  -4.341  -6.082
  207    HA   ARG  23           HA       ARG  23  -9.227  -2.105  -4.224
  208   1HB   ARG  23          2HB       ARG  23 -10.318  -2.938  -6.934
  209   2HB   ARG  23          1HB       ARG  23 -10.737  -1.463  -6.069
  210   1HG   ARG  23          2HG       ARG  23  -8.297  -0.839  -6.094
  211   2HG   ARG  23          1HG       ARG  23  -8.014  -2.227  -7.146
  212   1HD   ARG  23          2HD       ARG  23  -8.344  -0.030  -8.382
  213   2HD   ARG  23          1HD       ARG  23  -9.490  -1.302  -8.854
  214    HE   ARG  23           HE       ARG  23 -11.214  -0.041  -7.842
  215   1HH1  ARG  23          2HH1      ARG  23  -9.787   0.073  -5.155
  216   2HH1  ARG  23          1HH1      ARG  23  -9.641   1.784  -4.923
  217   1HH2  ARG  23          1HH2      ARG  23 -10.305   2.557  -8.238
  218   2HH2  ARG  23          2HH2      ARG  23  -9.935   3.190  -6.669
  219    H    ALA  24           H        ALA  24  -9.619  -4.468  -2.958
  220    HA   ALA  24           HA       ALA  24 -12.169  -5.737  -3.463
  221   1HB   ALA  24          2HB       ALA  24  -9.950  -5.799  -1.533
  222   2HB   ALA  24          1HB       ALA  24 -11.515  -6.184  -0.815
  223   3HB   ALA  24          3HB       ALA  24 -10.913  -7.130  -2.176
  224    H    PHE  25           HN       PHE  25 -14.053  -4.570  -3.259
  225    HA   PHE  25           HA       PHE  25 -14.582  -2.173  -2.030
  226   1HB   PHE  25          2HB       PHE  25 -16.102  -4.678  -2.564
  227   2HB   PHE  25          1HB       PHE  25 -16.880  -3.492  -1.517
  228    HD1  PHE  25           HD2      PHE  25 -15.108  -3.801  -4.800
  229    HD2  PHE  25           HD1      PHE  25 -17.972  -1.633  -2.446
  230    HE1  PHE  25           HE2      PHE  25 -15.706  -2.439  -6.783
  231    HE2  PHE  25           HE1      PHE  25 -18.571  -0.269  -4.430
  232    HZ   PHE  25           HZ       PHE  25 -17.438  -0.672  -6.598
   
  No H/Q in entry =         232
  Start of MODEL   10
    1   1H    PHE   1          2H        PHE   1  -7.907   3.813   0.962
    2   2H    PHE   1          1H        PHE   1  -8.509   4.996  -0.098
    3   3H    PHE   1          3H        PHE   1  -9.468   4.445   1.188
    4    HA   PHE   1           HA       PHE   1 -10.386   3.206  -0.484
    5   1HB   PHE   1          2HB       PHE   1  -8.944   4.280  -2.148
    6   2HB   PHE   1          1HB       PHE   1  -7.582   3.278  -1.645
    7    HD1  PHE   1           HD1      PHE   1 -11.165   2.330  -2.114
    8    HD2  PHE   1           HD2      PHE   1  -7.125   1.904  -3.508
    9    HE1  PHE   1           HE1      PHE   1 -11.894   0.550  -3.680
   10    HE2  PHE   1           HE2      PHE   1  -7.854   0.125  -5.075
   11    HZ   PHE   1           HZ       PHE   1 -10.237  -0.552  -5.161
   12    H    LYS   2           H        LYS   2 -10.823   1.065  -0.054
   13    HA   LYS   2           HA       LYS   2  -9.257  -0.466   1.784
   14   1HB   LYS   2          2HB       LYS   2 -11.416  -1.176  -0.226
   15   2HB   LYS   2          1HB       LYS   2 -10.833  -2.290   1.011
   16   1HG   LYS   2          2HG       LYS   2 -12.218   0.368   1.431
   17   2HG   LYS   2          1HG       LYS   2 -12.786  -1.230   1.918
   18   1HD   LYS   2          2HD       LYS   2 -10.553  -1.323   3.282
   19   2HD   LYS   2          1HD       LYS   2 -10.579   0.432   3.107
   20   1HE   LYS   2          2HE       LYS   2 -12.794   0.543   4.152
   21   2HE   LYS   2          1HE       LYS   2 -12.852  -1.228   4.260
   22   1HZ   LYS   2          1HZ       LYS   2 -10.579   0.305   5.364
   23   2HZ   LYS   2          3HZ       LYS   2 -11.981   0.046   6.283
   24   3HZ   LYS   2          2HZ       LYS   2 -11.070  -1.279   5.734
   25    H    CYS   3           H        CYS   3  -8.644  -2.871   1.019
   26    HA   CYS   3           HA       CYS   3  -7.604  -3.226  -1.655
   27   1HB   CYS   3          2HB       CYS   3  -6.181  -1.423  -0.232
   28   2HB   CYS   3          1HB       CYS   3  -5.370  -2.903   0.274
   29    H    ARG   4           H        ARG   4  -5.362  -4.798  -0.981
   30    HA   ARG   4           HA       ARG   4  -6.166  -6.769   1.046
   31   1HB   ARG   4          2HB       ARG   4  -7.656  -7.522  -0.596
   32   2HB   ARG   4          1HB       ARG   4  -6.560  -7.109  -1.912
   33   1HG   ARG   4          2HG       ARG   4  -5.735  -9.208   0.068
   34   2HG   ARG   4          1HG       ARG   4  -6.876  -9.631  -1.210
   35   1HD   ARG   4          2HD       ARG   4  -5.038  -8.310  -2.696
   36   2HD   ARG   4          1HD       ARG   4  -3.987  -8.948  -1.417
   37    HE   ARG   4           HE       ARG   4  -5.865 -10.689  -2.975
   38   1HH1  ARG   4          1HH2      ARG   4  -4.464 -11.680  -0.450
   39   2HH1  ARG   4          2HH2      ARG   4  -3.111 -12.522  -1.130
   40   1HH2  ARG   4          2HH1      ARG   4  -3.439 -11.067  -4.260
   41   2HH2  ARG   4          1HH1      ARG   4  -2.531 -12.175  -3.287
   42    H    ARG   5           H        ARG   5  -3.975  -5.866  -1.603
   43    HA   ARG   5           HA       ARG   5  -1.814  -7.353  -0.157
   44   1HB   ARG   5          2HB       ARG   5  -3.026  -7.944  -2.675
   45   2HB   ARG   5          1HB       ARG   5  -1.366  -7.430  -2.976
   46   1HG   ARG   5          2HG       ARG   5  -1.019  -9.051  -0.806
   47   2HG   ARG   5          1HG       ARG   5  -2.365  -9.854  -1.615
   48   1HD   ARG   5          2HD       ARG   5  -0.847 -10.778  -3.026
   49   2HD   ARG   5          1HD       ARG   5  -0.552  -9.150  -3.670
   50    HE   ARG   5           HE       ARG   5   0.932 -10.289  -1.329
   51   1HH1  ARG   5          2HH1      ARG   5   1.897  -7.897  -0.912
   52   2HH1  ARG   5          1HH1      ARG   5   2.955  -7.447  -2.209
   53   1HH2  ARG   5          1HH2      ARG   5   1.752  -9.867  -4.383
   54   2HH2  ARG   5          2HH2      ARG   5   2.872  -8.563  -4.172
   55    H    TRP   6           H        TRP   6  -1.284  -5.082   0.594
   56    HA   TRP   6           HA       TRP   6  -0.516  -3.023  -1.227
   57   1HB   TRP   6          2HB       TRP   6   0.236  -3.707   1.631
   58   2HB   TRP   6          1HB       TRP   6   0.614  -2.168   0.856
   59    HD1  TRP   6           HD1      TRP   6  -2.405  -4.306   1.814
   60    HE1  TRP   6           HE1      TRP   6  -4.440  -2.743   2.065
   61    HE3  TRP   6           HE3      TRP   6  -0.294   0.023   0.327
   62    HZ2  TRP   6           HZ2      TRP   6  -5.073   0.041   1.687
   63    HZ3  TRP   6           HZ3      TRP   6  -1.599   2.145   0.271
   64    HH2  TRP   6           HH2      TRP   6  -3.989   2.154   0.949
   65    H    GLN   7           H        GLN   7   0.939  -3.845  -2.829
   66    HA   GLN   7           HA       GLN   7   3.288  -5.422  -2.050
   67   1HB   GLN   7          2HB       GLN   7   2.340  -5.977  -4.129
   68   2HB   GLN   7          1HB       GLN   7   2.090  -4.290  -4.571
   69   1HG   GLN   7          2HG       GLN   7   4.203  -4.065  -5.392
   70   2HG   GLN   7          1HG       GLN   7   4.910  -5.032  -4.097
   71   1HE2  GLN   7          2HE2      GLN   7   5.173  -7.855  -6.168
   72   2HE2  GLN   7          1HE2      GLN   7   5.752  -6.980  -4.833
   73    H    TRP   8           H        TRP   8   4.807  -4.229  -0.897
   74    HA   TRP   8           HA       TRP   8   5.377  -1.517  -0.928
   75   1HB   TRP   8          2HB       TRP   8   6.934  -4.030  -0.504
   76   2HB   TRP   8          1HB       TRP   8   7.811  -2.499  -0.526
   77    HD1  TRP   8           HD1      TRP   8   5.754  -4.629   1.652
   78    HE1  TRP   8           HE1      TRP   8   5.165  -3.406   3.834
   79    HE3  TRP   8           HE3      TRP   8   7.142   0.075   0.395
   80    HZ2  TRP   8           HZ2      TRP   8   5.278  -0.755   4.915
   81    HZ3  TRP   8           HZ3      TRP   8   6.903   1.950   2.001
   82    HH2  TRP   8           HH2      TRP   8   5.968   1.540   4.262
   83    H    ARG   9           H        ARG   9   5.512  -0.368  -2.867
   84    HA   ARG   9           HA       ARG   9   6.855  -1.448  -5.228
   85   1HB   ARG   9          2HB       ARG   9   5.620   1.192  -4.413
   86   2HB   ARG   9          1HB       ARG   9   6.384   0.968  -5.987
   87   1HG   ARG   9          2HG       ARG   9   4.845  -1.180  -6.081
   88   2HG   ARG   9          1HG       ARG   9   3.890  -0.288  -4.896
   89   1HD   ARG   9          2HD       ARG   9   2.957   0.424  -6.945
   90   2HD   ARG   9          1HD       ARG   9   4.141   1.703  -6.607
   91    HE   ARG   9           HE       ARG   9   5.474  -0.404  -7.986
   92   1HH1  ARG   9          1HH2      ARG   9   4.870   2.706  -8.496
   93   2HH1  ARG   9          2HH2      ARG   9   4.400   2.600 -10.160
   94   1HH2  ARG   9          2HH1      ARG   9   4.092  -0.854 -10.128
   95   2HH2  ARG   9          1HH1      ARG   9   3.961   0.585 -11.084
   96    H    MET  10           H        MET  10   8.483   0.347  -6.260
   97    HA   MET  10           HA       MET  10  10.771   0.416  -4.421
   98   1HB   MET  10          2HB       MET  10  10.669   1.653  -7.160
   99   2HB   MET  10          1HB       MET  10  12.003   0.815  -6.377
  100   1HG   MET  10          2HG       MET  10  10.458  -1.274  -6.458
  101   2HG   MET  10          1HG       MET  10   9.545  -0.364  -7.661
  102   1HE   MET  10          1HE       MET  10  10.134   0.514  -9.500
  103   2HE   MET  10          3HE       MET  10  11.625   0.399 -10.447
  104   3HE   MET  10          2HE       MET  10  10.448  -0.911 -10.487
  105    H    LYS  11           H        LYS  11  11.920   2.376  -3.905
  106    HA   LYS  11           HA       LYS  11  10.719   4.999  -4.484
  107   1HB   LYS  11          2HB       LYS  11   9.970   3.433  -2.200
  108   2HB   LYS  11          1HB       LYS  11  10.856   4.854  -1.649
  109   1HG   LYS  11          2HG       LYS  11   9.016   5.561  -3.773
  110   2HG   LYS  11          1HG       LYS  11   8.167   4.768  -2.447
  111   1HD   LYS  11          2HD       LYS  11  10.187   6.908  -1.844
  112   2HD   LYS  11          1HD       LYS  11   8.559   7.361  -2.351
  113   1HE   LYS  11          2HE       LYS  11   8.333   5.285  -0.380
  114   2HE   LYS  11          1HE       LYS  11   9.394   6.561   0.253
  115   1HZ   LYS  11          1HZ       LYS  11   7.770   8.210  -0.448
  116   2HZ   LYS  11          3HZ       LYS  11   6.747   6.990  -1.032
  117   3HZ   LYS  11          2HZ       LYS  11   7.063   7.106   0.633
  118    H    LYS  12           H        LYS  12  11.905   6.262  -2.216
  119    HA   LYS  12           HA       LYS  12  14.503   6.856  -3.107
  120   1HB   LYS  12          2HB       LYS  12  13.635   6.870  -0.211
  121   2HB   LYS  12          1HB       LYS  12  14.741   7.983  -1.013
  122   1HG   LYS  12          2HG       LYS  12  12.468   8.240  -2.545
  123   2HG   LYS  12          1HG       LYS  12  11.802   8.014  -0.927
  124   1HD   LYS  12          2HD       LYS  12  13.063   9.866  -0.059
  125   2HD   LYS  12          1HD       LYS  12  14.006   9.995  -1.544
  126   1HE   LYS  12          2HE       LYS  12  12.393  11.224  -2.577
  127   2HE   LYS  12          1HE       LYS  12  11.099  10.157  -1.995
  128   1HZ   LYS  12          1HZ       LYS  12  12.521  11.787  -0.025
  129   2HZ   LYS  12          3HZ       LYS  12  11.407  12.578  -1.030
  130   3HZ   LYS  12          2HZ       LYS  12  10.897  11.289  -0.048
  131    H    LEU  13           H        LEU  13  16.257   6.537  -1.016
  132    HA   LEU  13           HA       LEU  13  17.238   3.870  -1.433
  133   1HB   LEU  13          2HB       LEU  13  19.052   4.665   0.020
  134   2HB   LEU  13          1HB       LEU  13  18.612   5.914  -1.145
  135    HG   LEU  13           HG       LEU  13  16.912   6.254   1.101
  136   1HD1  LEU  13          3HD1      LEU  13  18.751   4.861   2.231
  137   2HD1  LEU  13          2HD1      LEU  13  19.816   6.237   1.942
  138   3HD1  LEU  13          1HD1      LEU  13  18.389   6.425   2.961
  139   1HD2  LEU  13          2HD2      LEU  13  19.252   7.740  -0.096
  140   2HD2  LEU  13          1HD2      LEU  13  17.536   8.126  -0.209
  141   3HD2  LEU  13          3HD2      LEU  13  18.396   8.367   1.313
  142    H    GLY  14           H        GLY  14  17.085   2.085  -0.111
  143   1HA   GLY  14          2HA       GLY  14  16.125   0.711   1.542
  144   2HA   GLY  14          1HA       GLY  14  16.818   1.911   2.628
  145    H    ALA  15           H        ALA  15  14.102   2.171   0.330
  146    HA   ALA  15           HA       ALA  15  12.147   2.293   2.511
  147   1HB   ALA  15          3HB       ALA  15  13.529   4.525   2.265
  148   2HB   ALA  15          2HB       ALA  15  12.452   4.801   0.895
  149   3HB   ALA  15          1HB       ALA  15  11.784   4.594   2.514
  150    HA   PRO  16           HA       PRO  16  10.285   1.019  -1.434
  151   1HB   PRO  16          2HB       PRO  16   8.608  -0.827  -0.288
  152   2HB   PRO  16          1HB       PRO  16  10.304  -1.172  -0.691
  153   1HG   PRO  16          2HG       PRO  16   9.073  -0.545   1.937
  154   2HG   PRO  16          1HG       PRO  16  10.398  -1.650   1.545
  155   1HD   PRO  16          2HD       PRO  16  10.726   0.868   2.623
  156   2HD   PRO  16          1HD       PRO  16  11.970  -0.013   1.712
  157    H    SER  17           H        SER  17   7.762   0.824  -1.878
  158    HA   SER  17           HA       SER  17   6.260   2.756  -0.148
  159   1HB   SER  17          2HB       SER  17   5.435   3.182  -2.790
  160   2HB   SER  17          1HB       SER  17   6.486   4.233  -1.849
  161    HG   SER  17           HG       SER  17   7.324   3.426  -3.925
  162    H    ILE  18           H        ILE  18   4.876   1.131   0.708
  163    HA   ILE  18           HA       ILE  18   3.670  -0.903  -0.991
  164    HB   ILE  18           HB       ILE  18   4.194  -0.550   1.688
  165   1HG1  ILE  18          2HG1      ILE  18   2.212  -2.463   0.426
  166   2HG1  ILE  18          1HG1      ILE  18   3.958  -2.685   0.493
  167   1HG2  ILE  18          3HG2      ILE  18   2.186   0.912   1.923
  168   2HG2  ILE  18          2HG2      ILE  18   1.184  -0.434   1.377
  169   3HG2  ILE  18          1HG2      ILE  18   2.082  -0.558   2.890
  170   1HD1  ILE  18          3HD1      ILE  18   3.443  -2.239   3.116
  171   2HD1  ILE  18          2HD1      ILE  18   1.927  -2.999   2.631
  172   3HD1  ILE  18          1HD1      ILE  18   3.455  -3.848   2.396
  173    H    THR  19           H        THR  19   2.118  -0.396  -2.442
  174    HA   THR  19           HA       THR  19   0.225   1.838  -1.825
  175    HB   THR  19           HB       THR  19   1.586   2.024  -3.867
  176    HG1  THR  19           HG1      THR  19  -0.378   2.874  -4.197
  177   1HG2  THR  19          1HG2      THR  19   0.392  -0.689  -4.466
  178   2HG2  THR  19          3HG2      THR  19   1.167   0.313  -5.692
  179   3HG2  THR  19          2HG2      THR  19   2.100  -0.275  -4.317
  180    H    CYS  20           H        CYS  20  -1.769   1.014  -3.685
  181    HA   CYS  20           HA       CYS  20  -2.881  -1.355  -2.232
  182   1HB   CYS  20          2HB       CYS  20  -4.109   0.770  -2.070
  183   2HB   CYS  20          1HB       CYS  20  -4.168   0.886  -3.830
  184    H    VAL  21           H        VAL  21  -2.915  -3.250  -3.405
  185    HA   VAL  21           HA       VAL  21  -2.966  -3.019  -6.387
  186    HB   VAL  21           HB       VAL  21  -1.461  -4.823  -6.485
  187   1HG1  VAL  21          3HG1      VAL  21  -0.892  -3.431  -3.853
  188   2HG1  VAL  21          2HG1      VAL  21   0.256  -4.464  -4.700
  189   3HG1  VAL  21          1HG1      VAL  21  -0.294  -2.963  -5.444
  190   1HG2  VAL  21          1HG2      VAL  21  -2.511  -5.551  -3.742
  191   2HG2  VAL  21          3HG2      VAL  21  -2.656  -6.476  -5.235
  192   3HG2  VAL  21          2HG2      VAL  21  -1.086  -6.314  -4.447
  193    H    ARG  22           H        ARG  22  -5.211  -3.116  -4.503
  194    HA   ARG  22           HA       ARG  22  -6.790  -5.174  -5.868
  195   1HB   ARG  22          2HB       ARG  22  -5.438  -6.227  -3.919
  196   2HB   ARG  22          1HB       ARG  22  -6.552  -5.356  -2.863
  197   1HG   ARG  22          2HG       ARG  22  -8.062  -6.997  -3.143
  198   2HG   ARG  22          1HG       ARG  22  -8.132  -6.606  -4.862
  199   1HD   ARG  22          2HD       ARG  22  -5.833  -8.024  -4.849
  200   2HD   ARG  22          1HD       ARG  22  -6.664  -8.802  -3.487
  201    HE   ARG  22           HE       ARG  22  -8.641  -9.067  -5.065
  202   1HH1  ARG  22          1HH2      ARG  22  -6.699  -7.436  -7.042
  203   2HH1  ARG  22          2HH2      ARG  22  -6.436  -8.683  -8.214
  204   1HH2  ARG  22          2HH1      ARG  22  -7.764 -11.197  -6.229
  205   2HH2  ARG  22          1HH1      ARG  22  -7.039 -10.813  -7.754
  206    H    ARG  23           H        ARG  23  -9.009  -4.652  -5.761
  207    HA   ARG  23           HA       ARG  23  -9.660  -2.125  -4.319
  208   1HB   ARG  23          2HB       ARG  23 -11.022  -3.631  -6.578
  209   2HB   ARG  23          1HB       ARG  23 -11.483  -2.040  -5.984
  210   1HG   ARG  23          2HG       ARG  23  -9.165  -1.234  -6.540
  211   2HG   ARG  23          1HG       ARG  23  -8.866  -2.796  -7.302
  212   1HD   ARG  23          2HD       ARG  23 -11.368  -1.786  -8.286
  213   2HD   ARG  23          1HD       ARG  23 -10.132  -0.525  -8.467
  214    HE   ARG  23           HE       ARG  23  -9.206  -3.197  -9.227
  215   1HH1  ARG  23          1HH2      ARG  23  -9.449   0.002 -10.137
  216   2HH1  ARG  23          2HH2      ARG  23  -9.631  -0.300 -11.832
  217   1HH2  ARG  23          2HH1      ARG  23 -10.003  -3.726 -11.454
  218   2HH2  ARG  23          1HH1      ARG  23  -9.945  -2.409 -12.578
  219    H    ALA  24           H        ALA  24  -9.595  -4.165  -2.538
  220    HA   ALA  24           HA       ALA  24 -11.866  -5.848  -2.280
  221   1HB   ALA  24          2HB       ALA  24  -9.572  -5.028  -0.804
  222   2HB   ALA  24          1HB       ALA  24 -10.963  -4.870   0.270
  223   3HB   ALA  24          3HB       ALA  24 -10.609  -6.420  -0.493
  224    H    PHE  25           HN       PHE  25 -13.987  -5.336  -1.909
  225    HA   PHE  25           HA       PHE  25 -15.174  -2.861  -1.876
  226   1HB   PHE  25          2HB       PHE  25 -16.957  -4.049  -0.460
  227   2HB   PHE  25          1HB       PHE  25 -16.478  -4.862  -1.951
  228    HD1  PHE  25           HD2      PHE  25 -15.931  -4.783   1.731
  229    HD2  PHE  25           HD1      PHE  25 -15.422  -6.996  -1.916
  230    HE1  PHE  25           HE2      PHE  25 -15.232  -6.773   3.036
  231    HE2  PHE  25           HE1      PHE  25 -14.723  -8.986  -0.609
  232    HZ   PHE  25           HZ       PHE  25 -14.629  -8.873   1.866
   
  No H/Q in entry =         232
  Start of MODEL   11
    1   1H    PHE   1          2H        PHE   1  -6.326   2.488   1.992
    2   2H    PHE   1          1H        PHE   1  -7.186   3.953   1.991
    3   3H    PHE   1          3H        PHE   1  -7.591   2.734   3.099
    4    HA   PHE   1           HA       PHE   1  -9.214   2.757   1.318
    5   1HB   PHE   1          2HB       PHE   1  -7.785   3.871  -0.302
    6   2HB   PHE   1          1HB       PHE   1  -6.676   2.499  -0.325
    7    HD1  PHE   1           HD1      PHE   1 -10.025   3.699  -1.322
    8    HD2  PHE   1           HD2      PHE   1  -7.217   0.455  -1.513
    9    HE1  PHE   1           HE1      PHE   1 -11.380   2.632  -3.103
   10    HE2  PHE   1           HE2      PHE   1  -8.571  -0.613  -3.295
   11    HZ   PHE   1           HZ       PHE   1 -10.653   0.475  -4.090
   12    H    LYS   2           H        LYS   2 -10.229   0.778   1.302
   13    HA   LYS   2           HA       LYS   2  -9.282  -1.565   2.426
   14   1HB   LYS   2          2HB       LYS   2 -11.365  -0.768   0.490
   15   2HB   LYS   2          1HB       LYS   2 -10.946  -2.481   0.441
   16   1HG   LYS   2          2HG       LYS   2 -11.576  -2.834   2.672
   17   2HG   LYS   2          1HG       LYS   2 -11.436  -1.123   3.081
   18   1HD   LYS   2          2HD       LYS   2 -13.345  -1.025   1.135
   19   2HD   LYS   2          1HD       LYS   2 -13.698  -2.590   1.869
   20   1HE   LYS   2          2HE       LYS   2 -13.244  -0.929   4.066
   21   2HE   LYS   2          1HE       LYS   2 -14.171   0.084   2.943
   22   1HZ   LYS   2          1HZ       LYS   2 -15.437  -2.201   2.615
   23   2HZ   LYS   2          3HZ       LYS   2 -14.917  -2.440   4.212
   24   3HZ   LYS   2          2HZ       LYS   2 -15.881  -1.095   3.827
   25    H    CYS   3           H        CYS   3  -8.384  -3.542   1.534
   26    HA   CYS   3           HA       CYS   3  -7.450  -3.688  -1.224
   27   1HB   CYS   3          2HB       CYS   3  -5.983  -2.042   0.326
   28   2HB   CYS   3          1HB       CYS   3  -5.200  -3.570   0.719
   29    H    ARG   4           H        ARG   4  -5.229  -5.349  -0.738
   30    HA   ARG   4           HA       ARG   4  -6.171  -7.530   1.038
   31   1HB   ARG   4          2HB       ARG   4  -7.401  -8.057  -0.907
   32   2HB   ARG   4          1HB       ARG   4  -6.084  -7.573  -1.973
   33   1HG   ARG   4          2HG       ARG   4  -5.361  -9.727  -0.107
   34   2HG   ARG   4          1HG       ARG   4  -6.633 -10.168  -1.247
   35   1HD   ARG   4          2HD       ARG   4  -4.765  -8.760  -2.800
   36   2HD   ARG   4          1HD       ARG   4  -3.792  -9.808  -1.750
   37    HE   ARG   4           HE       ARG   4  -6.114 -10.882  -3.307
   38   1HH1  ARG   4          2HH1      ARG   4  -5.556 -13.198  -2.316
   39   2HH1  ARG   4          1HH1      ARG   4  -4.042 -13.780  -2.924
   40   1HH2  ARG   4          1HH2      ARG   4  -2.990 -10.669  -4.036
   41   2HH2  ARG   4          2HH2      ARG   4  -2.589 -12.348  -3.897
   42    H    ARG   5           H        ARG   5  -3.686  -6.281  -1.179
   43    HA   ARG   5           HA       ARG   5  -1.635  -7.638   0.485
   44   1HB   ARG   5          2HB       ARG   5  -2.096  -9.310  -1.145
   45   2HB   ARG   5          1HB       ARG   5  -2.182  -8.120  -2.445
   46   1HG   ARG   5          2HG       ARG   5   0.178  -7.721  -2.360
   47   2HG   ARG   5          1HG       ARG   5   0.340  -8.617  -0.849
   48   1HD   ARG   5          2HD       ARG   5  -0.326  -9.746  -3.588
   49   2HD   ARG   5          1HD       ARG   5   1.090 -10.110  -2.581
   50    HE   ARG   5           HE       ARG   5  -1.699 -10.977  -1.992
   51   1HH1  ARG   5          1HH2      ARG   5   1.080 -10.268  -0.287
   52   2HH1  ARG   5          2HH2      ARG   5   1.283 -11.845   0.403
   53   1HH2  ARG   5          2HH1      ARG   5  -1.195 -13.302  -1.537
   54   2HH2  ARG   5          1HH1      ARG   5  -0.006 -13.562  -0.306
   55    H    TRP   6           H        TRP   6  -0.969  -5.456   1.049
   56    HA   TRP   6           HA       TRP   6  -0.296  -3.456  -0.888
   57   1HB   TRP   6          2HB       TRP   6   0.525  -4.005   1.977
   58   2HB   TRP   6          1HB       TRP   6   0.882  -2.501   1.126
   59    HD1  TRP   6           HD1      TRP   6  -2.037  -4.552   2.428
   60    HE1  TRP   6           HE1      TRP   6  -4.109  -3.019   2.546
   61    HE3  TRP   6           HE3      TRP   6  -0.137  -0.429   0.223
   62    HZ2  TRP   6           HZ2      TRP   6  -4.850  -0.339   1.798
   63    HZ3  TRP   6           HZ3      TRP   6  -1.515   1.625  -0.078
   64    HH2  TRP   6           HH2      TRP   6  -3.871   1.669   0.708
   65    H    GLN   7           H        GLN   7   1.160  -4.240  -2.485
   66    HA   GLN   7           HA       GLN   7   3.552  -5.766  -1.703
   67   1HB   GLN   7          2HB       GLN   7   2.518  -6.426  -3.725
   68   2HB   GLN   7          1HB       GLN   7   2.298  -4.760  -4.257
   69   1HG   GLN   7          2HG       GLN   7   4.557  -4.512  -4.841
   70   2HG   GLN   7          1HG       GLN   7   5.067  -5.854  -3.815
   71   1HE2  GLN   7          1HE2      GLN   7   5.622  -7.661  -5.028
   72   2HE2  GLN   7          2HE2      GLN   7   4.900  -8.116  -6.496
   73    H    TRP   8           H        TRP   8   5.175  -4.552  -0.755
   74    HA   TRP   8           HA       TRP   8   5.650  -1.821  -0.851
   75   1HB   TRP   8          2HB       TRP   8   7.333  -4.273  -0.552
   76   2HB   TRP   8          1HB       TRP   8   8.130  -2.699  -0.617
   77    HD1  TRP   8           HD1      TRP   8   6.269  -4.929   1.645
   78    HE1  TRP   8           HE1      TRP   8   5.781  -3.764   3.883
   79    HE3  TRP   8           HE3      TRP   8   7.468  -0.184   0.395
   80    HZ2  TRP   8           HZ2      TRP   8   5.892  -1.128   5.002
   81    HZ3  TRP   8           HZ3      TRP   8   7.276   1.663   2.045
   82    HH2  TRP   8           HH2      TRP   8   6.485   1.194   4.348
   83    H    ARG   9           H        ARG   9   5.604  -0.673  -2.776
   84    HA   ARG   9           HA       ARG   9   6.744  -1.734  -5.252
   85   1HB   ARG   9          2HB       ARG   9   5.600   0.926  -4.354
   86   2HB   ARG   9          1HB       ARG   9   6.125   0.617  -6.009
   87   1HG   ARG   9          2HG       ARG   9   4.579  -1.513  -5.772
   88   2HG   ARG   9          1HG       ARG   9   3.809  -0.552  -4.510
   89   1HD   ARG   9          2HD       ARG   9   3.301   1.228  -6.061
   90   2HD   ARG   9          1HD       ARG   9   4.289   0.473  -7.329
   91    HE   ARG   9           HE       ARG   9   2.665  -1.462  -7.238
   92   1HH1  ARG   9          1HH2      ARG   9   1.691   1.703  -7.405
   93   2HH1  ARG   9          2HH2      ARG   9   0.048   1.428  -6.932
   94   1HH2  ARG   9          2HH1      ARG   9   0.588  -1.868  -6.004
   95   2HH2  ARG   9          1HH1      ARG   9  -0.577  -0.594  -6.138
   96    H    MET  10           H        MET  10   8.276  -0.021  -6.444
   97    HA   MET  10           HA       MET  10  10.704   0.153  -4.818
   98   1HB   MET  10          2HB       MET  10  10.329   1.383  -7.537
   99   2HB   MET  10          1HB       MET  10  11.742   0.566  -6.880
  100   1HG   MET  10          2HG       MET  10  11.052  -1.258  -8.022
  101   2HG   MET  10          1HG       MET  10   9.782  -1.401  -6.806
  102   1HE   MET  10          1HE       MET  10   8.313  -2.441  -7.717
  103   2HE   MET  10          3HE       MET  10   6.940  -1.344  -7.928
  104   3HE   MET  10          2HE       MET  10   7.532  -2.293  -9.289
  105    H    LYS  11           H        LYS  11  11.836   2.154  -4.403
  106    HA   LYS  11           HA       LYS  11  10.441   4.714  -4.861
  107   1HB   LYS  11          2HB       LYS  11   9.443   3.532  -2.823
  108   2HB   LYS  11          1HB       LYS  11  11.010   3.760  -2.045
  109   1HG   LYS  11          2HG       LYS  11   9.920   6.186  -3.324
  110   2HG   LYS  11          1HG       LYS  11   8.970   5.586  -1.963
  111   1HD   LYS  11          2HD       LYS  11  10.701   5.888  -0.441
  112   2HD   LYS  11          1HD       LYS  11  11.950   5.757  -1.680
  113   1HE   LYS  11          2HE       LYS  11  11.943   8.071  -1.208
  114   2HE   LYS  11          1HE       LYS  11  10.859   7.975  -2.610
  115   1HZ   LYS  11          2HZ       LYS  11   9.971   7.792   0.220
  116   2HZ   LYS  11          1HZ       LYS  11   9.874   9.202  -0.722
  117   3HZ   LYS  11          3HZ       LYS  11   8.974   7.832  -1.156
  118    H    LYS  12           H        LYS  12  11.801   6.510  -3.665
  119    HA   LYS  12           HA       LYS  12  14.557   6.247  -4.528
  120   1HB   LYS  12          2HB       LYS  12  13.469   8.336  -2.643
  121   2HB   LYS  12          1HB       LYS  12  14.690   8.524  -3.899
  122   1HG   LYS  12          2HG       LYS  12  12.426   7.603  -5.262
  123   2HG   LYS  12          1HG       LYS  12  11.798   8.775  -4.102
  124   1HD   LYS  12          2HD       LYS  12  14.065   9.263  -6.058
  125   2HD   LYS  12          1HD       LYS  12  12.424   9.892  -6.206
  126   1HE   LYS  12          2HE       LYS  12  13.446  10.527  -3.581
  127   2HE   LYS  12          1HE       LYS  12  14.580  11.096  -4.822
  128   1HZ   LYS  12          1HZ       LYS  12  12.596  11.955  -6.045
  129   2HZ   LYS  12          3HZ       LYS  12  11.664  11.624  -4.669
  130   3HZ   LYS  12          2HZ       LYS  12  12.922  12.763  -4.587
  131    H    LEU  13           H        LEU  13  16.044   7.408  -2.540
  132    HA   LEU  13           HA       LEU  13  16.860   5.295  -0.893
  133   1HB   LEU  13          2HB       LEU  13  18.138   7.016   0.249
  134   2HB   LEU  13          1HB       LEU  13  18.056   7.435  -1.463
  135    HG   LEU  13           HG       LEU  13  15.766   8.501  -0.038
  136   1HD1  LEU  13          3HD1      LEU  13  17.892   8.408   1.646
  137   2HD1  LEU  13          2HD1      LEU  13  18.228   9.925   0.812
  138   3HD1  LEU  13          1HD1      LEU  13  16.701   9.707   1.667
  139   1HD2  LEU  13          3HD2      LEU  13  17.366   9.114  -2.226
  140   2HD2  LEU  13          2HD2      LEU  13  16.096  10.144  -1.565
  141   3HD2  LEU  13          1HD2      LEU  13  17.771  10.377  -1.064
  142    H    GLY  14           H        GLY  14  16.571   4.966   1.429
  143   1HA   GLY  14          2HA       GLY  14  15.425   5.641   3.522
  144   2HA   GLY  14          1HA       GLY  14  14.076   6.187   2.528
  145    H    ALA  15           H        ALA  15  13.078   4.407   1.148
  146    HA   ALA  15           HA       ALA  15  13.393   1.636   1.894
  147   1HB   ALA  15          2HB       ALA  15  11.927   3.387   3.657
  148   2HB   ALA  15          1HB       ALA  15  10.838   2.166   2.999
  149   3HB   ALA  15          3HB       ALA  15  12.293   1.674   3.864
  150    HA   PRO  16           HA       PRO  16  10.584   0.966  -1.414
  151   1HB   PRO  16          2HB       PRO  16   8.897  -1.014  -0.500
  152   2HB   PRO  16          1HB       PRO  16  10.597  -1.297  -0.940
  153   1HG   PRO  16          2HG       PRO  16   9.361  -0.961   1.744
  154   2HG   PRO  16          1HG       PRO  16  10.668  -2.036   1.229
  155   1HD   PRO  16          2HD       PRO  16  11.067   0.295   2.594
  156   2HD   PRO  16          1HD       PRO  16  12.270  -0.434   1.508
  157    H    SER  17           H        SER  17   8.016   0.642  -1.845
  158    HA   SER  17           HA       SER  17   6.504   2.507  -0.051
  159   1HB   SER  17          2HB       SER  17   6.745   2.510  -3.075
  160   2HB   SER  17          1HB       SER  17   5.589   3.494  -2.183
  161    HG   SER  17           HG       SER  17   7.731   4.035  -0.973
  162    H    ILE  18           H        ILE  18   5.205   0.811   0.812
  163    HA   ILE  18           HA       ILE  18   3.978  -1.213  -0.886
  164    HB   ILE  18           HB       ILE  18   4.611  -0.946   1.759
  165   1HG1  ILE  18          2HG1      ILE  18   2.465  -2.780   0.666
  166   2HG1  ILE  18          1HG1      ILE  18   4.192  -3.027   0.446
  167   1HG2  ILE  18          1HG2      ILE  18   1.623  -0.544   1.517
  168   2HG2  ILE  18          3HG2      ILE  18   2.430  -1.078   2.992
  169   3HG2  ILE  18          2HG2      ILE  18   2.777   0.517   2.325
  170   1HD1  ILE  18          1HD1      ILE  18   4.005  -2.619   3.163
  171   2HD1  ILE  18          3HD1      ILE  18   2.523  -3.506   2.815
  172   3HD1  ILE  18          2HD1      ILE  18   4.086  -4.199   2.384
  173    H    THR  19           H        THR  19   2.323  -0.765  -2.235
  174    HA   THR  19           HA       THR  19   0.367   1.371  -1.452
  175    HB   THR  19           HB       THR  19   1.139   0.275  -4.178
  176    HG1  THR  19           HG1      THR  19   2.840   1.430  -3.453
  177   1HG2  THR  19          2HG2      THR  19  -0.796   2.344  -3.210
  178   2HG2  THR  19          1HG2      THR  19   0.029   2.610  -4.746
  179   3HG2  THR  19          3HG2      THR  19  -0.970   1.174  -4.519
  180    H    CYS  20           H        CYS  20  -1.860   0.880  -2.598
  181    HA   CYS  20           HA       CYS  20  -2.746  -1.747  -1.663
  182   1HB   CYS  20          2HB       CYS  20  -4.073   0.304  -1.394
  183   2HB   CYS  20          1HB       CYS  20  -4.116   0.524  -3.144
  184    H    VAL  21           H        VAL  21  -2.656  -3.567  -2.940
  185    HA   VAL  21           HA       VAL  21  -2.606  -3.181  -5.901
  186    HB   VAL  21           HB       VAL  21  -1.168  -5.045  -6.006
  187   1HG1  VAL  21          2HG1      VAL  21  -0.695  -3.771  -3.297
  188   2HG1  VAL  21          1HG1      VAL  21   0.458  -4.823  -4.113
  189   3HG1  VAL  21          3HG1      VAL  21   0.014  -3.277  -4.835
  190   1HG2  VAL  21          3HG2      VAL  21  -2.444  -5.841  -3.386
  191   2HG2  VAL  21          2HG2      VAL  21  -2.429  -6.729  -4.910
  192   3HG2  VAL  21          1HG2      VAL  21  -0.953  -6.594  -3.954
  193    H    ARG  22           H        ARG  22  -4.932  -3.348  -4.076
  194    HA   ARG  22           HA       ARG  22  -6.531  -5.212  -5.675
  195   1HB   ARG  22          2HB       ARG  22  -5.286  -6.000  -3.204
  196   2HB   ARG  22          1HB       ARG  22  -7.037  -5.985  -2.985
  197   1HG   ARG  22          2HG       ARG  22  -5.590  -7.374  -5.259
  198   2HG   ARG  22          1HG       ARG  22  -6.222  -8.179  -3.822
  199   1HD   ARG  22          2HD       ARG  22  -8.455  -7.835  -4.449
  200   2HD   ARG  22          1HD       ARG  22  -8.047  -6.462  -5.498
  201    HE   ARG  22           HE       ARG  22  -7.043  -8.069  -7.086
  202   1HH1  ARG  22          1HH2      ARG  22  -6.423 -10.428  -5.567
  203   2HH1  ARG  22          2HH2      ARG  22  -7.773 -11.480  -5.832
  204   1HH2  ARG  22          2HH1      ARG  22  -9.861  -8.954  -6.964
  205   2HH2  ARG  22          1HH1      ARG  22  -9.719 -10.647  -6.623
  206    H    ARG  23           H        ARG  23  -8.658  -4.473  -5.716
  207    HA   ARG  23           HA       ARG  23  -9.332  -2.238  -3.859
  208   1HB   ARG  23          2HB       ARG  23 -10.469  -3.122  -6.534
  209   2HB   ARG  23          1HB       ARG  23 -10.930  -1.666  -5.660
  210   1HG   ARG  23          2HG       ARG  23  -8.496  -0.967  -5.737
  211   2HG   ARG  23          1HG       ARG  23  -8.226  -2.311  -6.846
  212   1HD   ARG  23          2HD       ARG  23  -9.677  -1.368  -8.502
  213   2HD   ARG  23          1HD       ARG  23 -10.329  -0.183  -7.352
  214    HE   ARG  23           HE       ARG  23  -7.480  -0.173  -8.282
  215   1HH1  ARG  23          2HH1      ARG  23  -8.354   1.377  -5.789
  216   2HH1  ARG  23          1HH1      ARG  23  -8.588   2.960  -6.454
  217   1HH2  ARG  23          1HH2      ARG  23  -8.644   1.859  -9.742
  218   2HH2  ARG  23          2HH2      ARG  23  -8.753   3.232  -8.692
  219    H    ALA  24           H        ALA  24  -9.578  -4.650  -2.620
  220    HA   ALA  24           HA       ALA  24 -12.080  -6.021  -3.008
  221   1HB   ALA  24          2HB       ALA  24  -9.876  -5.856  -1.016
  222   2HB   ALA  24          1HB       ALA  24 -11.407  -6.504  -0.427
  223   3HB   ALA  24          3HB       ALA  24 -10.588  -7.275  -1.786
  224    H    PHE  25           HN       PHE  25 -13.732  -4.366  -3.100
  225    HA   PHE  25           HA       PHE  25 -14.239  -2.212  -1.470
  226   1HB   PHE  25          2HB       PHE  25 -16.249  -4.334  -2.284
  227   2HB   PHE  25          1HB       PHE  25 -16.587  -2.630  -1.985
  228    HD1  PHE  25           HD2      PHE  25 -14.270  -1.325  -3.281
  229    HD2  PHE  25           HD1      PHE  25 -16.687  -4.627  -4.587
  230    HE1  PHE  25           HE2      PHE  25 -13.716  -0.797  -5.640
  231    HE2  PHE  25           HE1      PHE  25 -16.133  -4.100  -6.946
  232    HZ   PHE  25           HZ       PHE  25 -14.648  -2.185  -7.473
   
  No H/Q in entry =         232
  Start of MODEL   12
    1   1H    PHE   1          1H        PHE   1  -8.227   3.542   1.919
    2   2H    PHE   1          3H        PHE   1  -7.378   3.644   0.454
    3   3H    PHE   1          2H        PHE   1  -8.633   4.741   0.786
    4    HA   PHE   1           HA       PHE   1 -10.293   3.193   0.409
    5   1HB   PHE   1          2HB       PHE   1  -9.022   3.829  -1.607
    6   2HB   PHE   1          1HB       PHE   1  -7.912   2.484  -1.337
    7    HD1  PHE   1           HD1      PHE   1 -11.629   3.038  -1.465
    8    HD2  PHE   1           HD2      PHE   1  -8.299   0.576  -2.604
    9    HE1  PHE   1           HE1      PHE   1 -13.167   1.523  -2.685
   10    HE2  PHE   1           HE2      PHE   1  -9.837  -0.939  -3.824
   11    HZ   PHE   1           HZ       PHE   1 -12.271  -0.466  -3.866
   12    H    LYS   2           H        LYS   2 -11.011   0.950   0.397
   13    HA   LYS   2           HA       LYS   2  -9.755  -0.719   2.387
   14   1HB   LYS   2          2HB       LYS   2 -12.056  -0.805   0.492
   15   2HB   LYS   2          1HB       LYS   2 -11.506  -2.348   1.145
   16   1HG   LYS   2          2HG       LYS   2 -11.713  -1.459   3.436
   17   2HG   LYS   2          1HG       LYS   2 -12.262   0.087   2.787
   18   1HD   LYS   2          2HD       LYS   2 -14.183  -1.080   1.713
   19   2HD   LYS   2          1HD       LYS   2 -13.655  -2.586   2.462
   20   1HE   LYS   2          2HE       LYS   2 -13.728  -1.119   4.684
   21   2HE   LYS   2          1HE       LYS   2 -14.899  -0.178   3.738
   22   1HZ   LYS   2          3HZ       LYS   2 -15.972  -2.327   3.151
   23   2HZ   LYS   2          2HZ       LYS   2 -14.959  -3.100   4.274
   24   3HZ   LYS   2          1HZ       LYS   2 -16.084  -1.938   4.798
   25    H    CYS   3           H        CYS   3  -7.818  -1.727   1.962
   26    HA   CYS   3           HA       CYS   3  -7.516  -3.109  -0.686
   27   1HB   CYS   3          2HB       CYS   3  -6.136  -0.920   0.171
   28   2HB   CYS   3          1HB       CYS   3  -5.094  -2.216   0.748
   29    H    ARG   4           H        ARG   4  -5.078  -4.328  -0.046
   30    HA   ARG   4           HA       ARG   4  -5.136  -5.730   2.482
   31   1HB   ARG   4          2HB       ARG   4  -7.118  -6.762   1.698
   32   2HB   ARG   4          1HB       ARG   4  -6.491  -6.905   0.056
   33   1HG   ARG   4          2HG       ARG   4  -4.943  -8.284   2.190
   34   2HG   ARG   4          1HG       ARG   4  -6.514  -8.977   1.782
   35   1HD   ARG   4          2HD       ARG   4  -5.513  -8.502  -0.718
   36   2HD   ARG   4          1HD       ARG   4  -4.028  -8.891   0.174
   37    HE   ARG   4           HE       ARG   4  -5.875 -10.789   1.039
   38   1HH1  ARG   4          1HH2      ARG   4  -3.350 -11.077  -0.806
   39   2HH1  ARG   4          2HH2      ARG   4  -4.036 -12.024  -2.083
   40   1HH2  ARG   4          2HH1      ARG   4  -7.314 -11.438  -1.115
   41   2HH2  ARG   4          1HH1      ARG   4  -6.280 -12.230  -2.258
   42    H    ARG   5           H        ARG   5  -4.506  -6.755  -0.883
   43    HA   ARG   5           HA       ARG   5  -1.884  -7.832  -0.118
   44   1HB   ARG   5          2HB       ARG   5  -3.520  -8.866  -1.731
   45   2HB   ARG   5          1HB       ARG   5  -3.186  -7.534  -2.838
   46   1HG   ARG   5          2HG       ARG   5  -0.656  -8.447  -2.084
   47   2HG   ARG   5          1HG       ARG   5  -1.603  -9.918  -2.299
   48   1HD   ARG   5          2HD       ARG   5  -2.378  -8.962  -4.533
   49   2HD   ARG   5          1HD       ARG   5  -1.132  -7.715  -4.327
   50    HE   ARG   5           HE       ARG   5  -0.007 -10.315  -3.828
   51   1HH1  ARG   5          1HH2      ARG   5  -1.781  -9.967  -6.500
   52   2HH1  ARG   5          2HH2      ARG   5  -0.482  -9.872  -7.642
   53   1HH2  ARG   5          2HH1      ARG   5   1.965  -9.443  -5.222
   54   2HH2  ARG   5          1HH1      ARG   5   1.638  -9.575  -6.918
   55    H    TRP   6           H        TRP   6  -1.682  -5.168   0.430
   56    HA   TRP   6           HA       TRP   6  -1.018  -3.288  -1.483
   57   1HB   TRP   6          2HB       TRP   6   0.268  -3.999   1.166
   58   2HB   TRP   6          1HB       TRP   6   0.604  -2.506   0.290
   59    HD1  TRP   6           HD1      TRP   6  -2.332  -4.367   1.919
   60    HE1  TRP   6           HE1      TRP   6  -4.134  -2.632   2.526
   61    HE3  TRP   6           HE3      TRP   6  -0.222  -0.234  -0.086
   62    HZ2  TRP   6           HZ2      TRP   6  -4.606   0.186   2.208
   63    HZ3  TRP   6           HZ3      TRP   6  -1.340   1.983   0.066
   64    HH2  TRP   6           HH2      TRP   6  -3.532   2.194   1.213
   65    H    GLN   7           H        GLN   7   1.421  -2.585  -1.913
   66    HA   GLN   7           HA       GLN   7   3.231  -4.903  -2.308
   67   1HB   GLN   7          2HB       GLN   7   1.938  -5.019  -4.301
   68   2HB   GLN   7          1HB       GLN   7   1.908  -3.264  -4.475
   69   1HG   GLN   7          2HG       GLN   7   4.322  -3.246  -4.921
   70   2HG   GLN   7          1HG       GLN   7   4.388  -4.994  -4.699
   71   1HE2  GLN   7          2HE2      GLN   7   3.250  -5.703  -7.961
   72   2HE2  GLN   7          1HE2      GLN   7   3.813  -6.314  -6.480
   73    H    TRP   8           H        TRP   8   4.762  -3.806  -0.957
   74    HA   TRP   8           HA       TRP   8   5.516  -1.147  -0.867
   75   1HB   TRP   8          2HB       TRP   8   6.948  -3.768  -0.658
   76   2HB   TRP   8          1HB       TRP   8   7.896  -2.282  -0.592
   77    HD1  TRP   8           HD1      TRP   8   5.819  -4.483   1.472
   78    HE1  TRP   8           HE1      TRP   8   5.338  -3.416   3.759
   79    HE3  TRP   8           HE3      TRP   8   7.354   0.257   0.554
   80    HZ2  TRP   8           HZ2      TRP   8   5.585  -0.873   5.046
   81    HZ3  TRP   8           HZ3      TRP   8   7.236   2.001   2.313
   82    HH2  TRP   8           HH2      TRP   8   6.347   1.440   4.560
   83    H    ARG   9           H        ARG   9   5.827   0.163  -2.672
   84    HA   ARG   9           HA       ARG   9   6.883  -0.885  -5.188
   85   1HB   ARG   9          2HB       ARG   9   5.953   1.742  -4.061
   86   2HB   ARG   9          1HB       ARG   9   6.809   1.719  -5.602
   87   1HG   ARG   9          2HG       ARG   9   4.958  -0.367  -5.807
   88   2HG   ARG   9          1HG       ARG   9   4.070   0.932  -5.010
   89   1HD   ARG   9          2HD       ARG   9   3.756   1.620  -7.194
   90   2HD   ARG   9          1HD       ARG   9   5.348   2.361  -6.938
   91    HE   ARG   9           HE       ARG   9   6.206   0.006  -7.749
   92   1HH1  ARG   9          2HH1      ARG   9   3.117  -0.331  -8.420
   93   2HH1  ARG   9          1HH1      ARG   9   3.202  -0.183 -10.144
   94   1HH2  ARG   9          1HH2      ARG   9   6.440   1.058 -10.143
   95   2HH2  ARG   9          2HH2      ARG   9   5.083   0.603 -11.120
   96    H    MET  10           H        MET  10   8.667   0.883  -6.131
   97    HA   MET  10           HA       MET  10  11.003   0.561  -4.316
   98   1HB   MET  10          2HB       MET  10  10.947   1.418  -7.215
   99   2HB   MET  10          1HB       MET  10  12.261   0.649  -6.335
  100   1HG   MET  10          2HG       MET  10  10.924  -1.411  -6.113
  101   2HG   MET  10          1HG       MET  10   9.601  -0.644  -6.991
  102   1HE   MET  10          3HE       MET  10  10.928  -3.187  -7.256
  103   2HE   MET  10          2HE       MET  10  11.223  -3.497  -8.965
  104   3HE   MET  10          1HE       MET  10  12.582  -3.197  -7.884
  105    H    LYS  11           H        LYS  11  12.559   2.423  -4.240
  106    HA   LYS  11           HA       LYS  11  11.789   5.071  -5.104
  107   1HB   LYS  11          2HB       LYS  11  10.422   4.017  -2.890
  108   2HB   LYS  11          1HB       LYS  11  11.595   5.151  -2.222
  109   1HG   LYS  11          2HG       LYS  11  10.786   6.772  -4.070
  110   2HG   LYS  11          1HG       LYS  11   9.403   5.688  -4.220
  111   1HD   LYS  11          2HD       LYS  11   9.117   5.931  -1.691
  112   2HD   LYS  11          1HD       LYS  11  10.271   7.261  -1.789
  113   1HE   LYS  11          2HE       LYS  11   8.449   7.778  -3.857
  114   2HE   LYS  11          1HE       LYS  11   7.447   7.250  -2.490
  115   1HZ   LYS  11          3HZ       LYS  11   9.087   8.727  -1.145
  116   2HZ   LYS  11          2HZ       LYS  11   9.348   9.490  -2.640
  117   3HZ   LYS  11          1HZ       LYS  11   7.790   9.449  -1.965
  118    H    LYS  12           H        LYS  12  12.839   6.420  -2.818
  119    HA   LYS  12           HA       LYS  12  15.564   6.659  -3.408
  120   1HB   LYS  12          2HB       LYS  12  14.292   7.041  -0.689
  121   2HB   LYS  12          1HB       LYS  12  15.667   7.918  -1.359
  122   1HG   LYS  12          2HG       LYS  12  13.978   8.538  -3.277
  123   2HG   LYS  12          1HG       LYS  12  12.758   8.143  -2.068
  124   1HD   LYS  12          2HD       LYS  12  14.569   9.700  -0.654
  125   2HD   LYS  12          1HD       LYS  12  14.514  10.477  -2.236
  126   1HE   LYS  12          2HE       LYS  12  11.861   9.678  -1.221
  127   2HE   LYS  12          1HE       LYS  12  12.669  10.921  -0.247
  128   1HZ   LYS  12          2HZ       LYS  12  12.463  10.992  -3.209
  129   2HZ   LYS  12          1HZ       LYS  12  11.428  11.843  -2.166
  130   3HZ   LYS  12          3HZ       LYS  12  13.083  12.211  -2.202
  131    H    LEU  13           H        LEU  13  16.940   6.448  -1.026
  132    HA   LEU  13           HA       LEU  13  18.305   4.096  -1.042
  133   1HB   LEU  13          2HB       LEU  13  18.551   4.525   1.492
  134   2HB   LEU  13          1HB       LEU  13  18.992   5.835   0.398
  135    HG   LEU  13           HG       LEU  13  16.163   5.941   1.008
  136   1HD1  LEU  13          1HD1      LEU  13  17.694   4.987   3.153
  137   2HD1  LEU  13          3HD1      LEU  13  17.513   6.713   3.465
  138   3HD1  LEU  13          2HD1      LEU  13  16.085   5.701   3.249
  139   1HD2  LEU  13          1HD2      LEU  13  18.139   7.676   0.314
  140   2HD2  LEU  13          3HD2      LEU  13  16.612   8.185   1.036
  141   3HD2  LEU  13          2HD2      LEU  13  18.043   7.986   2.047
  142    H    GLY  14           H        GLY  14  16.909   2.292  -1.533
  143   1HA   GLY  14          2HA       GLY  14  15.439   0.526  -1.028
  144   2HA   GLY  14          1HA       GLY  14  16.310   0.542   0.500
  145    H    ALA  15           H        ALA  15  14.227   3.163  -0.639
  146    HA   ALA  15           HA       ALA  15  12.491   2.657   1.747
  147   1HB   ALA  15          1HB       ALA  15  13.605   4.986   0.352
  148   2HB   ALA  15          3HB       ALA  15  11.889   5.156   0.725
  149   3HB   ALA  15          2HB       ALA  15  13.046   4.840   2.019
  150    HA   PRO  16           HA       PRO  16   9.957   1.368  -1.868
  151   1HB   PRO  16          2HB       PRO  16   8.617  -0.588  -0.457
  152   2HB   PRO  16          1HB       PRO  16  10.190  -0.849  -1.245
  153   1HG   PRO  16          2HG       PRO  16   9.593  -0.234   1.617
  154   2HG   PRO  16          1HG       PRO  16  10.724  -1.415   0.932
  155   1HD   PRO  16          2HD       PRO  16  11.559   0.971   1.876
  156   2HD   PRO  16          1HD       PRO  16  12.330   0.183   0.478
  157    H    SER  17           H        SER  17   7.431   1.090  -1.825
  158    HA   SER  17           HA       SER  17   6.145   2.753   0.291
  159   1HB   SER  17          2HB       SER  17   6.351   3.299  -2.670
  160   2HB   SER  17          1HB       SER  17   5.008   3.944  -1.730
  161    HG   SER  17           HG       SER  17   6.918   5.319  -1.898
  162    H    ILE  18           H        ILE  18   4.925   0.916   0.956
  163    HA   ILE  18           HA       ILE  18   3.660  -0.956  -0.770
  164    HB   ILE  18           HB       ILE  18   4.024  -0.490   1.957
  165   1HG1  ILE  18          2HG1      ILE  18   2.292  -2.614   0.662
  166   2HG1  ILE  18          1HG1      ILE  18   4.053  -2.658   0.735
  167   1HG2  ILE  18          2HG2      ILE  18   1.063  -0.508   1.318
  168   2HG2  ILE  18          1HG2      ILE  18   1.742  -0.820   2.916
  169   3HG2  ILE  18          3HG2      ILE  18   1.952   0.761   2.161
  170   1HD1  ILE  18          2HD1      ILE  18   3.524  -2.232   3.342
  171   2HD1  ILE  18          1HD1      ILE  18   2.052  -3.092   2.893
  172   3HD1  ILE  18          3HD1      ILE  18   3.626  -3.850   2.648
  173    H    THR  19           H        THR  19   2.191  -0.412  -2.319
  174    HA   THR  19           HA       THR  19   0.271   1.818  -1.780
  175    HB   THR  19           HB       THR  19   1.119   0.422  -4.341
  176    HG1  THR  19           HG1      THR  19   1.740   3.067  -3.721
  177   1HG2  THR  19          3HG2      THR  19  -0.683   2.768  -3.749
  178   2HG2  THR  19          2HG2      THR  19   0.095   2.573  -5.320
  179   3HG2  THR  19          1HG2      THR  19  -1.025   1.345  -4.732
  180    H    CYS  20           H        CYS  20  -1.941   1.383  -2.938
  181    HA   CYS  20           HA       CYS  20  -3.023  -1.103  -1.842
  182   1HB   CYS  20          2HB       CYS  20  -4.188   1.086  -1.783
  183   2HB   CYS  20          1HB       CYS  20  -4.245   1.097  -3.544
  184    H    VAL  21           H        VAL  21  -3.119  -2.995  -2.965
  185    HA   VAL  21           HA       VAL  21  -3.351  -2.901  -5.930
  186    HB   VAL  21           HB       VAL  21  -1.096  -3.368  -5.886
  187   1HG1  VAL  21          2HG1      VAL  21  -1.631  -4.121  -3.039
  188   2HG1  VAL  21          1HG1      VAL  21  -0.139  -4.679  -3.794
  189   3HG1  VAL  21          3HG1      VAL  21  -0.483  -2.953  -3.693
  190   1HG2  VAL  21          3HG2      VAL  21  -2.242  -5.545  -6.534
  191   2HG2  VAL  21          2HG2      VAL  21  -0.582  -5.702  -5.959
  192   3HG2  VAL  21          1HG2      VAL  21  -1.927  -6.099  -4.890
  193    H    ARG  22           H        ARG  22  -5.281  -3.371  -3.852
  194    HA   ARG  22           HA       ARG  22  -6.397  -5.901  -4.835
  195   1HB   ARG  22          2HB       ARG  22  -4.831  -5.729  -2.414
  196   2HB   ARG  22          1HB       ARG  22  -6.490  -6.182  -2.018
  197   1HG   ARG  22          2HG       ARG  22  -4.775  -7.539  -4.120
  198   2HG   ARG  22          1HG       ARG  22  -5.077  -8.170  -2.502
  199   1HD   ARG  22          2HD       ARG  22  -7.589  -7.988  -3.086
  200   2HD   ARG  22          1HD       ARG  22  -7.048  -7.823  -4.769
  201    HE   ARG  22           HE       ARG  22  -6.770 -10.237  -3.101
  202   1HH1  ARG  22          2HH1      ARG  22  -5.403  -8.400  -5.663
  203   2HH1  ARG  22          1HH1      ARG  22  -4.961  -9.785  -6.605
  204   1HH2  ARG  22          1HH2      ARG  22  -6.373 -12.063  -4.405
  205   2HH2  ARG  22          2HH2      ARG  22  -5.510 -11.858  -5.894
  206    H    ARG  23           H        ARG  23  -8.237  -4.650  -5.441
  207    HA   ARG  23           HA       ARG  23  -9.556  -2.865  -3.537
  208   1HB   ARG  23          2HB       ARG  23 -10.396  -4.023  -6.216
  209   2HB   ARG  23          1HB       ARG  23 -11.160  -2.656  -5.408
  210   1HG   ARG  23          2HG       ARG  23  -9.219  -1.295  -5.646
  211   2HG   ARG  23          1HG       ARG  23  -8.215  -2.678  -6.087
  212   1HD   ARG  23          2HD       ARG  23 -10.402  -2.590  -7.929
  213   2HD   ARG  23          1HD       ARG  23  -9.695  -0.963  -7.839
  214    HE   ARG  23           HE       ARG  23  -8.357  -3.335  -8.874
  215   1HH1  ARG  23          2HH1      ARG  23  -6.144  -3.154  -7.446
  216   2HH1  ARG  23          1HH1      ARG  23  -5.311  -1.692  -7.855
  217   1HH2  ARG  23          1HH2      ARG  23  -8.079  -0.214  -9.329
  218   2HH2  ARG  23          2HH2      ARG  23  -6.406  -0.027  -8.921
  219    H    ALA  24           H        ALA  24 -10.090  -4.289  -1.754
  220    HA   ALA  24           HA       ALA  24 -11.977  -6.523  -2.349
  221   1HB   ALA  24          2HB       ALA  24  -9.847  -6.688  -0.909
  222   2HB   ALA  24          1HB       ALA  24 -10.729  -5.751   0.296
  223   3HB   ALA  24          3HB       ALA  24 -11.328  -7.334  -0.201
  224    H    PHE  25           HN       PHE  25 -14.041  -5.630  -2.516
  225    HA   PHE  25           HA       PHE  25 -15.150  -3.356  -1.455
  226   1HB   PHE  25          2HB       PHE  25 -16.441  -6.101  -1.500
  227   2HB   PHE  25          1HB       PHE  25 -17.273  -4.551  -1.617
  228    HD1  PHE  25           HD2      PHE  25 -15.830  -2.958  -3.467
  229    HD2  PHE  25           HD1      PHE  25 -16.445  -7.208  -3.550
  230    HE1  PHE  25           HE2      PHE  25 -15.493  -2.958  -5.924
  231    HE2  PHE  25           HE1      PHE  25 -16.107  -7.209  -6.007
  232    HZ   PHE  25           HZ       PHE  25 -15.631  -5.084  -7.193
   
  No H/Q in entry =         232
  Start of MODEL   13
    1   1H    PHE   1          1H        PHE   1 -12.892   0.743   0.707
    2   2H    PHE   1          3H        PHE   1 -13.590   1.235  -0.758
    3   3H    PHE   1          2H        PHE   1 -13.652  -0.398  -0.296
    4    HA   PHE   1           HA       PHE   1 -11.951  -0.311  -1.901
    5   1HB   PHE   1          2HB       PHE   1 -11.899   2.149  -1.913
    6   2HB   PHE   1          1HB       PHE   1 -11.096   2.151  -0.342
    7    HD1  PHE   1           HD1      PHE   1 -10.493  -0.179  -3.186
    8    HD2  PHE   1           HD2      PHE   1  -8.980   3.103  -0.864
    9    HE1  PHE   1           HE1      PHE   1  -8.293  -0.399  -4.308
   10    HE2  PHE   1           HE2      PHE   1  -6.780   2.883  -1.988
   11    HZ   PHE   1           HZ       PHE   1  -6.436   1.132  -3.709
   12    H    LYS   2           H        LYS   2 -12.216  -1.941   0.311
   13    HA   LYS   2           HA       LYS   2  -9.895  -1.827   2.073
   14   1HB   LYS   2          2HB       LYS   2 -12.195  -3.661   1.489
   15   2HB   LYS   2          1HB       LYS   2 -10.841  -4.287   2.430
   16   1HG   LYS   2          2HG       LYS   2 -12.490  -1.825   3.075
   17   2HG   LYS   2          1HG       LYS   2 -12.513  -3.359   3.948
   18   1HD   LYS   2          2HD       LYS   2  -9.874  -2.855   4.065
   19   2HD   LYS   2          1HD       LYS   2 -10.467  -1.195   3.972
   20   1HE   LYS   2          2HE       LYS   2 -10.421  -1.691   6.309
   21   2HE   LYS   2          1HE       LYS   2 -12.123  -1.897   5.849
   22   1HZ   LYS   2          2HZ       LYS   2 -10.211  -4.136   5.636
   23   2HZ   LYS   2          1HZ       LYS   2 -10.989  -3.804   7.109
   24   3HZ   LYS   2          3HZ       LYS   2 -11.905  -4.192   5.736
   25    H    CYS   3           H        CYS   3  -7.963  -1.972   0.878
   26    HA   CYS   3           HA       CYS   3  -7.455  -3.568  -1.406
   27   1HB   CYS   3          2HB       CYS   3  -6.106  -1.756   0.060
   28   2HB   CYS   3          1HB       CYS   3  -5.325  -3.224   0.644
   29    H    ARG   4           H        ARG   4  -5.241  -5.134  -0.648
   30    HA   ARG   4           HA       ARG   4  -6.270  -7.174   1.250
   31   1HB   ARG   4          2HB       ARG   4  -7.319  -7.903  -0.736
   32   2HB   ARG   4          1HB       ARG   4  -5.927  -7.471  -1.728
   33   1HG   ARG   4          2HG       ARG   4  -5.224  -9.404   0.338
   34   2HG   ARG   4          1HG       ARG   4  -6.493 -10.008  -0.729
   35   1HD   ARG   4          2HD       ARG   4  -4.499  -8.660  -2.318
   36   2HD   ARG   4          1HD       ARG   4  -3.719  -9.882  -1.295
   37    HE   ARG   4           HE       ARG   4  -6.146 -10.547  -2.917
   38   1HH1  ARG   4          1HH2      ARG   4  -5.725 -12.928  -1.776
   39   2HH1  ARG   4          2HH2      ARG   4  -4.370 -13.683  -2.549
   40   1HH2  ARG   4          2HH1      ARG   4  -3.186 -10.737  -3.942
   41   2HH2  ARG   4          1HH1      ARG   4  -2.934 -12.442  -3.776
   42    H    ARG   5           H        ARG   5  -3.641  -6.062  -0.874
   43    HA   ARG   5           HA       ARG   5  -1.696  -7.151   1.080
   44   1HB   ARG   5          2HB       ARG   5  -2.276  -8.952  -0.557
   45   2HB   ARG   5          1HB       ARG   5  -1.684  -7.911  -1.852
   46   1HG   ARG   5          2HG       ARG   5   0.279  -8.031   0.254
   47   2HG   ARG   5          1HG       ARG   5  -0.164  -9.668  -0.232
   48   1HD   ARG   5          2HD       ARG   5   0.121  -7.963  -2.568
   49   2HD   ARG   5          1HD       ARG   5   1.605  -7.960  -1.593
   50    HE   ARG   5           HE       ARG   5   0.678 -10.634  -1.691
   51   1HH1  ARG   5          1HH1      ARG   5   1.914  -9.526  -5.241
   52   2HH1  ARG   5          2HH1      ARG   5   0.724  -8.631  -4.355
   53   1HH2  ARG   5          1HH2      ARG   5   2.710 -11.609  -2.586
   54   2HH2  ARG   5          2HH2      ARG   5   3.038 -11.212  -4.239
   55    H    TRP   6           H        TRP   6  -1.039  -4.944   1.413
   56    HA   TRP   6           HA       TRP   6  -0.309  -3.157  -0.702
   57   1HB   TRP   6          2HB       TRP   6   0.414  -3.385   2.233
   58   2HB   TRP   6          1HB       TRP   6   0.778  -1.975   1.238
   59    HD1  TRP   6           HD1      TRP   6  -2.166  -3.942   2.621
   60    HE1  TRP   6           HE1      TRP   6  -4.257  -2.435   2.517
   61    HE3  TRP   6           HE3      TRP   6  -0.221  -0.008   0.131
   62    HZ2  TRP   6           HZ2      TRP   6  -4.996   0.156   1.501
   63    HZ3  TRP   6           HZ3      TRP   6  -1.606   1.991  -0.410
   64    HH2  TRP   6           HH2      TRP   6  -3.993   2.072   0.273
   65    H    GLN   7           H        GLN   7   1.233  -4.014  -2.150
   66    HA   GLN   7           HA       GLN   7   3.600  -5.447  -1.129
   67   1HB   GLN   7          2HB       GLN   7   2.648  -6.332  -3.105
   68   2HB   GLN   7          1HB       GLN   7   2.428  -4.734  -3.817
   69   1HG   GLN   7          2HG       GLN   7   4.316  -5.879  -4.887
   70   2HG   GLN   7          1HG       GLN   7   4.892  -4.484  -3.975
   71   1HE2  GLN   7          2HE2      GLN   7   5.550  -8.186  -2.287
   72   2HE2  GLN   7          1HE2      GLN   7   4.112  -7.920  -3.149
   73    H    TRP   8           H        TRP   8   5.173  -4.116  -0.258
   74    HA   TRP   8           HA       TRP   8   5.618  -1.404  -0.618
   75   1HB   TRP   8          2HB       TRP   8   7.333  -3.783  -0.032
   76   2HB   TRP   8          1HB       TRP   8   8.097  -2.202  -0.216
   77    HD1  TRP   8           HD1      TRP   8   6.195  -4.260   2.173
   78    HE1  TRP   8           HE1      TRP   8   5.605  -2.909   4.277
   79    HE3  TRP   8           HE3      TRP   8   7.362   0.377   0.544
   80    HZ2  TRP   8           HZ2      TRP   8   5.631  -0.182   5.157
   81    HZ3  TRP   8           HZ3      TRP   8   7.078   2.359   2.012
   82    HH2  TRP   8           HH2      TRP   8   6.211   2.083   4.319
   83    H    ARG   9           H        ARG   9   5.631  -0.443  -2.640
   84    HA   ARG   9           HA       ARG   9   6.844  -1.731  -4.969
   85   1HB   ARG   9          2HB       ARG   9   5.644   0.982  -4.358
   86   2HB   ARG   9          1HB       ARG   9   6.243   0.548  -5.957
   87   1HG   ARG   9          2HG       ARG   9   4.707  -1.607  -5.504
   88   2HG   ARG   9          1HG       ARG   9   3.839  -0.442  -4.504
   89   1HD   ARG   9          2HD       ARG   9   2.826   0.256  -6.415
   90   2HD   ARG   9          1HD       ARG   9   4.392   0.945  -6.884
   91    HE   ARG   9           HE       ARG   9   4.122  -1.939  -7.388
   92   1HH1  ARG   9          1HH2      ARG   9   5.999  -0.289  -8.953
   93   2HH1  ARG   9          2HH2      ARG   9   5.152  -0.043 -10.444
   94   1HH2  ARG   9          2HH1      ARG   9   2.066  -0.949  -9.149
   95   2HH2  ARG   9          1HH1      ARG   9   2.926  -0.417 -10.555
   96    H    MET  10           H        MET  10   8.391  -0.122  -6.283
   97    HA   MET  10           HA       MET  10  10.751   0.280  -4.577
   98   1HB   MET  10          2HB       MET  10  10.547   1.058  -7.470
   99   2HB   MET  10          1HB       MET  10  11.901   0.337  -6.611
  100   1HG   MET  10          2HG       MET  10  11.243  -1.624  -7.525
  101   2HG   MET  10          1HG       MET  10   9.925  -1.584  -6.354
  102   1HE   MET  10          3HE       MET  10  11.386  -0.635  -9.455
  103   2HE   MET  10          2HE       MET  10  10.334  -1.537 -10.543
  104   3HE   MET  10          1HE       MET  10  10.164   0.212 -10.415
  105    H    LYS  11           H        LYS  11  11.833   2.331  -4.394
  106    HA   LYS  11           HA       LYS  11  10.564   4.783  -5.400
  107   1HB   LYS  11          2HB       LYS  11   9.478   3.659  -3.165
  108   2HB   LYS  11          1HB       LYS  11  10.697   4.713  -2.447
  109   1HG   LYS  11          2HG       LYS  11   8.714   6.038  -2.645
  110   2HG   LYS  11          1HG       LYS  11   9.786   6.569  -3.940
  111   1HD   LYS  11          2HD       LYS  11   8.499   5.592  -5.596
  112   2HD   LYS  11          1HD       LYS  11   7.876   4.341  -4.519
  113   1HE   LYS  11          2HE       LYS  11   6.754   6.428  -3.297
  114   2HE   LYS  11          1HE       LYS  11   6.912   7.150  -4.910
  115   1HZ   LYS  11          3HZ       LYS  11   5.843   4.419  -4.485
  116   2HZ   LYS  11          2HZ       LYS  11   4.838   5.789  -4.516
  117   3HZ   LYS  11          1HZ       LYS  11   5.751   5.369  -5.887
  118    H    LYS  12           H        LYS  12  11.604   6.424  -3.328
  119    HA   LYS  12           HA       LYS  12  14.245   6.983  -4.173
  120   1HB   LYS  12          2HB       LYS  12  12.996   7.489  -1.465
  121   2HB   LYS  12          1HB       LYS  12  14.248   8.453  -2.250
  122   1HG   LYS  12          2HG       LYS  12  12.679   9.663  -3.310
  123   2HG   LYS  12          1HG       LYS  12  12.033   8.199  -4.052
  124   1HD   LYS  12          2HD       LYS  12  10.171   8.741  -2.840
  125   2HD   LYS  12          1HD       LYS  12  11.044   7.926  -1.543
  126   1HE   LYS  12          2HE       LYS  12  10.393  10.028  -0.609
  127   2HE   LYS  12          1HE       LYS  12  12.095  10.255  -1.060
  128   1HZ   LYS  12          2HZ       LYS  12  10.964  10.821  -3.363
  129   2HZ   LYS  12          1HZ       LYS  12   9.680  11.281  -2.350
  130   3HZ   LYS  12          3HZ       LYS  12  11.203  12.008  -2.172
  131    H    LEU  13           H        LEU  13  15.315   7.145  -1.398
  132    HA   LEU  13           HA       LEU  13  17.214   5.178  -1.293
  133   1HB   LEU  13          2HB       LEU  13  15.962   7.047   0.488
  134   2HB   LEU  13          1HB       LEU  13  16.275   5.553   1.371
  135    HG   LEU  13           HG       LEU  13  18.525   6.167  -0.315
  136   1HD1  LEU  13          3HD1      LEU  13  17.260   8.494   0.484
  137   2HD1  LEU  13          2HD1      LEU  13  18.455   8.245   1.757
  138   3HD1  LEU  13          1HD1      LEU  13  18.969   8.356   0.073
  139   1HD2  LEU  13          3HD2      LEU  13  17.891   5.279   2.352
  140   2HD2  LEU  13          2HD2      LEU  13  19.400   5.086   1.459
  141   3HD2  LEU  13          1HD2      LEU  13  19.130   6.530   2.434
  142    H    GLY  14           H        GLY  14  17.306   3.328   0.423
  143   1HA   GLY  14          2HA       GLY  14  15.927   1.099  -0.260
  144   2HA   GLY  14          1HA       GLY  14  16.380   1.380   1.419
  145    H    ALA  15           H        ALA  15  14.594   3.725   1.668
  146    HA   ALA  15           HA       ALA  15  12.277   2.539   2.736
  147   1HB   ALA  15          3HB       ALA  15  12.891   5.258   1.562
  148   2HB   ALA  15          2HB       ALA  15  11.345   4.911   2.336
  149   3HB   ALA  15          1HB       ALA  15  12.840   4.794   3.263
  150    HA   PRO  16           HA       PRO  16  10.509   1.420  -1.266
  151   1HB   PRO  16          2HB       PRO  16   8.826  -0.501  -0.242
  152   2HB   PRO  16          1HB       PRO  16  10.546  -0.785  -0.598
  153   1HG   PRO  16          2HG       PRO  16   9.193  -0.345   1.997
  154   2HG   PRO  16          1HG       PRO  16  10.620  -1.316   1.615
  155   1HD   PRO  16          2HD       PRO  16  10.640   1.200   2.798
  156   2HD   PRO  16          1HD       PRO  16  12.027   0.408   2.023
  157    H    SER  17           H        SER  17   7.966   1.005  -1.750
  158    HA   SER  17           HA       SER  17   6.358   2.994  -0.186
  159   1HB   SER  17          2HB       SER  17   6.693   2.724  -3.190
  160   2HB   SER  17          1HB       SER  17   5.508   3.775  -2.420
  161    HG   SER  17           HG       SER  17   8.242   3.892  -1.735
  162    H    ILE  18           H        ILE  18   5.065   1.352   0.783
  163    HA   ILE  18           HA       ILE  18   3.930  -0.842  -0.759
  164    HB   ILE  18           HB       ILE  18   4.467  -0.320   1.869
  165   1HG1  ILE  18          2HG1      ILE  18   2.384  -2.285   0.883
  166   2HG1  ILE  18          1HG1      ILE  18   4.121  -2.522   0.745
  167   1HG2  ILE  18          1HG2      ILE  18   1.483   0.002   1.499
  168   2HG2  ILE  18          3HG2      ILE  18   2.254  -0.370   3.041
  169   3HG2  ILE  18          2HG2      ILE  18   2.595   1.159   2.231
  170   1HD1  ILE  18          1HD1      ILE  18   3.802  -1.849   3.411
  171   2HD1  ILE  18          3HD1      ILE  18   2.383  -2.842   3.079
  172   3HD1  ILE  18          2HD1      ILE  18   3.998  -3.487   2.787
  173    H    THR  19           H        THR  19   2.310  -0.553  -2.194
  174    HA   THR  19           HA       THR  19   0.291   1.602  -1.668
  175    HB   THR  19           HB       THR  19   1.135   0.303  -4.280
  176    HG1  THR  19           HG1      THR  19   2.854   1.464  -3.800
  177   1HG2  THR  19          1HG2      THR  19  -0.763   2.478  -3.497
  178   2HG2  THR  19          3HG2      THR  19   0.111   2.636  -5.021
  179   3HG2  THR  19          2HG2      THR  19  -0.930   1.240  -4.743
  180    H    CYS  20           H        CYS  20  -1.870   0.963  -2.900
  181    HA   CYS  20           HA       CYS  20  -2.762  -1.580  -1.760
  182   1HB   CYS  20          2HB       CYS  20  -4.139   0.456  -1.767
  183   2HB   CYS  20          1HB       CYS  20  -4.082   0.505  -3.530
  184    H    VAL  21           H        VAL  21  -2.612  -3.518  -2.845
  185    HA   VAL  21           HA       VAL  21  -2.368  -3.421  -5.820
  186    HB   VAL  21           HB       VAL  21  -0.921  -5.276  -5.649
  187   1HG1  VAL  21          2HG1      VAL  21  -0.612  -3.708  -3.075
  188   2HG1  VAL  21          1HG1      VAL  21   0.590  -4.836  -3.698
  189   3HG1  VAL  21          3HG1      VAL  21   0.186  -3.384  -4.615
  190   1HG2  VAL  21          1HG2      VAL  21  -2.203  -5.785  -2.950
  191   2HG2  VAL  21          3HG2      VAL  21  -2.365  -6.770  -4.403
  192   3HG2  VAL  21          2HG2      VAL  21  -0.816  -6.684  -3.564
  193    H    ARG  22           H        ARG  22  -4.801  -3.446  -4.129
  194    HA   ARG  22           HA       ARG  22  -6.289  -5.468  -5.642
  195   1HB   ARG  22          2HB       ARG  22  -5.164  -6.628  -3.667
  196   2HB   ARG  22          1HB       ARG  22  -6.204  -5.660  -2.621
  197   1HG   ARG  22          2HG       ARG  22  -7.786  -7.245  -2.884
  198   2HG   ARG  22          1HG       ARG  22  -7.931  -6.714  -4.559
  199   1HD   ARG  22          2HD       ARG  22  -5.731  -8.630  -3.822
  200   2HD   ARG  22          1HD       ARG  22  -7.378  -9.240  -4.074
  201    HE   ARG  22           HE       ARG  22  -5.631  -8.203  -6.151
  202   1HH1  ARG  22          1HH2      ARG  22  -7.165  -6.467  -7.307
  203   2HH1  ARG  22          2HH2      ARG  22  -8.606  -7.223  -7.899
  204   1HH2  ARG  22          2HH1      ARG  22  -8.237 -10.063  -5.943
  205   2HH2  ARG  22          1HH1      ARG  22  -9.213  -9.259  -7.127
  206    H    ARG  23           H        ARG  23  -8.416  -4.764  -5.872
  207    HA   ARG  23           HA       ARG  23  -9.215  -2.385  -4.258
  208   1HB   ARG  23          2HB       ARG  23 -10.179  -3.492  -6.917
  209   2HB   ARG  23          1HB       ARG  23 -10.686  -1.968  -6.199
  210   1HG   ARG  23          2HG       ARG  23  -8.252  -1.271  -6.188
  211   2HG   ARG  23          1HG       ARG  23  -7.915  -2.709  -7.152
  212   1HD   ARG  23          2HD       ARG  23  -8.486  -1.544  -9.009
  213   2HD   ARG  23          1HD       ARG  23 -10.134  -1.387  -8.367
  214    HE   ARG  23           HE       ARG  23  -8.271   0.464  -7.110
  215   1HH1  ARG  23          1HH2      ARG  23  -9.276   0.061 -10.294
  216   2HH1  ARG  23          2HH2      ARG  23  -9.975   1.638 -10.455
  217   1HH2  ARG  23          2HH1      ARG  23  -9.621   2.427  -7.097
  218   2HH2  ARG  23          1HH1      ARG  23 -10.171   2.977  -8.644
  219    H    ALA  24           H        ALA  24  -9.538  -4.683  -2.840
  220    HA   ALA  24           HA       ALA  24 -12.174  -5.892  -3.313
  221   1HB   ALA  24          2HB       ALA  24 -10.002  -6.926  -2.341
  222   2HB   ALA  24          1HB       ALA  24 -10.451  -6.114  -0.843
  223   3HB   ALA  24          3HB       ALA  24 -11.521  -7.329  -1.543
  224    H    PHE  25           HN       PHE  25 -13.600  -4.039  -3.102
  225    HA   PHE  25           HA       PHE  25 -13.739  -2.055  -1.210
  226   1HB   PHE  25          2HB       PHE  25 -15.708  -3.764  -2.653
  227   2HB   PHE  25          1HB       PHE  25 -16.339  -2.744  -1.360
  228    HD1  PHE  25           HD2      PHE  25 -14.285  -2.675  -4.475
  229    HD2  PHE  25           HD1      PHE  25 -16.630  -0.417  -1.673
  230    HE1  PHE  25           HE2      PHE  25 -14.174  -0.701  -5.972
  231    HE2  PHE  25           HE1      PHE  25 -16.519   1.557  -3.170
  232    HZ   PHE  25           HZ       PHE  25 -15.291   1.415  -5.320
   
  No H/Q in entry =         232
  Start of MODEL   14
    1   1H    PHE   1          1H        PHE   1  -9.943   2.340   1.984
    2   2H    PHE   1          3H        PHE   1  -9.896   3.777   1.085
    3   3H    PHE   1          2H        PHE   1 -11.216   2.721   0.924
    4    HA   PHE   1           HA       PHE   1 -10.058   2.120  -0.941
    5   1HB   PHE   1          2HB       PHE   1  -8.309   3.863   0.002
    6   2HB   PHE   1          1HB       PHE   1  -7.429   2.413   0.483
    7    HD1  PHE   1           HD1      PHE   1  -8.625   0.735  -1.900
    8    HD2  PHE   1           HD2      PHE   1  -6.598   4.513  -1.640
    9    HE1  PHE   1           HE1      PHE   1  -7.809   0.457  -4.225
   10    HE2  PHE   1           HE2      PHE   1  -5.782   4.235  -3.966
   11    HZ   PHE   1           HZ       PHE   1  -6.387   2.207  -5.259
   12    H    LYS   2           H        LYS   2 -11.164   0.270   0.654
   13    HA   LYS   2           HA       LYS   2  -9.712  -1.621   2.071
   14   1HB   LYS   2          2HB       LYS   2 -11.913  -1.928   0.009
   15   2HB   LYS   2          1HB       LYS   2 -11.401  -3.241   1.071
   16   1HG   LYS   2          2HG       LYS   2 -11.982  -0.648   2.395
   17   2HG   LYS   2          1HG       LYS   2 -13.371  -1.507   1.728
   18   1HD   LYS   2          2HD       LYS   2 -12.717  -3.538   2.968
   19   2HD   LYS   2          1HD       LYS   2 -11.328  -2.680   3.638
   20   1HE   LYS   2          2HE       LYS   2 -14.018  -1.414   3.983
   21   2HE   LYS   2          1HE       LYS   2 -13.624  -2.819   4.994
   22   1HZ   LYS   2          1HZ       LYS   2 -11.442  -1.711   5.435
   23   2HZ   LYS   2          3HZ       LYS   2 -12.060  -0.314   4.697
   24   3HZ   LYS   2          2HZ       LYS   2 -12.784  -0.917   6.110
   25    H    CYS   3           H        CYS   3  -8.093  -3.068   1.572
   26    HA   CYS   3           HA       CYS   3  -7.496  -3.569  -1.328
   27   1HB   CYS   3          2HB       CYS   3  -6.043  -1.968   0.283
   28   2HB   CYS   3          1HB       CYS   3  -5.299  -3.515   0.676
   29    H    ARG   4           H        ARG   4  -5.330  -5.288  -0.796
   30    HA   ARG   4           HA       ARG   4  -6.392  -7.464   0.925
   31   1HB   ARG   4          2HB       ARG   4  -7.522  -7.929  -1.107
   32   2HB   ARG   4          1HB       ARG   4  -6.117  -7.497  -2.078
   33   1HG   ARG   4          2HG       ARG   4  -5.464  -9.624  -0.216
   34   2HG   ARG   4          1HG       ARG   4  -6.834 -10.074  -1.233
   35   1HD   ARG   4          2HD       ARG   4  -5.206  -8.940  -3.101
   36   2HD   ARG   4          1HD       ARG   4  -4.003  -9.625  -1.990
   37    HE   ARG   4           HE       ARG   4  -6.046 -11.167  -3.484
   38   1HH1  ARG   4          1HH2      ARG   4  -4.437 -11.228  -0.513
   39   2HH1  ARG   4          2HH2      ARG   4  -3.807 -12.831  -0.700
   40   1HH2  ARG   4          2HH1      ARG   4  -4.870 -13.151  -3.985
   41   2HH2  ARG   4          1HH1      ARG   4  -4.051 -13.919  -2.666
   42    H    ARG   5           H        ARG   5  -3.796  -6.283  -1.198
   43    HA   ARG   5           HA       ARG   5  -1.822  -7.589   0.589
   44   1HB   ARG   5          2HB       ARG   5  -2.414  -9.294  -1.061
   45   2HB   ARG   5          1HB       ARG   5  -2.106  -8.158  -2.375
   46   1HG   ARG   5          2HG       ARG   5   0.232  -8.071  -0.862
   47   2HG   ARG   5          1HG       ARG   5  -0.215  -9.778  -0.853
   48   1HD   ARG   5          2HD       ARG   5   0.194 -10.022  -3.092
   49   2HD   ARG   5          1HD       ARG   5  -0.472  -8.423  -3.482
   50    HE   ARG   5           HE       ARG   5   1.666  -7.453  -3.025
   51   1HH1  ARG   5          1HH2      ARG   5   1.651  -9.993  -0.913
   52   2HH1  ARG   5          2HH2      ARG   5   3.272 -10.521  -1.221
   53   1HH2  ARG   5          2HH1      ARG   5   3.699  -8.470  -3.984
   54   2HH2  ARG   5          1HH1      ARG   5   4.431  -9.659  -2.959
   55    H    TRP   6           H        TRP   6  -1.154  -5.383   1.045
   56    HA   TRP   6           HA       TRP   6  -0.450  -3.460  -0.929
   57   1HB   TRP   6          2HB       TRP   6   0.437  -3.980   1.920
   58   2HB   TRP   6          1HB       TRP   6   0.796  -2.494   1.037
   59    HD1  TRP   6           HD1      TRP   6  -2.133  -4.483   2.427
   60    HE1  TRP   6           HE1      TRP   6  -4.172  -2.908   2.572
   61    HE3  TRP   6           HE3      TRP   6  -0.197  -0.412   0.147
   62    HZ2  TRP   6           HZ2      TRP   6  -4.876  -0.222   1.815
   63    HZ3  TRP   6           HZ3      TRP   6  -1.544   1.664  -0.145
   64    HH2  TRP   6           HH2      TRP   6  -3.882   1.759   0.688
   65    H    GLN   7           H        GLN   7   1.104  -3.885  -2.494
   66    HA   GLN   7           HA       GLN   7   3.413  -5.622  -1.849
   67   1HB   GLN   7          2HB       GLN   7   3.690  -5.619  -4.258
   68   2HB   GLN   7          1HB       GLN   7   1.977  -5.830  -3.910
   69   1HG   GLN   7          2HG       GLN   7   1.853  -3.239  -4.085
   70   2HG   GLN   7          1HG       GLN   7   3.406  -3.374  -4.910
   71   1HE2  GLN   7          2HE2      GLN   7   0.828  -3.597  -7.564
   72   2HE2  GLN   7          1HE2      GLN   7   1.390  -2.410  -6.488
   73    H    TRP   8           H        TRP   8   5.232  -4.617  -1.047
   74    HA   TRP   8           HA       TRP   8   5.708  -1.837  -0.945
   75   1HB   TRP   8          2HB       TRP   8   7.321  -4.346  -0.727
   76   2HB   TRP   8          1HB       TRP   8   8.159  -2.792  -0.728
   77    HD1  TRP   8           HD1      TRP   8   6.267  -5.063   1.451
   78    HE1  TRP   8           HE1      TRP   8   5.775  -3.965   3.721
   79    HE3  TRP   8           HE3      TRP   8   7.500  -0.294   0.352
   80    HZ2  TRP   8           HZ2      TRP   8   5.899  -1.365   4.922
   81    HZ3  TRP   8           HZ3      TRP   8   7.313   1.504   2.055
   82    HH2  TRP   8           HH2      TRP   8   6.511   0.971   4.341
   83    H    ARG   9           H        ARG   9   5.664  -0.651  -2.859
   84    HA   ARG   9           HA       ARG   9   6.820  -1.666  -5.345
   85   1HB   ARG   9          2HB       ARG   9   5.627   0.939  -4.375
   86   2HB   ARG   9          1HB       ARG   9   6.259   0.759  -6.010
   87   1HG   ARG   9          2HG       ARG   9   4.687  -1.500  -5.704
   88   2HG   ARG   9          1HG       ARG   9   3.764  -0.256  -4.862
   89   1HD   ARG   9          2HD       ARG   9   3.278   0.857  -6.797
   90   2HD   ARG   9          1HD       ARG   9   4.906   0.602  -7.458
   91    HE   ARG   9           HE       ARG   9   2.873  -1.597  -7.358
   92   1HH1  ARG   9          1HH2      ARG   9   5.990  -1.283  -8.229
   93   2HH1  ARG   9          2HH2      ARG   9   5.789  -1.618  -9.918
   94   1HH2  ARG   9          2HH1      ARG   9   2.331  -1.385  -9.823
   95   2HH2  ARG   9          1HH1      ARG   9   3.718  -1.676 -10.820
   96    H    MET  10           H        MET  10   8.341   0.135  -6.478
   97    HA   MET  10           HA       MET  10  10.775   0.218  -4.848
   98   1HB   MET  10          2HB       MET  10  10.412   1.543  -7.522
   99   2HB   MET  10          1HB       MET  10  11.817   0.693  -6.893
  100   1HG   MET  10          2HG       MET  10  10.169  -1.380  -6.889
  101   2HG   MET  10          1HG       MET  10   9.321  -0.429  -8.108
  102   1HE   MET  10          2HE       MET  10  12.309  -1.782  -6.721
  103   2HE   MET  10          1HE       MET  10  12.901  -2.837  -8.001
  104   3HE   MET  10          3HE       MET  10  13.616  -1.237  -7.769
  105    H    LYS  11           H        LYS  11  11.916   2.196  -4.360
  106    HA   LYS  11           HA       LYS  11  10.550   4.781  -4.743
  107   1HB   LYS  11          2HB       LYS  11   9.584   3.451  -2.723
  108   2HB   LYS  11          1HB       LYS  11  11.112   3.842  -1.931
  109   1HG   LYS  11          2HG       LYS  11  10.099   6.214  -3.188
  110   2HG   LYS  11          1HG       LYS  11   8.819   5.505  -2.203
  111   1HD   LYS  11          2HD       LYS  11  11.076   5.251  -0.603
  112   2HD   LYS  11          1HD       LYS  11  11.286   6.829  -1.363
  113   1HE   LYS  11          2HE       LYS  11   9.041   7.514  -0.622
  114   2HE   LYS  11          1HE       LYS  11   8.786   5.917   0.110
  115   1HZ   LYS  11          3HZ       LYS  11  10.932   6.325   1.334
  116   2HZ   LYS  11          2HZ       LYS  11  10.825   7.946   0.833
  117   3HZ   LYS  11          1HZ       LYS  11   9.619   7.278   1.828
  118    H    LYS  12           H        LYS  12  11.914   6.534  -3.522
  119    HA   LYS  12           HA       LYS  12  14.678   6.260  -4.339
  120   1HB   LYS  12          2HB       LYS  12  13.574   8.310  -2.417
  121   2HB   LYS  12          1HB       LYS  12  14.827   8.518  -3.638
  122   1HG   LYS  12          2HG       LYS  12  13.239   9.271  -5.044
  123   2HG   LYS  12          1HG       LYS  12  12.554   7.645  -5.050
  124   1HD   LYS  12          2HD       LYS  12  10.722   8.849  -4.300
  125   2HD   LYS  12          1HD       LYS  12  11.484   8.460  -2.757
  126   1HE   LYS  12          2HE       LYS  12  11.018  10.818  -2.681
  127   2HE   LYS  12          1HE       LYS  12  12.757  10.690  -3.013
  128   1HZ   LYS  12          2HZ       LYS  12  10.792  10.711  -5.216
  129   2HZ   LYS  12          1HZ       LYS  12  11.348  12.169  -4.546
  130   3HZ   LYS  12          3HZ       LYS  12  12.446  11.093  -5.263
  131    H    LEU  13           H        LEU  13  16.141   7.361  -2.297
  132    HA   LEU  13           HA       LEU  13  16.932   5.201  -0.703
  133   1HB   LEU  13          2HB       LEU  13  18.177   6.895   0.525
  134   2HB   LEU  13          1HB       LEU  13  18.143   7.347  -1.180
  135    HG   LEU  13           HG       LEU  13  15.823   8.378   0.251
  136   1HD1  LEU  13          1HD1      LEU  13  18.587   9.228   1.173
  137   2HD1  LEU  13          3HD1      LEU  13  17.090  10.076   1.558
  138   3HD1  LEU  13          2HD1      LEU  13  17.356   8.441   2.162
  139   1HD2  LEU  13          3HD2      LEU  13  17.863   9.207  -1.716
  140   2HD2  LEU  13          2HD2      LEU  13  16.140   9.578  -1.659
  141   3HD2  LEU  13          1HD2      LEU  13  17.276  10.512  -0.685
  142    H    GLY  14           H        GLY  14  16.605   4.793   1.599
  143   1HA   GLY  14          2HA       GLY  14  15.433   5.401   3.697
  144   2HA   GLY  14          1HA       GLY  14  14.097   5.979   2.703
  145    H    ALA  15           H        ALA  15  13.108   4.253   1.261
  146    HA   ALA  15           HA       ALA  15  13.417   1.455   1.908
  147   1HB   ALA  15          2HB       ALA  15  11.914   3.153   3.709
  148   2HB   ALA  15          1HB       ALA  15  10.867   1.909   3.026
  149   3HB   ALA  15          3HB       ALA  15  12.335   1.449   3.888
  150    HA   PRO  16           HA       PRO  16  10.611   0.908  -1.428
  151   1HB   PRO  16          2HB       PRO  16   8.917  -1.100  -0.587
  152   2HB   PRO  16          1HB       PRO  16  10.617  -1.370  -1.036
  153   1HG   PRO  16          2HG       PRO  16   9.379  -1.134   1.656
  154   2HG   PRO  16          1HG       PRO  16  10.689  -2.186   1.104
  155   1HD   PRO  16          2HD       PRO  16  11.078   0.097   2.555
  156   2HD   PRO  16          1HD       PRO  16  12.287  -0.596   1.452
  157    H    SER  17           H        SER  17   8.037   0.598  -1.866
  158    HA   SER  17           HA       SER  17   6.530   2.409  -0.013
  159   1HB   SER  17          2HB       SER  17   7.027   2.577  -2.977
  160   2HB   SER  17          1HB       SER  17   5.563   3.275  -2.293
  161    HG   SER  17           HG       SER  17   8.168   3.802  -1.305
  162    H    ILE  18           H        ILE  18   5.229   0.683   0.791
  163    HA   ILE  18           HA       ILE  18   4.002  -1.280  -0.974
  164    HB   ILE  18           HB       ILE  18   4.627  -1.130   1.665
  165   1HG1  ILE  18          2HG1      ILE  18   2.366  -2.831   0.598
  166   2HG1  ILE  18          1HG1      ILE  18   4.061  -3.135   0.248
  167   1HG2  ILE  18          3HG2      ILE  18   1.650  -0.628   1.488
  168   2HG2  ILE  18          2HG2      ILE  18   2.489  -1.173   2.940
  169   3HG2  ILE  18          1HG2      ILE  18   2.850   0.412   2.256
  170   1HD1  ILE  18          2HD1      ILE  18   4.014  -2.807   3.010
  171   2HD1  ILE  18          1HD1      ILE  18   2.541  -3.717   2.670
  172   3HD1  ILE  18          3HD1      ILE  18   4.106  -4.346   2.154
  173    H    THR  19           H        THR  19   2.350  -0.795  -2.313
  174    HA   THR  19           HA       THR  19   0.423   1.356  -1.506
  175    HB   THR  19           HB       THR  19   1.088   0.235  -4.249
  176    HG1  THR  19           HG1      THR  19   1.890   2.751  -3.317
  177   1HG2  THR  19          1HG2      THR  19  -0.607   2.494  -3.222
  178   2HG2  THR  19          3HG2      THR  19   0.115   2.590  -4.828
  179   3HG2  THR  19          2HG2      THR  19  -0.998   1.278  -4.438
  180    H    CYS  20           H        CYS  20  -1.816   0.894  -2.665
  181    HA   CYS  20           HA       CYS  20  -2.753  -1.700  -1.687
  182   1HB   CYS  20          2HB       CYS  20  -4.039   0.384  -1.457
  183   2HB   CYS  20          1HB       CYS  20  -4.077   0.569  -3.210
  184    H    VAL  21           H        VAL  21  -2.760  -3.546  -2.932
  185    HA   VAL  21           HA       VAL  21  -2.639  -3.213  -5.898
  186    HB   VAL  21           HB       VAL  21  -1.293  -5.151  -5.944
  187   1HG1  VAL  21          1HG1      VAL  21  -0.785  -3.840  -3.257
  188   2HG1  VAL  21          3HG1      VAL  21   0.337  -4.939  -4.059
  189   3HG1  VAL  21          2HG1      VAL  21  -0.060  -3.389  -4.801
  190   1HG2  VAL  21          2HG2      VAL  21  -2.506  -5.812  -3.244
  191   2HG2  VAL  21          1HG2      VAL  21  -2.767  -6.667  -4.765
  192   3HG2  VAL  21          3HG2      VAL  21  -1.191  -6.731  -3.976
  193    H    ARG  22           H        ARG  22  -5.004  -3.260  -4.103
  194    HA   ARG  22           HA       ARG  22  -6.650  -5.080  -5.709
  195   1HB   ARG  22          2HB       ARG  22  -5.549  -6.496  -3.941
  196   2HB   ARG  22          1HB       ARG  22  -6.366  -5.518  -2.721
  197   1HG   ARG  22          2HG       ARG  22  -8.013  -7.079  -2.918
  198   2HG   ARG  22          1HG       ARG  22  -8.460  -6.154  -4.352
  199   1HD   ARG  22          2HD       ARG  22  -7.167  -7.639  -5.786
  200   2HD   ARG  22          1HD       ARG  22  -6.538  -8.510  -4.372
  201    HE   ARG  22           HE       ARG  22  -8.788  -9.354  -3.947
  202   1HH1  ARG  22          2HH1      ARG  22 -10.390  -7.117  -5.092
  203   2HH1  ARG  22          1HH1      ARG  22 -10.989  -7.803  -6.565
  204   1HH2  ARG  22          1HH2      ARG  22  -8.699 -10.407  -6.591
  205   2HH2  ARG  22          2HH2      ARG  22 -10.032  -9.667  -7.414
  206    H    ARG  23           H        ARG  23  -8.763  -4.287  -5.769
  207    HA   ARG  23           HA       ARG  23  -9.384  -2.026  -3.920
  208   1HB   ARG  23          2HB       ARG  23 -10.466  -2.797  -6.652
  209   2HB   ARG  23          1HB       ARG  23 -10.862  -1.328  -5.770
  210   1HG   ARG  23          2HG       ARG  23  -8.381  -0.794  -5.751
  211   2HG   ARG  23          1HG       ARG  23  -8.171  -2.128  -6.885
  212   1HD   ARG  23          2HD       ARG  23 -10.316  -0.211  -7.607
  213   2HD   ARG  23          1HD       ARG  23  -8.663   0.431  -7.683
  214    HE   ARG  23           HE       ARG  23  -9.585  -2.016  -9.137
  215   1HH1  ARG  23          1HH2      ARG  23  -6.819  -0.365  -8.187
  216   2HH1  ARG  23          2HH2      ARG  23  -6.132  -0.246  -9.772
  217   1HH2  ARG  23          2HH1      ARG  23  -8.958  -1.461 -11.374
  218   2HH2  ARG  23          1HH1      ARG  23  -7.344  -0.866 -11.577
  219    H    ALA  24           H        ALA  24  -9.802  -4.444  -2.743
  220    HA   ALA  24           HA       ALA  24 -12.484  -5.496  -3.279
  221   1HB   ALA  24          3HB       ALA  24 -10.430  -5.919  -1.084
  222   2HB   ALA  24          2HB       ALA  24 -11.905  -6.871  -1.255
  223   3HB   ALA  24          1HB       ALA  24 -10.667  -6.929  -2.510
  224    H    PHE  25           HN       PHE  25 -13.526  -3.275  -2.968
  225    HA   PHE  25           HA       PHE  25 -13.620  -1.682  -0.735
  226   1HB   PHE  25          2HB       PHE  25 -15.883  -1.179  -1.414
  227   2HB   PHE  25          1HB       PHE  25 -14.982  -1.587  -2.875
  228    HD1  PHE  25           HD1      PHE  25 -17.485  -2.779  -0.431
  229    HD2  PHE  25           HD2      PHE  25 -15.412  -3.638  -4.094
  230    HE1  PHE  25           HE1      PHE  25 -19.081  -4.618  -0.904
  231    HE2  PHE  25           HE2      PHE  25 -17.007  -5.476  -4.567
  232    HZ   PHE  25           HZ       PHE  25 -18.842  -5.967  -2.972
   
  No H/Q in entry =         232
  Start of MODEL   15
    1   1H    PHE   1          1H        PHE   1 -10.917   2.152   2.532
    2   2H    PHE   1          3H        PHE   1  -9.483   3.055   2.460
    3   3H    PHE   1          2H        PHE   1 -10.704   3.307   1.305
    4    HA   PHE   1           HA       PHE   1 -10.262   1.332   0.189
    5   1HB   PHE   1          2HB       PHE   1  -8.138   3.113   1.027
    6   2HB   PHE   1          1HB       PHE   1  -7.490   1.501   0.715
    7    HD1  PHE   1           HD2      PHE   1  -9.426   4.308  -0.751
    8    HD2  PHE   1           HD1      PHE   1  -7.418   0.587  -1.502
    9    HE1  PHE   1           HE2      PHE   1  -9.592   4.711  -3.192
   10    HE2  PHE   1           HE1      PHE   1  -7.583   0.989  -3.943
   11    HZ   PHE   1           HZ       PHE   1  -8.671   3.052  -4.788
   12    H    LYS   2           H        LYS   2 -10.896  -0.653   1.058
   13    HA   LYS   2           HA       LYS   2  -9.348  -1.789   3.333
   14   1HB   LYS   2          2HB       LYS   2 -11.979  -2.312   1.966
   15   2HB   LYS   2          1HB       LYS   2 -11.269  -3.547   3.006
   16   1HG   LYS   2          2HG       LYS   2 -12.520  -2.369   4.563
   17   2HG   LYS   2          1HG       LYS   2 -10.986  -1.506   4.676
   18   1HD   LYS   2          2HD       LYS   2 -11.830   0.141   3.001
   19   2HD   LYS   2          1HD       LYS   2 -13.387  -0.687   3.015
   20   1HE   LYS   2          2HE       LYS   2 -13.695   1.062   4.582
   21   2HE   LYS   2          1HE       LYS   2 -13.269  -0.318   5.614
   22   1HZ   LYS   2          1HZ       LYS   2 -11.071   1.211   4.455
   23   2HZ   LYS   2          3HZ       LYS   2 -11.938   1.960   5.706
   24   3HZ   LYS   2          2HZ       LYS   2 -11.187   0.460   5.975
   25    H    CYS   3           H        CYS   3  -7.590  -1.835   1.379
   26    HA   CYS   3           HA       CYS   3  -7.706  -3.767  -0.684
   27   1HB   CYS   3          2HB       CYS   3  -5.931  -1.956   0.184
   28   2HB   CYS   3          1HB       CYS   3  -5.180  -3.395   0.861
   29    H    ARG   4           H        ARG   4  -5.636  -5.541  -0.233
   30    HA   ARG   4           HA       ARG   4  -6.403  -7.163   2.141
   31   1HB   ARG   4          2HB       ARG   4  -6.814  -9.089   0.692
   32   2HB   ARG   4          1HB       ARG   4  -7.833  -7.741   0.188
   33   1HG   ARG   4          2HG       ARG   4  -6.982  -8.320  -1.870
   34   2HG   ARG   4          1HG       ARG   4  -5.710  -7.217  -1.349
   35   1HD   ARG   4          2HD       ARG   4  -4.443  -9.082  -1.974
   36   2HD   ARG   4          1HD       ARG   4  -4.708  -9.431  -0.254
   37    HE   ARG   4           HE       ARG   4  -5.772 -10.993  -2.391
   38   1HH1  ARG   4          2HH1      ARG   4  -8.395 -10.253  -2.014
   39   2HH1  ARG   4          1HH1      ARG   4  -8.929 -11.011  -0.550
   40   1HH2  ARG   4          1HH2      ARG   4  -5.721 -11.633   0.610
   41   2HH2  ARG   4          2HH2      ARG   4  -7.415 -11.792   0.935
   42    H    ARG   5           H        ARG   5  -4.156  -6.606  -0.548
   43    HA   ARG   5           HA       ARG   5  -1.976  -7.757   1.122
   44   1HB   ARG   5          2HB       ARG   5  -2.847  -9.574  -0.280
   45   2HB   ARG   5          1HB       ARG   5  -2.668  -8.569  -1.718
   46   1HG   ARG   5          2HG       ARG   5  -0.274  -8.535  -1.495
   47   2HG   ARG   5          1HG       ARG   5  -0.355  -9.286   0.099
   48   1HD   ARG   5          2HD       ARG   5  -1.770 -10.999  -1.681
   49   2HD   ARG   5          1HD       ARG   5  -0.229 -10.588  -2.460
   50    HE   ARG   5           HE       ARG   5   0.459 -11.070   0.187
   51   1HH1  ARG   5          2HH1      ARG   5  -1.973 -12.846  -1.257
   52   2HH1  ARG   5          1HH1      ARG   5  -1.167 -14.376  -1.160
   53   1HH2  ARG   5          1HH2      ARG   5   1.853 -13.018  -0.130
   54   2HH2  ARG   5          2HH2      ARG   5   0.999 -14.473  -0.523
   55    H    TRP   6           H        TRP   6  -1.009  -5.683   1.290
   56    HA   TRP   6           HA       TRP   6  -0.650  -3.886  -0.905
   57   1HB   TRP   6          2HB       TRP   6   0.724  -4.250   1.771
   58   2HB   TRP   6          1HB       TRP   6   0.907  -2.829   0.738
   59    HD1  TRP   6           HD1      TRP   6  -1.841  -4.762   2.613
   60    HE1  TRP   6           HE1      TRP   6  -3.761  -3.121   3.105
   61    HE3  TRP   6           HE3      TRP   6  -0.075  -0.678   0.227
   62    HZ2  TRP   6           HZ2      TRP   6  -4.451  -0.387   2.559
   63    HZ3  TRP   6           HZ3      TRP   6  -1.357   1.459   0.210
   64    HH2  TRP   6           HH2      TRP   6  -3.544   1.605   1.379
   65    H    GLN   7           H        GLN   7   1.642  -3.256  -1.641
   66    HA   GLN   7           HA       GLN   7   3.570  -5.520  -1.666
   67   1HB   GLN   7          2HB       GLN   7   2.381  -6.062  -3.605
   68   2HB   GLN   7          1HB       GLN   7   2.015  -4.379  -3.975
   69   1HG   GLN   7          2HG       GLN   7   4.023  -4.037  -5.036
   70   2HG   GLN   7          1HG       GLN   7   4.894  -5.136  -3.965
   71   1HE2  GLN   7          2HE2      GLN   7   4.885  -7.537  -6.542
   72   2HE2  GLN   7          1HE2      GLN   7   5.790  -6.650  -5.412
   73    H    TRP   8           H        TRP   8   5.016  -4.144  -0.490
   74    HA   TRP   8           HA       TRP   8   5.669  -1.502  -0.715
   75   1HB   TRP   8          2HB       TRP   8   7.217  -4.020  -0.314
   76   2HB   TRP   8          1HB       TRP   8   8.128  -2.521  -0.492
   77    HD1  TRP   8           HD1      TRP   8   6.261  -4.493   1.962
   78    HE1  TRP   8           HE1      TRP   8   5.888  -3.163   4.130
   79    HE3  TRP   8           HE3      TRP   8   7.577   0.139   0.369
   80    HZ2  TRP   8           HZ2      TRP   8   6.128  -0.472   5.073
   81    HZ3  TRP   8           HZ3      TRP   8   7.508   2.082   1.907
   82    HH2  TRP   8           HH2      TRP   8   6.781   1.781   4.260
   83    H    ARG   9           H        ARG   9   5.405  -0.625  -2.848
   84    HA   ARG   9           HA       ARG   9   6.830  -1.737  -5.144
   85   1HB   ARG   9          2HB       ARG   9   5.068   0.595  -4.487
   86   2HB   ARG   9          1HB       ARG   9   6.020   0.667  -5.970
   87   1HG   ARG   9          2HG       ARG   9   5.018  -1.333  -6.821
   88   2HG   ARG   9          1HG       ARG   9   4.281  -1.706  -5.262
   89   1HD   ARG   9          2HD       ARG   9   2.712  -0.674  -7.013
   90   2HD   ARG   9          1HD       ARG   9   2.759   0.164  -5.449
   91    HE   ARG   9           HE       ARG   9   4.356   1.044  -7.827
   92   1HH1  ARG   9          2HH1      ARG   9   5.572   2.842  -6.555
   93   2HH1  ARG   9          1HH1      ARG   9   4.493   4.009  -5.867
   94   1HH2  ARG   9          1HH2      ARG   9   1.681   2.012  -6.223
   95   2HH2  ARG   9          2HH2      ARG   9   2.290   3.539  -5.679
   96    H    MET  10           H        MET  10   8.007   0.365  -6.398
   97    HA   MET  10           HA       MET  10  10.412   0.807  -4.779
   98   1HB   MET  10          2HB       MET  10   9.887   2.083  -7.442
   99   2HB   MET  10          1HB       MET  10  11.377   1.387  -6.821
  100   1HG   MET  10          2HG       MET  10   9.678  -0.790  -6.848
  101   2HG   MET  10          1HG       MET  10   9.194   0.093  -8.296
  102   1HE   MET  10          2HE       MET  10  11.721  -1.149  -6.107
  103   2HE   MET  10          1HE       MET  10  12.535  -2.344  -7.113
  104   3HE   MET  10          3HE       MET  10  13.264  -0.753  -6.858
  105    H    LYS  11           H        LYS  11  11.231   2.887  -4.228
  106    HA   LYS  11           HA       LYS  11   9.459   5.251  -4.561
  107   1HB   LYS  11          2HB       LYS  11   9.208   3.662  -2.365
  108   2HB   LYS  11          1HB       LYS  11  10.457   4.780  -1.814
  109   1HG   LYS  11          2HG       LYS  11   8.143   5.578  -1.300
  110   2HG   LYS  11          1HG       LYS  11   9.041   6.692  -2.331
  111   1HD   LYS  11          2HD       LYS  11   7.578   4.655  -3.850
  112   2HD   LYS  11          1HD       LYS  11   6.524   5.686  -2.882
  113   1HE   LYS  11          2HE       LYS  11   6.884   7.477  -4.233
  114   2HE   LYS  11          1HE       LYS  11   8.636   7.192  -4.266
  115   1HZ   LYS  11          2HZ       LYS  11   7.931   5.117  -5.642
  116   2HZ   LYS  11          1HZ       LYS  11   6.537   6.033  -5.967
  117   3HZ   LYS  11          3HZ       LYS  11   8.063   6.630  -6.404
  118    H    LYS  12           H        LYS  12  10.904   6.673  -2.502
  119    HA   LYS  12           HA       LYS  12  12.982   7.883  -3.960
  120   1HB   LYS  12          2HB       LYS  12  12.948   7.575  -0.954
  121   2HB   LYS  12          1HB       LYS  12  13.538   8.944  -1.894
  122   1HG   LYS  12          2HG       LYS  12  11.503   9.886  -1.742
  123   2HG   LYS  12          1HG       LYS  12  10.843   8.540  -2.673
  124   1HD   LYS  12          2HD       LYS  12   9.852   7.658  -0.850
  125   2HD   LYS  12          1HD       LYS  12  11.337   7.780   0.093
  126   1HE   LYS  12          2HE       LYS  12  10.554  10.426  -0.109
  127   2HE   LYS  12          1HE       LYS  12   9.009   9.570   0.066
  128   1HZ   LYS  12          1HZ       LYS  12  10.185   8.240   1.857
  129   2HZ   LYS  12          3HZ       LYS  12  11.382   9.441   1.831
  130   3HZ   LYS  12          2HZ       LYS  12   9.785   9.844   2.246
  131    H    LEU  13           H        LEU  13  15.262   7.890  -2.434
  132    HA   LEU  13           HA       LEU  13  16.760   5.709  -3.420
  133   1HB   LEU  13          2HB       LEU  13  18.511   6.643  -1.951
  134   2HB   LEU  13          1HB       LEU  13  17.625   7.929  -2.771
  135    HG   LEU  13           HG       LEU  13  16.198   7.366  -0.390
  136   1HD1  LEU  13          1HD1      LEU  13  18.836   6.559  -0.026
  137   2HD1  LEU  13          3HD1      LEU  13  18.816   8.202   0.612
  138   3HD1  LEU  13          2HD1      LEU  13  17.705   6.993   1.255
  139   1HD2  LEU  13          1HD2      LEU  13  16.595   9.540  -1.705
  140   2HD2  LEU  13          3HD2      LEU  13  16.594   9.672   0.054
  141   3HD2  LEU  13          2HD2      LEU  13  18.121   9.658  -0.828
  142    H    GLY  14           H        GLY  14  16.995   3.643  -2.673
  143   1HA   GLY  14          2HA       GLY  14  16.609   1.755  -1.314
  144   2HA   GLY  14          1HA       GLY  14  17.379   2.757  -0.086
  145    H    ALA  15           H        ALA  15  14.206   2.958  -1.704
  146    HA   ALA  15           HA       ALA  15  12.854   2.465   0.885
  147   1HB   ALA  15          3HB       ALA  15  13.228   5.086  -0.457
  148   2HB   ALA  15          2HB       ALA  15  11.604   4.765   0.152
  149   3HB   ALA  15          1HB       ALA  15  12.983   4.726   1.251
  150    HA   PRO  16           HA       PRO  16  10.119   0.917  -2.295
  151   1HB   PRO  16          2HB       PRO  16   8.766  -0.812  -0.652
  152   2HB   PRO  16          1HB       PRO  16  10.383  -1.152  -1.300
  153   1HG   PRO  16          2HG       PRO  16   9.579  -0.427   1.424
  154   2HG   PRO  16          1HG       PRO  16  11.029  -1.264   0.858
  155   1HD   PRO  16          2HD       PRO  16  10.774   1.476   1.618
  156   2HD   PRO  16          1HD       PRO  16  12.215   0.644   0.996
  157    H    SER  17           H        SER  17   7.510   0.441  -2.035
  158    HA   SER  17           HA       SER  17   6.247   2.544  -0.350
  159   1HB   SER  17          2HB       SER  17   6.996   3.116  -2.888
  160   2HB   SER  17          1HB       SER  17   5.411   2.415  -3.203
  161    HG   SER  17           HG       SER  17   5.992   4.508  -1.368
  162    H    ILE  18           H        ILE  18   5.170   0.812   0.775
  163    HA   ILE  18           HA       ILE  18   3.818  -1.353  -0.520
  164    HB   ILE  18           HB       ILE  18   4.462  -0.528   2.055
  165   1HG1  ILE  18          2HG1      ILE  18   2.600  -2.773   1.234
  166   2HG1  ILE  18          1HG1      ILE  18   4.359  -2.840   1.172
  167   1HG2  ILE  18          1HG2      ILE  18   1.455  -0.506   1.712
  168   2HG2  ILE  18          3HG2      ILE  18   2.249  -0.749   3.267
  169   3HG2  ILE  18          2HG2      ILE  18   2.466   0.767   2.395
  170   1HD1  ILE  18          3HD1      ILE  18   4.083  -2.074   3.725
  171   2HD1  ILE  18          2HD1      ILE  18   2.538  -2.903   3.533
  172   3HD1  ILE  18          1HD1      ILE  18   4.047  -3.774   3.255
  173    H    THR  19           H        THR  19   2.166  -1.079  -1.941
  174    HA   THR  19           HA       THR  19   0.136   1.058  -1.370
  175    HB   THR  19           HB       THR  19   0.962  -0.120  -4.041
  176    HG1  THR  19           HG1      THR  19   1.858   2.235  -3.998
  177   1HG2  THR  19          3HG2      THR  19  -0.842   2.095  -3.132
  178   2HG2  THR  19          2HG2      THR  19  -0.020   2.236  -4.686
  179   3HG2  THR  19          1HG2      THR  19  -1.109   0.882  -4.383
  180    H    CYS  20           H        CYS  20  -2.024   0.442  -2.560
  181    HA   CYS  20           HA       CYS  20  -2.849  -2.186  -1.573
  182   1HB   CYS  20          2HB       CYS  20  -4.315  -0.266  -1.386
  183   2HB   CYS  20          1HB       CYS  20  -4.195   0.053  -3.117
  184    H    VAL  21           H        VAL  21  -2.647  -4.038  -2.785
  185    HA   VAL  21           HA       VAL  21  -2.479  -3.733  -5.748
  186    HB   VAL  21           HB       VAL  21  -0.847  -5.382  -5.739
  187   1HG1  VAL  21          2HG1      VAL  21  -0.807  -4.339  -2.895
  188   2HG1  VAL  21          1HG1      VAL  21   0.475  -5.330  -3.581
  189   3HG1  VAL  21          3HG1      VAL  21   0.123  -3.747  -4.271
  190   1HG2  VAL  21          2HG2      VAL  21  -2.555  -6.584  -3.611
  191   2HG2  VAL  21          1HG2      VAL  21  -1.842  -7.334  -5.040
  192   3HG2  VAL  21          3HG2      VAL  21  -0.847  -7.024  -3.618
  193    H    ARG  22           H        ARG  22  -4.838  -3.994  -3.956
  194    HA   ARG  22           HA       ARG  22  -6.331  -5.924  -5.580
  195   1HB   ARG  22          2HB       ARG  22  -5.031  -6.759  -3.236
  196   2HB   ARG  22          1HB       ARG  22  -6.722  -6.565  -2.773
  197   1HG   ARG  22          2HG       ARG  22  -6.295  -8.838  -3.610
  198   2HG   ARG  22          1HG       ARG  22  -7.409  -7.979  -4.672
  199   1HD   ARG  22          2HD       ARG  22  -5.634  -7.517  -6.265
  200   2HD   ARG  22          1HD       ARG  22  -4.415  -8.181  -5.158
  201    HE   ARG  22           HE       ARG  22  -6.670  -9.908  -6.082
  202   1HH1  ARG  22          1HH2      ARG  22  -3.924 -10.290  -4.434
  203   2HH1  ARG  22          2HH2      ARG  22  -3.117 -11.341  -5.550
  204   1HH2  ARG  22          2HH1      ARG  22  -5.375 -10.781  -8.121
  205   2HH2  ARG  22          1HH1      ARG  22  -3.939 -11.618  -7.637
  206    H    ARG  23           H        ARG  23  -7.604  -3.973  -6.017
  207    HA   ARG  23           HA       ARG  23  -8.830  -2.506  -3.803
  208   1HB   ARG  23          2HB       ARG  23  -9.224  -2.561  -6.813
  209   2HB   ARG  23          1HB       ARG  23 -10.003  -1.398  -5.743
  210   1HG   ARG  23          2HG       ARG  23  -7.781  -0.640  -4.957
  211   2HG   ARG  23          1HG       ARG  23  -7.013  -1.781  -6.062
  212   1HD   ARG  23          2HD       ARG  23  -8.704  -0.463  -7.771
  213   2HD   ARG  23          1HD       ARG  23  -8.258   0.835  -6.645
  214    HE   ARG  23           HE       ARG  23  -5.995  -0.819  -7.493
  215   1HH1  ARG  23          1HH2      ARG  23  -5.861   2.096  -6.725
  216   2HH1  ARG  23          2HH2      ARG  23  -5.594   2.852  -8.260
  217   1HH2  ARG  23          2HH1      ARG  23  -6.564   0.075 -10.095
  218   2HH2  ARG  23          1HH1      ARG  23  -5.993   1.708 -10.168
  219    H    ALA  24           H        ALA  24  -9.568  -4.962  -3.164
  220    HA   ALA  24           HA       ALA  24 -11.884  -6.055  -4.478
  221   1HB   ALA  24          1HB       ALA  24 -10.103  -6.757  -2.486
  222   2HB   ALA  24          3HB       ALA  24 -11.595  -6.495  -1.581
  223   3HB   ALA  24          2HB       ALA  24 -11.558  -7.665  -2.899
  224    H    PHE  25           HN       PHE  25 -13.404  -4.311  -4.767
  225    HA   PHE  25           HA       PHE  25 -14.303  -2.366  -3.051
  226   1HB   PHE  25          2HB       PHE  25 -15.525  -4.135  -5.106
  227   2HB   PHE  25          1HB       PHE  25 -16.645  -3.213  -4.102
  228    HD1  PHE  25           HD2      PHE  25 -16.007  -0.667  -3.752
  229    HD2  PHE  25           HD1      PHE  25 -14.613  -3.113  -6.997
  230    HE1  PHE  25           HE2      PHE  25 -15.525   1.371  -5.082
  231    HE2  PHE  25           HE1      PHE  25 -14.131  -1.075  -8.326
  232    HZ   PHE  25           HZ       PHE  25 -14.588   1.166  -7.368
   
  No H/Q in entry =         232
  Start of MODEL   16
    1   1H    PHE   1          2H        PHE   1  -9.164   3.322   0.707
    2   2H    PHE   1          1H        PHE   1 -10.514   4.078   0.008
    3   3H    PHE   1          3H        PHE   1 -10.569   3.579   1.628
    4    HA   PHE   1           HA       PHE   1 -11.790   1.961   0.425
    5   1HB   PHE   1          2HB       PHE   1 -10.583   0.928  -1.586
    6   2HB   PHE   1          1HB       PHE   1 -11.092   2.605  -1.777
    7    HD1  PHE   1           HD1      PHE   1  -8.207   0.376  -1.153
    8    HD2  PHE   1           HD2      PHE   1  -9.486   4.409  -1.892
    9    HE1  PHE   1           HE1      PHE   1  -5.856   1.045  -1.568
   10    HE2  PHE   1           HE2      PHE   1  -7.135   5.078  -2.308
   11    HZ   PHE   1           HZ       PHE   1  -5.320   3.396  -2.146
   12    H    LYS   2           H        LYS   2 -11.206  -0.487   0.258
   13    HA   LYS   2           HA       LYS   2  -9.109  -1.080   2.313
   14   1HB   LYS   2          2HB       LYS   2 -11.861  -1.844   1.854
   15   2HB   LYS   2          1HB       LYS   2 -10.838  -3.281   1.899
   16   1HG   LYS   2          2HG       LYS   2 -10.154  -2.896   4.086
   17   2HG   LYS   2          1HG       LYS   2 -10.442  -1.160   3.979
   18   1HD   LYS   2          2HD       LYS   2 -12.481  -1.440   4.882
   19   2HD   LYS   2          1HD       LYS   2 -12.932  -2.487   3.535
   20   1HE   LYS   2          2HE       LYS   2 -11.232  -3.627   5.737
   21   2HE   LYS   2          1HE       LYS   2 -12.981  -3.453   5.992
   22   1HZ   LYS   2          1HZ       LYS   2 -12.964  -4.394   3.522
   23   2HZ   LYS   2          3HZ       LYS   2 -11.545  -5.131   4.087
   24   3HZ   LYS   2          2HZ       LYS   2 -13.020  -5.411   4.881
   25    H    CYS   3           H        CYS   3  -7.256  -1.811   1.327
   26    HA   CYS   3           HA       CYS   3  -7.350  -3.163  -1.291
   27   1HB   CYS   3          2HB       CYS   3  -5.628  -1.461  -0.125
   28   2HB   CYS   3          1HB       CYS   3  -4.880  -2.981   0.359
   29    H    ARG   4           H        ARG   4  -5.176  -4.905  -0.900
   30    HA   ARG   4           HA       ARG   4  -5.965  -6.833   1.202
   31   1HB   ARG   4          2HB       ARG   4  -7.495  -7.514  -0.439
   32   2HB   ARG   4          1HB       ARG   4  -6.393  -7.128  -1.758
   33   1HG   ARG   4          2HG       ARG   4  -5.661  -9.282   0.207
   34   2HG   ARG   4          1HG       ARG   4  -6.784  -9.640  -1.108
   35   1HD   ARG   4          2HD       ARG   4  -4.873  -8.371  -2.531
   36   2HD   ARG   4          1HD       ARG   4  -3.867  -9.039  -1.230
   37    HE   ARG   4           HE       ARG   4  -4.972 -10.602  -3.315
   38   1HH1  ARG   4          1HH2      ARG   4  -6.991 -11.729  -1.750
   39   2HH1  ARG   4          2HH2      ARG   4  -6.215 -12.893  -0.729
   40   1HH2  ARG   4          2HH1      ARG   4  -3.041 -11.574  -1.188
   41   2HH2  ARG   4          1HH1      ARG   4  -3.979 -12.805  -0.411
   42    H    ARG   5           H        ARG   5  -3.800  -6.001  -1.491
   43    HA   ARG   5           HA       ARG   5  -1.649  -7.541  -0.086
   44   1HB   ARG   5          2HB       ARG   5  -2.918  -8.031  -2.625
   45   2HB   ARG   5          1HB       ARG   5  -1.210  -7.670  -2.880
   46   1HG   ARG   5          2HG       ARG   5  -2.023  -9.573  -0.700
   47   2HG   ARG   5          1HG       ARG   5  -1.931 -10.138  -2.368
   48   1HD   ARG   5          2HD       ARG   5   0.366  -9.943  -2.447
   49   2HD   ARG   5          1HD       ARG   5   0.385  -8.545  -1.354
   50    HE   ARG   5           HE       ARG   5   0.756 -10.127   0.354
   51   1HH1  ARG   5          1HH2      ARG   5   0.155 -12.080  -2.210
   52   2HH1  ARG   5          2HH2      ARG   5  -0.762 -13.277  -1.359
   53   1HH2  ARG   5          2HH1      ARG   5  -1.068 -11.374   1.523
   54   2HH2  ARG   5          1HH1      ARG   5  -1.455 -12.877   0.755
   55    H    TRP   6           H        TRP   6  -1.049  -5.283   0.654
   56    HA   TRP   6           HA       TRP   6  -0.255  -3.252  -1.194
   57   1HB   TRP   6          2HB       TRP   6   0.503  -3.917   1.666
   58   2HB   TRP   6          1HB       TRP   6   0.894  -2.391   0.872
   59    HD1  TRP   6           HD1      TRP   6  -2.141  -4.481   1.880
   60    HE1  TRP   6           HE1      TRP   6  -4.154  -2.893   2.131
   61    HE3  TRP   6           HE3      TRP   6   0.004  -0.193   0.327
   62    HZ2  TRP   6           HZ2      TRP   6  -4.761  -0.107   1.729
   63    HZ3  TRP   6           HZ3      TRP   6  -1.279   1.944   0.259
   64    HH2  TRP   6           HH2      TRP   6  -3.661   1.985   0.959
   65    H    GLN   7           H        GLN   7   1.181  -4.127  -2.792
   66    HA   GLN   7           HA       GLN   7   3.515  -5.717  -1.977
   67   1HB   GLN   7          2HB       GLN   7   2.527  -6.325  -4.029
   68   2HB   GLN   7          1HB       GLN   7   2.330  -4.649  -4.535
   69   1HG   GLN   7          2HG       GLN   7   4.527  -4.450  -5.219
   70   2HG   GLN   7          1HG       GLN   7   5.109  -5.628  -4.041
   71   1HE2  GLN   7          2HE2      GLN   7   5.015  -7.081  -7.572
   72   2HE2  GLN   7          1HE2      GLN   7   5.619  -5.606  -6.989
   73    H    TRP   8           H        TRP   8   5.026  -4.468  -0.852
   74    HA   TRP   8           HA       TRP   8   5.632  -1.787  -0.956
   75   1HB   TRP   8          2HB       TRP   8   7.225  -4.288  -0.599
   76   2HB   TRP   8          1HB       TRP   8   8.075  -2.741  -0.637
   77    HD1  TRP   8           HD1      TRP   8   6.090  -4.913   1.565
   78    HE1  TRP   8           HE1      TRP   8   5.556  -3.731   3.783
   79    HE3  TRP   8           HE3      TRP   8   7.431  -0.194   0.347
   80    HZ2  TRP   8           HZ2      TRP   8   5.687  -1.096   4.901
   81    HZ3  TRP   8           HZ3      TRP   8   7.225   1.659   1.986
   82    HH2  TRP   8           HH2      TRP   8   6.351   1.212   4.264
   83    H    ARG   9           H        ARG   9   5.668  -0.653  -2.900
   84    HA   ARG   9           HA       ARG   9   6.907  -1.740  -5.314
   85   1HB   ARG   9          2HB       ARG   9   5.750   0.933  -4.480
   86   2HB   ARG   9          1HB       ARG   9   6.357   0.621  -6.106
   87   1HG   ARG   9          2HG       ARG   9   4.779  -1.498  -5.943
   88   2HG   ARG   9          1HG       ARG   9   3.950  -0.517  -4.733
   89   1HD   ARG   9          2HD       ARG   9   3.066   0.853  -6.317
   90   2HD   ARG   9          1HD       ARG   9   4.619   0.994  -7.166
   91    HE   ARG   9           HE       ARG   9   3.359  -1.637  -7.432
   92   1HH1  ARG   9          1HH2      ARG   9   5.128   0.218  -9.295
   93   2HH1  ARG   9          2HH2      ARG   9   4.029   0.395 -10.623
   94   1HH2  ARG   9          2HH1      ARG   9   1.300  -0.835  -8.872
   95   2HH2  ARG   9          1HH1      ARG   9   1.862  -0.202 -10.383
   96    H    MET  10           H        MET  10   8.513  -0.035  -6.439
   97    HA   MET  10           HA       MET  10  10.882   0.068  -4.743
   98   1HB   MET  10          2HB       MET  10  10.566   1.429  -7.409
   99   2HB   MET  10          1HB       MET  10  11.975   0.600  -6.756
  100   1HG   MET  10          2HG       MET  10  10.390  -1.508  -6.804
  101   2HG   MET  10          1HG       MET  10   9.512  -0.566  -8.009
  102   1HE   MET  10          3HE       MET  10  10.738   0.804  -9.752
  103   2HE   MET  10          2HE       MET  10  11.776  -0.042 -10.897
  104   3HE   MET  10          1HE       MET  10  10.165  -0.666 -10.552
  105    H    LYS  11           H        LYS  11  12.039   2.043  -4.231
  106    HA   LYS  11           HA       LYS  11  10.665   4.632  -4.564
  107   1HB   LYS  11          2HB       LYS  11  10.081   2.986  -2.386
  108   2HB   LYS  11          1HB       LYS  11  11.257   4.134  -1.744
  109   1HG   LYS  11          2HG       LYS  11   9.378   5.531  -3.421
  110   2HG   LYS  11          1HG       LYS  11   8.500   4.582  -2.222
  111   1HD   LYS  11          2HD       LYS  11   9.409   5.739  -0.435
  112   2HD   LYS  11          1HD       LYS  11  10.884   6.147  -1.315
  113   1HE   LYS  11          2HE       LYS  11   9.962   8.041  -2.232
  114   2HE   LYS  11          1HE       LYS  11   8.359   7.297  -2.400
  115   1HZ   LYS  11          2HZ       LYS  11   9.361   7.613   0.314
  116   2HZ   LYS  11          1HZ       LYS  11   8.936   9.051  -0.487
  117   3HZ   LYS  11          3HZ       LYS  11   7.787   7.819  -0.293
  118    H    LYS  12           H        LYS  12  12.038   6.400  -3.501
  119    HA   LYS  12           HA       LYS  12  14.816   6.066  -4.221
  120   1HB   LYS  12          2HB       LYS  12  13.684   8.214  -2.427
  121   2HB   LYS  12          1HB       LYS  12  14.971   8.354  -3.622
  122   1HG   LYS  12          2HG       LYS  12  12.891   7.498  -5.182
  123   2HG   LYS  12          1HG       LYS  12  12.046   8.487  -3.990
  124   1HD   LYS  12          2HD       LYS  12  14.329   9.330  -5.792
  125   2HD   LYS  12          1HD       LYS  12  12.679   9.955  -5.787
  126   1HE   LYS  12          2HE       LYS  12  13.016  10.892  -3.533
  127   2HE   LYS  12          1HE       LYS  12  14.667  10.241  -3.505
  128   1HZ   LYS  12          2HZ       LYS  12  13.871  11.793  -5.848
  129   2HZ   LYS  12          1HZ       LYS  12  14.144  12.659  -4.412
  130   3HZ   LYS  12          3HZ       LYS  12  15.379  11.701  -5.072
  131    H    LEU  13           H        LEU  13  16.241   7.251  -2.198
  132    HA   LEU  13           HA       LEU  13  16.988   5.171  -0.491
  133   1HB   LEU  13          2HB       LEU  13  18.181   6.920   0.712
  134   2HB   LEU  13          1HB       LEU  13  18.199   7.308  -1.009
  135    HG   LEU  13           HG       LEU  13  15.824   8.374   0.288
  136   1HD1  LEU  13          2HD1      LEU  13  18.507   8.869   1.522
  137   2HD1  LEU  13          1HD1      LEU  13  17.387  10.224   1.386
  138   3HD1  LEU  13          3HD1      LEU  13  16.921   8.781   2.288
  139   1HD2  LEU  13          2HD2      LEU  13  16.803   9.021  -1.936
  140   2HD2  LEU  13          1HD2      LEU  13  16.536  10.396  -0.863
  141   3HD2  LEU  13          3HD2      LEU  13  18.162   9.747  -1.077
  142    H    GLY  14           H        GLY  14  16.564   4.806   1.791
  143   1HA   GLY  14          2HA       GLY  14  15.329   5.481   3.835
  144   2HA   GLY  14          1HA       GLY  14  14.032   6.042   2.783
  145    H    ALA  15           H        ALA  15  13.085   4.279   1.346
  146    HA   ALA  15           HA       ALA  15  13.344   1.501   2.092
  147   1HB   ALA  15          3HB       ALA  15  12.061   3.119   3.955
  148   2HB   ALA  15          2HB       ALA  15  10.727   2.373   3.076
  149   3HB   ALA  15          1HB       ALA  15  11.937   1.362   3.866
  150    HA   PRO  16           HA       PRO  16  10.664   0.860  -1.333
  151   1HB   PRO  16          2HB       PRO  16   8.892  -1.076  -0.488
  152   2HB   PRO  16          1HB       PRO  16  10.604  -1.401  -0.847
  153   1HG   PRO  16          2HG       PRO  16   9.255  -1.019   1.775
  154   2HG   PRO  16          1HG       PRO  16  10.556  -2.130   1.325
  155   1HD   PRO  16          2HD       PRO  16  10.955   0.195   2.696
  156   2HD   PRO  16          1HD       PRO  16  12.184  -0.565   1.664
  157    H    SER  17           H        SER  17   8.111   0.601  -1.881
  158    HA   SER  17           HA       SER  17   6.573   2.519  -0.163
  159   1HB   SER  17          2HB       SER  17   7.692   2.965  -2.713
  160   2HB   SER  17          1HB       SER  17   5.970   2.725  -2.995
  161    HG   SER  17           HG       SER  17   6.654   4.925  -2.465
  162    H    ILE  18           H        ILE  18   5.198   0.871   0.673
  163    HA   ILE  18           HA       ILE  18   3.981  -1.142  -1.050
  164    HB   ILE  18           HB       ILE  18   4.530  -0.840   1.626
  165   1HG1  ILE  18          2HG1      ILE  18   2.480  -2.705   0.402
  166   2HG1  ILE  18          1HG1      ILE  18   4.223  -2.946   0.358
  167   1HG2  ILE  18          2HG2      ILE  18   2.562   0.645   1.927
  168   2HG2  ILE  18          1HG2      ILE  18   1.522  -0.651   1.336
  169   3HG2  ILE  18          3HG2      ILE  18   2.417  -0.856   2.841
  170   1HD1  ILE  18          2HD1      ILE  18   3.806  -2.514   3.030
  171   2HD1  ILE  18          1HD1      ILE  18   2.324  -3.355   2.576
  172   3HD1  ILE  18          3HD1      ILE  18   3.891  -4.109   2.283
  173    H    THR  19           H        THR  19   2.389  -0.643  -2.461
  174    HA   THR  19           HA       THR  19   0.518   1.598  -1.795
  175    HB   THR  19           HB       THR  19   1.900   1.742  -3.864
  176    HG1  THR  19           HG1      THR  19  -0.008   2.758  -4.069
  177   1HG2  THR  19          3HG2      THR  19   0.396  -0.782  -4.603
  178   2HG2  THR  19          2HG2      THR  19   1.404   0.151  -5.709
  179   3HG2  THR  19          1HG2      THR  19   2.130  -0.650  -4.315
  180    H    CYS  20           H        CYS  20  -1.485   0.787  -3.666
  181    HA   CYS  20           HA       CYS  20  -2.610  -1.575  -2.209
  182   1HB   CYS  20          2HB       CYS  20  -3.817   0.567  -2.061
  183   2HB   CYS  20          1HB       CYS  20  -3.882   0.666  -3.820
  184    H    VAL  21           H        VAL  21  -2.707  -3.475  -3.376
  185    HA   VAL  21           HA       VAL  21  -2.727  -3.254  -6.359
  186    HB   VAL  21           HB       VAL  21  -1.236  -5.071  -6.447
  187   1HG1  VAL  21          1HG1      VAL  21  -0.662  -3.678  -3.816
  188   2HG1  VAL  21          3HG1      VAL  21   0.481  -4.718  -4.664
  189   3HG1  VAL  21          2HG1      VAL  21  -0.060  -3.213  -5.408
  190   1HG2  VAL  21          1HG2      VAL  21  -2.391  -5.790  -3.754
  191   2HG2  VAL  21          3HG2      VAL  21  -2.369  -6.752  -5.232
  192   3HG2  VAL  21          2HG2      VAL  21  -0.881  -6.507  -4.317
  193    H    ARG  22           H        ARG  22  -4.957  -3.364  -4.427
  194    HA   ARG  22           HA       ARG  22  -6.575  -5.368  -5.826
  195   1HB   ARG  22          2HB       ARG  22  -5.288  -6.626  -4.063
  196   2HB   ARG  22          1HB       ARG  22  -6.085  -5.632  -2.843
  197   1HG   ARG  22          2HG       ARG  22  -7.870  -6.998  -2.895
  198   2HG   ARG  22          1HG       ARG  22  -8.098  -6.629  -4.605
  199   1HD   ARG  22          2HD       ARG  22  -6.298  -8.379  -5.096
  200   2HD   ARG  22          1HD       ARG  22  -6.457  -8.873  -3.398
  201    HE   ARG  22           HE       ARG  22  -8.883  -9.277  -3.858
  202   1HH1  ARG  22          1HH2      ARG  22  -9.099  -7.820  -6.453
  203   2HH1  ARG  22          2HH2      ARG  22  -9.054  -9.110  -7.607
  204   1HH2  ARG  22          2HH1      ARG  22  -7.788 -11.429  -5.361
  205   2HH2  ARG  22          1HH1      ARG  22  -8.312 -11.154  -6.989
  206    H    ARG  23           H        ARG  23  -7.965  -3.567  -6.305
  207    HA   ARG  23           HA       ARG  23  -8.956  -1.838  -4.164
  208   1HB   ARG  23          2HB       ARG  23  -9.697  -2.274  -7.075
  209   2HB   ARG  23          1HB       ARG  23 -10.362  -0.985  -6.073
  210   1HG   ARG  23          2HG       ARG  23  -8.082  -0.125  -5.665
  211   2HG   ARG  23          1HG       ARG  23  -7.423  -1.403  -6.685
  212   1HD   ARG  23          2HD       ARG  23  -7.593   0.513  -8.114
  213   2HD   ARG  23          1HD       ARG  23  -8.997  -0.489  -8.530
  214    HE   ARG  23           HE       ARG  23 -10.016   1.032  -6.519
  215   1HH1  ARG  23          1HH2      ARG  23  -8.319   3.268  -6.612
  216   2HH1  ARG  23          2HH2      ARG  23  -8.865   4.219  -7.952
  217   1HH2  ARG  23          2HH1      ARG  23 -10.644   1.624  -9.410
  218   2HH2  ARG  23          1HH1      ARG  23 -10.182   3.289  -9.536
  219    H    ALA  24           H        ALA  24  -9.588  -4.158  -3.106
  220    HA   ALA  24           HA       ALA  24 -12.101  -5.312  -4.033
  221   1HB   ALA  24          2HB       ALA  24  -9.993  -5.812  -2.132
  222   2HB   ALA  24          1HB       ALA  24 -11.552  -5.951  -1.319
  223   3HB   ALA  24          3HB       ALA  24 -11.210  -6.936  -2.741
  224    H    PHE  25           HN       PHE  25 -13.779  -3.777  -3.977
  225    HA   PHE  25           HA       PHE  25 -14.292  -1.670  -2.293
  226   1HB   PHE  25          2HB       PHE  25 -16.662  -2.113  -2.780
  227   2HB   PHE  25          1HB       PHE  25 -15.678  -2.467  -4.201
  228    HD1  PHE  25           HD1      PHE  25 -17.187  -4.088  -1.184
  229    HD2  PHE  25           HD2      PHE  25 -15.765  -4.590  -5.207
  230    HE1  PHE  25           HE1      PHE  25 -18.033  -6.420  -1.193
  231    HE2  PHE  25           HE2      PHE  25 -16.610  -6.921  -5.215
  232    HZ   PHE  25           HZ       PHE  25 -17.744  -7.836  -3.208
   
  No H/Q in entry =         232
  Start of MODEL   17
    1   1H    PHE   1          3H        PHE   1  -8.760   3.688   3.609
    2   2H    PHE   1          2H        PHE   1  -9.809   4.398   2.476
    3   3H    PHE   1          1H        PHE   1 -10.415   3.322   3.643
    4    HA   PHE   1           HA       PHE   1 -10.262   2.192   1.518
    5   1HB   PHE   1          2HB       PHE   1  -8.198   3.943   1.183
    6   2HB   PHE   1          1HB       PHE   1  -7.309   2.455   1.512
    7    HD1  PHE   1           HD1      PHE   1  -8.043   0.333   0.194
    8    HD2  PHE   1           HD2      PHE   1  -9.057   4.343  -0.966
    9    HE1  PHE   1           HE1      PHE   1  -8.490  -0.448  -2.117
   10    HE2  PHE   1           HE2      PHE   1  -9.504   3.561  -3.276
   11    HZ   PHE   1           HZ       PHE   1  -9.220   1.166  -3.853
   12    H    LYS   2           H        LYS   2  -9.469  -0.056   1.392
   13    HA   LYS   2           HA       LYS   2  -7.861  -1.062   3.666
   14   1HB   LYS   2          2HB       LYS   2 -10.812  -1.504   3.232
   15   2HB   LYS   2          1HB       LYS   2  -9.846  -2.696   4.103
   16   1HG   LYS   2          2HG       LYS   2  -9.073  -0.884   5.639
   17   2HG   LYS   2          1HG       LYS   2 -10.158   0.235   4.814
   18   1HD   LYS   2          2HD       LYS   2 -10.993  -2.303   6.251
   19   2HD   LYS   2          1HD       LYS   2 -11.224  -0.658   6.846
   20   1HE   LYS   2          2HE       LYS   2 -12.680  -0.137   4.936
   21   2HE   LYS   2          1HE       LYS   2 -12.415  -1.764   4.275
   22   1HZ   LYS   2          3HZ       LYS   2 -13.210  -1.591   7.074
   23   2HZ   LYS   2          2HZ       LYS   2 -14.408  -1.218   5.928
   24   3HZ   LYS   2          1HZ       LYS   2 -13.640  -2.733   5.896
   25    H    CYS   3           H        CYS   3  -6.499  -1.638   1.761
   26    HA   CYS   3           HA       CYS   3  -7.498  -3.512  -0.242
   27   1HB   CYS   3          2HB       CYS   3  -5.468  -1.758  -0.111
   28   2HB   CYS   3          1HB       CYS   3  -4.599  -3.213   0.363
   29    H    ARG   4           H        ARG   4  -5.418  -5.346  -0.357
   30    HA   ARG   4           HA       ARG   4  -5.503  -6.831   2.225
   31   1HB   ARG   4          2HB       ARG   4  -6.167  -8.848   0.867
   32   2HB   ARG   4          1HB       ARG   4  -7.394  -7.582   0.924
   33   1HG   ARG   4          2HG       ARG   4  -7.320  -8.130  -1.357
   34   2HG   ARG   4          1HG       ARG   4  -6.270  -6.719  -1.262
   35   1HD   ARG   4          2HD       ARG   4  -4.620  -7.970  -2.181
   36   2HD   ARG   4          1HD       ARG   4  -4.624  -8.967  -0.712
   37    HE   ARG   4           HE       ARG   4  -6.844  -9.762  -2.295
   38   1HH1  ARG   4          1HH2      ARG   4  -3.750 -10.655  -1.433
   39   2HH1  ARG   4          2HH2      ARG   4  -3.462 -11.679  -2.800
   40   1HH2  ARG   4          2HH1      ARG   4  -6.336 -10.697  -4.474
   41   2HH2  ARG   4          1HH1      ARG   4  -4.926 -11.702  -4.523
   42    H    ARG   5           H        ARG   5  -4.010  -6.377  -0.956
   43    HA   ARG   5           HA       ARG   5  -1.668  -7.990   0.004
   44   1HB   ARG   5          2HB       ARG   5  -2.863  -9.041  -1.834
   45   2HB   ARG   5          1HB       ARG   5  -2.817  -7.543  -2.764
   46   1HG   ARG   5          2HG       ARG   5  -0.953  -8.483  -3.689
   47   2HG   ARG   5          1HG       ARG   5  -0.170  -7.868  -2.233
   48   1HD   ARG   5          2HD       ARG   5  -1.368 -10.370  -1.554
   49   2HD   ARG   5          1HD       ARG   5  -0.444 -10.599  -3.052
   50    HE   ARG   5           HE       ARG   5   0.682  -9.514  -0.507
   51   1HH1  ARG   5          1HH2      ARG   5   1.024 -11.761  -2.964
   52   2HH1  ARG   5          2HH2      ARG   5   2.720 -11.508  -3.207
   53   1HH2  ARG   5          2HH1      ARG   5   2.872  -8.734  -1.132
   54   2HH2  ARG   5          1HH1      ARG   5   3.766  -9.795  -2.169
   55    H    TRP   6           H        TRP   6  -1.035  -5.756   0.945
   56    HA   TRP   6           HA       TRP   6  -0.292  -3.642  -0.868
   57   1HB   TRP   6          2HB       TRP   6   0.379  -4.340   1.998
   58   2HB   TRP   6          1HB       TRP   6   0.839  -2.818   1.234
   59    HD1  TRP   6           HD1      TRP   6  -2.140  -4.723   2.501
   60    HE1  TRP   6           HE1      TRP   6  -4.185  -3.157   2.516
   61    HE3  TRP   6           HE3      TRP   6  -0.164  -0.755   0.080
   62    HZ2  TRP   6           HZ2      TRP   6  -4.885  -0.516   1.614
   63    HZ3  TRP   6           HZ3      TRP   6  -1.513   1.294  -0.345
   64    HH2  TRP   6           HH2      TRP   6  -3.872   1.413   0.419
   65    H    GLN   7           H        GLN   7   1.175  -4.499  -2.458
   66    HA   GLN   7           HA       GLN   7   3.552  -6.011  -1.582
   67   1HB   GLN   7          2HB       GLN   7   2.382  -6.627  -3.624
   68   2HB   GLN   7          1HB       GLN   7   2.537  -4.985  -4.250
   69   1HG   GLN   7          2HG       GLN   7   4.399  -5.795  -5.279
   70   2HG   GLN   7          1HG       GLN   7   5.147  -5.587  -3.695
   71   1HE2  GLN   7          2HE2      GLN   7   5.115  -9.238  -5.156
   72   2HE2  GLN   7          1HE2      GLN   7   5.104  -7.798  -6.056
   73    H    TRP   8           H        TRP   8   5.141  -4.751  -0.627
   74    HA   TRP   8           HA       TRP   8   5.608  -2.025  -0.802
   75   1HB   TRP   8          2HB       TRP   8   7.303  -4.454  -0.408
   76   2HB   TRP   8          1HB       TRP   8   8.094  -2.880  -0.520
   77    HD1  TRP   8           HD1      TRP   8   6.271  -5.046   1.815
   78    HE1  TRP   8           HE1      TRP   8   5.743  -3.806   4.002
   79    HE3  TRP   8           HE3      TRP   8   7.352  -0.323   0.383
   80    HZ2  TRP   8           HZ2      TRP   8   5.782  -1.127   5.017
   81    HZ3  TRP   8           HZ3      TRP   8   7.106   1.581   1.957
   82    HH2  TRP   8           HH2      TRP   8   6.318   1.182   4.275
   83    H    ARG   9           H        ARG   9   5.494  -0.995  -2.809
   84    HA   ARG   9           HA       ARG   9   6.753  -2.109  -5.202
   85   1HB   ARG   9          2HB       ARG   9   5.417   0.503  -4.449
   86   2HB   ARG   9          1HB       ARG   9   6.037   0.192  -6.069
   87   1HG   ARG   9          2HG       ARG   9   4.595  -1.800  -6.248
   88   2HG   ARG   9          1HG       ARG   9   3.976  -1.499  -4.623
   89   1HD   ARG   9          2HD       ARG   9   2.404  -0.143  -5.528
   90   2HD   ARG   9          1HD       ARG   9   3.701   0.937  -6.079
   91    HE   ARG   9           HE       ARG   9   2.626  -1.355  -7.673
   92   1HH1  ARG   9          2HH1      ARG   9   5.061  -1.103  -8.905
   93   2HH1  ARG   9          1HH1      ARG   9   4.984   0.305  -9.911
   94   1HH2  ARG   9          1HH2      ARG   9   2.219   1.634  -8.293
   95   2HH2  ARG   9          2HH2      ARG   9   3.375   1.855  -9.564
   96    H    MET  10           H        MET  10   8.198  -0.327  -6.441
   97    HA   MET  10           HA       MET  10  10.615  -0.026  -4.851
   98   1HB   MET  10          2HB       MET  10  10.072   1.293  -7.506
   99   2HB   MET  10          1HB       MET  10  11.574   0.593  -6.912
  100   1HG   MET  10          2HG       MET  10   9.770  -1.539  -6.871
  101   2HG   MET  10          1HG       MET  10   9.403  -0.688  -8.371
  102   1HE   MET  10          1HE       MET  10  10.727  -0.119 -10.062
  103   2HE   MET  10          3HE       MET  10  12.212  -0.908 -10.608
  104   3HE   MET  10          2HE       MET  10  10.699  -1.808 -10.562
  105    H    LYS  11           H        LYS  11  11.653   2.034  -4.405
  106    HA   LYS  11           HA       LYS  11  10.076   4.512  -4.665
  107   1HB   LYS  11          2HB       LYS  11   9.880   2.801  -2.396
  108   2HB   LYS  11          1HB       LYS  11  10.786   4.228  -1.891
  109   1HG   LYS  11          2HG       LYS  11   8.085   4.223  -3.272
  110   2HG   LYS  11          1HG       LYS  11   8.390   4.623  -1.581
  111   1HD   LYS  11          2HD       LYS  11   9.903   6.476  -2.369
  112   2HD   LYS  11          1HD       LYS  11   9.367   6.139  -4.015
  113   1HE   LYS  11          2HE       LYS  11   7.232   6.968  -3.636
  114   2HE   LYS  11          1HE       LYS  11   7.276   6.572  -1.906
  115   1HZ   LYS  11          2HZ       LYS  11   9.060   8.587  -3.154
  116   2HZ   LYS  11          1HZ       LYS  11   7.571   8.992  -2.443
  117   3HZ   LYS  11          3HZ       LYS  11   8.804   8.312  -1.498
  118    H    LYS  12           H        LYS  12  11.365   6.393  -3.778
  119    HA   LYS  12           HA       LYS  12  14.131   6.235  -4.578
  120   1HB   LYS  12          2HB       LYS  12  12.910   8.344  -2.797
  121   2HB   LYS  12          1HB       LYS  12  14.146   8.544  -4.036
  122   1HG   LYS  12          2HG       LYS  12  11.909   7.419  -5.347
  123   2HG   LYS  12          1HG       LYS  12  11.278   8.702  -4.314
  124   1HD   LYS  12          2HD       LYS  12  13.658   9.703  -5.486
  125   2HD   LYS  12          1HD       LYS  12  12.735   8.944  -6.784
  126   1HE   LYS  12          2HE       LYS  12  11.003  10.491  -5.012
  127   2HE   LYS  12          1HE       LYS  12  12.270  11.494  -5.747
  128   1HZ   LYS  12          1HZ       LYS  12  11.708  10.169  -7.861
  129   2HZ   LYS  12          3HZ       LYS  12  10.249   9.805  -7.078
  130   3HZ   LYS  12          2HZ       LYS  12  10.660  11.422  -7.393
  131    H    LEU  13           H        LEU  13  15.539   7.579  -2.640
  132    HA   LEU  13           HA       LEU  13  16.502   5.603  -0.916
  133   1HB   LEU  13          2HB       LEU  13  17.601   7.466   0.203
  134   2HB   LEU  13          1HB       LEU  13  17.530   7.809  -1.526
  135    HG   LEU  13           HG       LEU  13  15.129   8.731  -0.166
  136   1HD1  LEU  13          1HD1      LEU  13  17.803   9.421   0.974
  137   2HD1  LEU  13          3HD1      LEU  13  16.627  10.725   0.804
  138   3HD1  LEU  13          2HD1      LEU  13  16.236   9.306   1.776
  139   1HD2  LEU  13          1HD2      LEU  13  16.140   9.345  -2.457
  140   2HD2  LEU  13          3HD2      LEU  13  15.524  10.675  -1.476
  141   3HD2  LEU  13          2HD2      LEU  13  17.259  10.367  -1.555
  142    H    GLY  14           H        GLY  14  16.178   5.249   1.380
  143   1HA   GLY  14          2HA       GLY  14  14.974   5.877   3.457
  144   2HA   GLY  14          1HA       GLY  14  13.605   6.331   2.444
  145    H    ALA  15           H        ALA  15  12.733   4.477   1.070
  146    HA   ALA  15           HA       ALA  15  13.204   1.738   1.862
  147   1HB   ALA  15          3HB       ALA  15  11.649   3.423   3.596
  148   2HB   ALA  15          2HB       ALA  15  10.601   2.172   2.929
  149   3HB   ALA  15          1HB       ALA  15  12.062   1.722   3.806
  150    HA   PRO  16           HA       PRO  16  10.462   0.833  -1.455
  151   1HB   PRO  16          2HB       PRO  16   8.821  -1.168  -0.497
  152   2HB   PRO  16          1HB       PRO  16  10.536  -1.411  -0.904
  153   1HG   PRO  16          2HG       PRO  16   9.254  -1.016   1.750
  154   2HG   PRO  16          1HG       PRO  16  10.593  -2.078   1.289
  155   1HD   PRO  16          2HD       PRO  16  10.928   0.299   2.578
  156   2HD   PRO  16          1HD       PRO  16  12.153  -0.423   1.512
  157    H    SER  17           H        SER  17   7.905   0.409  -1.906
  158    HA   SER  17           HA       SER  17   6.323   2.309  -0.208
  159   1HB   SER  17          2HB       SER  17   7.244   2.555  -2.938
  160   2HB   SER  17          1HB       SER  17   5.482   2.532  -2.902
  161    HG   SER  17           HG       SER  17   5.738   4.120  -1.134
  162    H    ILE  18           H        ILE  18   5.068   0.617   0.728
  163    HA   ILE  18           HA       ILE  18   3.899  -1.511  -0.882
  164    HB   ILE  18           HB       ILE  18   4.511  -1.099   1.754
  165   1HG1  ILE  18          2HG1      ILE  18   2.428  -3.049   0.736
  166   2HG1  ILE  18          1HG1      ILE  18   4.167  -3.257   0.550
  167   1HG2  ILE  18          2HG2      ILE  18   1.503  -0.870   1.516
  168   2HG2  ILE  18          1HG2      ILE  18   2.381  -1.180   3.015
  169   3HG2  ILE  18          3HG2      ILE  18   2.596   0.353   2.169
  170   1HD1  ILE  18          2HD1      ILE  18   3.904  -2.703   3.246
  171   2HD1  ILE  18          1HD1      ILE  18   2.481  -3.690   2.907
  172   3HD1  ILE  18          3HD1      ILE  18   4.092  -4.313   2.550
  173    H    THR  19           H        THR  19   2.275  -1.107  -2.292
  174    HA   THR  19           HA       THR  19   0.246   0.985  -1.581
  175    HB   THR  19           HB       THR  19   0.953  -0.094  -4.322
  176    HG1  THR  19           HG1      THR  19   2.818   0.782  -3.541
  177   1HG2  THR  19          3HG2      THR  19  -0.505   2.328  -3.263
  178   2HG2  THR  19          2HG2      THR  19   0.110   2.259  -4.915
  179   3HG2  THR  19          1HG2      THR  19  -1.100   1.094  -4.373
  180    H    CYS  20           H        CYS  20  -1.957   0.461  -2.640
  181    HA   CYS  20           HA       CYS  20  -2.769  -2.232  -1.832
  182   1HB   CYS  20          2HB       CYS  20  -4.244  -0.414  -1.379
  183   2HB   CYS  20          1HB       CYS  20  -4.088   0.222  -3.016
  184    H    VAL  21           H        VAL  21  -2.344  -3.931  -3.222
  185    HA   VAL  21           HA       VAL  21  -2.473  -3.425  -6.152
  186    HB   VAL  21           HB       VAL  21  -0.925  -5.185  -6.362
  187   1HG1  VAL  21          1HG1      VAL  21  -0.513  -4.099  -3.560
  188   2HG1  VAL  21          3HG1      VAL  21   0.697  -5.001  -4.472
  189   3HG1  VAL  21          2HG1      VAL  21   0.146  -3.430  -5.053
  190   1HG2  VAL  21          1HG2      VAL  21  -2.469  -6.301  -4.109
  191   2HG2  VAL  21          3HG2      VAL  21  -1.692  -7.127  -5.459
  192   3HG2  VAL  21          2HG2      VAL  21  -0.744  -6.657  -4.049
  193    H    ARG  22           H        ARG  22  -4.695  -3.883  -4.193
  194    HA   ARG  22           HA       ARG  22  -6.318  -5.634  -5.886
  195   1HB   ARG  22          2HB       ARG  22  -5.022  -7.217  -4.487
  196   2HB   ARG  22          1HB       ARG  22  -5.615  -6.410  -3.035
  197   1HG   ARG  22          2HG       ARG  22  -7.136  -8.159  -3.217
  198   2HG   ARG  22          1HG       ARG  22  -7.980  -6.889  -4.102
  199   1HD   ARG  22          2HD       ARG  22  -7.113  -7.775  -6.236
  200   2HD   ARG  22          1HD       ARG  22  -6.241  -9.045  -5.356
  201    HE   ARG  22           HE       ARG  22  -8.431  -9.912  -4.592
  202   1HH1  ARG  22          2HH1      ARG  22 -10.720  -8.870  -4.648
  203   2HH1  ARG  22          1HH1      ARG  22 -11.301  -8.635  -6.262
  204   1HH2  ARG  22          1HH2      ARG  22  -8.182  -9.019  -7.725
  205   2HH2  ARG  22          2HH2      ARG  22  -9.864  -8.719  -8.004
  206    H    ARG  23           H        ARG  23  -7.566  -3.593  -5.936
  207    HA   ARG  23           HA       ARG  23  -8.630  -2.491  -3.446
  208   1HB   ARG  23          2HB       ARG  23  -9.244  -2.079  -6.392
  209   2HB   ARG  23          1HB       ARG  23  -9.905  -1.084  -5.096
  210   1HG   ARG  23          2HG       ARG  23  -7.636  -0.444  -4.402
  211   2HG   ARG  23          1HG       ARG  23  -6.953  -1.463  -5.669
  212   1HD   ARG  23          2HD       ARG  23  -7.482   0.032  -7.339
  213   2HD   ARG  23          1HD       ARG  23  -8.980   0.548  -6.537
  214    HE   ARG  23           HE       ARG  23  -6.523   1.283  -5.106
  215   1HH1  ARG  23          1HH2      ARG  23  -8.495   2.122  -7.781
  216   2HH1  ARG  23          2HH2      ARG  23  -8.429   3.826  -7.477
  217   1HH2  ARG  23          2HH1      ARG  23  -6.610   3.500  -4.542
  218   2HH2  ARG  23          1HH1      ARG  23  -7.362   4.606  -5.644
  219    H    ALA  24           H        ALA  24  -9.416  -4.900  -2.990
  220    HA   ALA  24           HA       ALA  24 -11.628  -6.074  -4.288
  221   1HB   ALA  24          1HB       ALA  24 -10.666  -5.955  -1.424
  222   2HB   ALA  24          3HB       ALA  24 -12.040  -6.956  -1.895
  223   3HB   ALA  24          2HB       ALA  24 -10.448  -7.259  -2.592
  224    H    PHE  25           HN       PHE  25 -13.482  -4.947  -4.797
  225    HA   PHE  25           HA       PHE  25 -14.535  -2.620  -3.789
  226   1HB   PHE  25          2HB       PHE  25 -15.636  -5.136  -4.943
  227   2HB   PHE  25          1HB       PHE  25 -16.800  -4.013  -4.240
  228    HD1  PHE  25           HD1      PHE  25 -16.764  -1.579  -5.004
  229    HD2  PHE  25           HD2      PHE  25 -14.653  -4.706  -7.055
  230    HE1  PHE  25           HE1      PHE  25 -16.607  -0.148  -7.024
  231    HE2  PHE  25           HE2      PHE  25 -14.496  -3.275  -9.075
  232    HZ   PHE  25           HZ       PHE  25 -15.473  -0.996  -9.059
   
  No H/Q in entry =         232
  Start of MODEL   18
    1   1H    PHE   1          2H        PHE   1  -8.074   2.417  -1.592
    2   2H    PHE   1          1H        PHE   1  -9.051   3.783  -1.847
    3   3H    PHE   1          3H        PHE   1  -8.276   3.565  -0.355
    4    HA   PHE   1           HA       PHE   1 -10.534   2.956  -0.015
    5   1HB   PHE   1          2HB       PHE   1 -11.442   1.180  -1.638
    6   2HB   PHE   1          1HB       PHE   1 -11.200   2.795  -2.303
    7    HD1  PHE   1           HD2      PHE   1  -9.422  -0.472  -1.844
    8    HD2  PHE   1           HD1      PHE   1  -9.885   3.076  -4.220
    9    HE1  PHE   1           HE2      PHE   1  -7.860  -1.398  -3.532
   10    HE2  PHE   1           HE1      PHE   1  -8.322   2.150  -5.908
   11    HZ   PHE   1           HZ       PHE   1  -7.309  -0.087  -5.565
   12    H    LYS   2           H        LYS   2 -11.300   0.759   0.830
   13    HA   LYS   2           HA       LYS   2  -9.497  -0.505   2.506
   14   1HB   LYS   2          2HB       LYS   2 -12.087  -0.736   2.059
   15   2HB   LYS   2          1HB       LYS   2 -11.595  -2.112   1.070
   16   1HG   LYS   2          2HG       LYS   2 -11.131  -3.377   2.884
   17   2HG   LYS   2          1HG       LYS   2 -10.245  -2.066   3.664
   18   1HD   LYS   2          2HD       LYS   2 -12.139  -1.226   4.718
   19   2HD   LYS   2          1HD       LYS   2 -13.234  -1.898   3.510
   20   1HE   LYS   2          2HE       LYS   2 -11.704  -3.963   4.938
   21   2HE   LYS   2          1HE       LYS   2 -12.773  -3.019   5.993
   22   1HZ   LYS   2          1HZ       LYS   2 -13.698  -3.970   3.357
   23   2HZ   LYS   2          3HZ       LYS   2 -13.783  -4.984   4.713
   24   3HZ   LYS   2          2HZ       LYS   2 -14.623  -3.507   4.704
   25    H    CYS   3           H        CYS   3  -7.500  -1.265   1.848
   26    HA   CYS   3           HA       CYS   3  -7.348  -2.897  -0.656
   27   1HB   CYS   3          2HB       CYS   3  -5.902  -0.753   0.205
   28   2HB   CYS   3          1HB       CYS   3  -4.900  -2.082   0.782
   29    H    ARG   4           H        ARG   4  -4.959  -4.199  -0.030
   30    HA   ARG   4           HA       ARG   4  -5.042  -5.597   2.497
   31   1HB   ARG   4          2HB       ARG   4  -7.064  -6.564   1.750
   32   2HB   ARG   4          1HB       ARG   4  -6.478  -6.712   0.094
   33   1HG   ARG   4          2HG       ARG   4  -4.965  -8.171   2.210
   34   2HG   ARG   4          1HG       ARG   4  -6.546  -8.811   1.761
   35   1HD   ARG   4          2HD       ARG   4  -5.495  -8.313  -0.713
   36   2HD   ARG   4          1HD       ARG   4  -4.033  -8.751   0.193
   37    HE   ARG   4           HE       ARG   4  -5.418 -10.779   0.992
   38   1HH1  ARG   4          1HH2      ARG   4  -7.911 -10.075  -0.494
   39   2HH1  ARG   4          2HH2      ARG   4  -7.758 -11.018  -1.939
   40   1HH2  ARG   4          2HH1      ARG   4  -4.365 -11.597  -1.517
   41   2HH2  ARG   4          1HH1      ARG   4  -5.750 -11.880  -2.518
   42    H    ARG   5           H        ARG   5  -4.463  -6.567  -0.896
   43    HA   ARG   5           HA       ARG   5  -1.895  -7.789  -0.155
   44   1HB   ARG   5          2HB       ARG   5  -3.849  -8.305  -1.981
   45   2HB   ARG   5          1HB       ARG   5  -2.678  -7.458  -2.992
   46   1HG   ARG   5          2HG       ARG   5  -1.838  -9.696  -1.148
   47   2HG   ARG   5          1HG       ARG   5  -2.413 -10.015  -2.784
   48   1HD   ARG   5          2HD       ARG   5  -0.240  -7.973  -2.318
   49   2HD   ARG   5          1HD       ARG   5   0.152  -9.699  -2.448
   50    HE   ARG   5           HE       ARG   5  -1.620  -8.627  -4.550
   51   1HH1  ARG   5          1HH2      ARG   5   1.634  -8.373  -3.746
   52   2HH1  ARG   5          2HH2      ARG   5   2.232  -9.036  -5.231
   53   1HH2  ARG   5          2HH1      ARG   5  -0.900  -9.980  -6.379
   54   2HH2  ARG   5          1HH1      ARG   5   0.798  -9.946  -6.722
   55    H    TRP   6           H        TRP   6  -1.598  -5.134   0.431
   56    HA   TRP   6           HA       TRP   6  -0.848  -3.262  -1.457
   57   1HB   TRP   6          2HB       TRP   6   0.410  -4.055   1.182
   58   2HB   TRP   6          1HB       TRP   6   0.800  -2.564   0.324
   59    HD1  TRP   6           HD1      TRP   6  -2.185  -4.336   1.954
   60    HE1  TRP   6           HE1      TRP   6  -3.931  -2.553   2.577
   61    HE3  TRP   6           HE3      TRP   6   0.031  -0.253  -0.047
   62    HZ2  TRP   6           HZ2      TRP   6  -4.325   0.277   2.276
   63    HZ3  TRP   6           HZ3      TRP   6  -1.024   1.993   0.122
   64    HH2  TRP   6           HH2      TRP   6  -3.201   2.258   1.284
   65    H    GLN   7           H        GLN   7   1.603  -2.657  -1.905
   66    HA   GLN   7           HA       GLN   7   3.321  -5.044  -2.311
   67   1HB   GLN   7          2HB       GLN   7   2.028  -5.093  -4.305
   68   2HB   GLN   7          1HB       GLN   7   2.058  -3.337  -4.461
   69   1HG   GLN   7          2HG       GLN   7   4.256  -3.307  -5.239
   70   2HG   GLN   7          1HG       GLN   7   4.647  -4.858  -4.494
   71   1HE2  GLN   7          2HE2      GLN   7   3.149  -4.763  -8.263
   72   2HE2  GLN   7          1HE2      GLN   7   3.422  -3.337  -7.385
   73    H    TRP   8           H        TRP   8   4.865  -3.994  -0.918
   74    HA   TRP   8           HA       TRP   8   5.742  -1.381  -0.819
   75   1HB   TRP   8          2HB       TRP   8   7.036  -4.065  -0.605
   76   2HB   TRP   8          1HB       TRP   8   8.079  -2.644  -0.586
   77    HD1  TRP   8           HD1      TRP   8   5.949  -4.680   1.573
   78    HE1  TRP   8           HE1      TRP   8   5.561  -3.539   3.842
   79    HE3  TRP   8           HE3      TRP   8   7.667  -0.036   0.502
   80    HZ2  TRP   8           HZ2      TRP   8   5.941  -0.974   5.056
   81    HZ3  TRP   8           HZ3      TRP   8   7.655   1.756   2.217
   82    HH2  TRP   8           HH2      TRP   8   6.791   1.291   4.495
   83    H    ARG   9           H        ARG   9   5.642  -0.317  -2.895
   84    HA   ARG   9           HA       ARG   9   7.074  -1.374  -5.211
   85   1HB   ARG   9          2HB       ARG   9   5.457   1.015  -4.442
   86   2HB   ARG   9          1HB       ARG   9   6.524   1.180  -5.837
   87   1HG   ARG   9          2HG       ARG   9   5.483  -1.092  -6.595
   88   2HG   ARG   9          1HG       ARG   9   4.198  -0.691  -5.455
   89   1HD   ARG   9          2HD       ARG   9   3.445   0.242  -7.507
   90   2HD   ARG   9          1HD       ARG   9   4.166   1.627  -6.664
   91    HE   ARG   9           HE       ARG   9   6.281   1.122  -7.965
   92   1HH1  ARG   9          1HH2      ARG   9   5.549  -1.468  -9.167
   93   2HH1  ARG   9          2HH2      ARG   9   4.994  -1.024 -10.745
   94   1HH2  ARG   9          2HH1      ARG   9   4.559   2.321  -9.940
   95   2HH2  ARG   9          1HH1      ARG   9   4.433   1.122 -11.184
   96    H    MET  10           H        MET  10   8.467   0.706  -6.253
   97    HA   MET  10           HA       MET  10  10.842   0.808  -4.533
   98   1HB   MET  10          2HB       MET  10  10.536   2.330  -7.098
   99   2HB   MET  10          1HB       MET  10  11.928   1.441  -6.495
  100   1HG   MET  10          2HG       MET  10  10.156  -0.596  -6.748
  101   2HG   MET  10          1HG       MET  10   9.595   0.463  -8.043
  102   1HE   MET  10          2HE       MET  10  12.035  -1.638  -6.456
  103   2HE   MET  10          1HE       MET  10  11.701  -2.647  -7.861
  104   3HE   MET  10          3HE       MET  10  13.324  -1.991  -7.605
  105    H    LYS  11           H        LYS  11  11.807   2.757  -3.785
  106    HA   LYS  11           HA       LYS  11  10.311   5.304  -4.026
  107   1HB   LYS  11          2HB       LYS  11   9.832   3.505  -1.947
  108   2HB   LYS  11          1HB       LYS  11  10.925   4.699  -1.246
  109   1HG   LYS  11          2HG       LYS  11   9.346   6.440  -2.401
  110   2HG   LYS  11          1HG       LYS  11   8.190   5.109  -2.425
  111   1HD   LYS  11          2HD       LYS  11   8.476   4.828   0.020
  112   2HD   LYS  11          1HD       LYS  11   9.599   6.187   0.035
  113   1HE   LYS  11          2HE       LYS  11   6.740   6.400  -0.967
  114   2HE   LYS  11          1HE       LYS  11   7.247   6.837   0.677
  115   1HZ   LYS  11          1HZ       LYS  11   8.946   8.292  -0.315
  116   2HZ   LYS  11          3HZ       LYS  11   8.334   7.946  -1.858
  117   3HZ   LYS  11          2HZ       LYS  11   7.371   8.775  -0.730
  118    H    LYS  12           H        LYS  12  11.671   6.367  -1.704
  119    HA   LYS  12           HA       LYS  12  14.000   7.468  -2.831
  120   1HB   LYS  12          2HB       LYS  12  13.649   6.887   0.114
  121   2HB   LYS  12          1HB       LYS  12  14.443   8.272  -0.629
  122   1HG   LYS  12          2HG       LYS  12  11.833   8.262  -1.681
  123   2HG   LYS  12          1HG       LYS  12  11.647   7.929   0.041
  124   1HD   LYS  12          2HD       LYS  12  11.753  10.213   0.192
  125   2HD   LYS  12          1HD       LYS  12  13.489   9.903   0.164
  126   1HE   LYS  12          2HE       LYS  12  11.944  10.275  -2.409
  127   2HE   LYS  12          1HE       LYS  12  12.593  11.663  -1.512
  128   1HZ   LYS  12          3HZ       LYS  12  14.741  10.364  -1.422
  129   2HZ   LYS  12          2HZ       LYS  12  14.076   9.342  -2.605
  130   3HZ   LYS  12          1HZ       LYS  12  14.317  10.989  -2.942
  131    H    LEU  13           H        LEU  13  16.113   7.074  -1.131
  132    HA   LEU  13           HA       LEU  13  17.376   4.744  -2.177
  133   1HB   LEU  13          2HB       LEU  13  19.199   5.451  -0.679
  134   2HB   LEU  13          1HB       LEU  13  18.490   6.846  -1.494
  135    HG   LEU  13           HG       LEU  13  16.966   6.434   0.858
  136   1HD1  LEU  13          3HD1      LEU  13  19.385   5.233   1.299
  137   2HD1  LEU  13          2HD1      LEU  13  19.724   6.883   1.820
  138   3HD1  LEU  13          1HD1      LEU  13  18.407   5.977   2.563
  139   1HD2  LEU  13          3HD2      LEU  13  18.695   8.466  -0.388
  140   2HD2  LEU  13          2HD2      LEU  13  17.138   8.658   0.418
  141   3HD2  LEU  13          1HD2      LEU  13  18.621   8.582   1.370
  142    H    GLY  14           H        GLY  14  17.469   2.673  -1.376
  143   1HA   GLY  14          2HA       GLY  14  16.837   0.839  -0.035
  144   2HA   GLY  14          1HA       GLY  14  17.574   1.799   1.243
  145    H    ALA  15           H        ALA  15  14.585   2.288  -0.635
  146    HA   ALA  15           HA       ALA  15  12.941   1.827   1.774
  147   1HB   ALA  15          1HB       ALA  15  13.784   4.469   0.736
  148   2HB   ALA  15          3HB       ALA  15  12.066   4.326   1.108
  149   3HB   ALA  15          2HB       ALA  15  13.268   4.014   2.360
  150    HA   PRO  16           HA       PRO  16  10.471   0.843  -1.843
  151   1HB   PRO  16          2HB       PRO  16   8.860  -0.972  -0.558
  152   2HB   PRO  16          1HB       PRO  16  10.496  -1.353  -1.137
  153   1HG   PRO  16          2HG       PRO  16   9.531  -0.898   1.604
  154   2HG   PRO  16          1HG       PRO  16  10.921  -1.828   1.033
  155   1HD   PRO  16          2HD       PRO  16  10.945   0.768   2.161
  156   2HD   PRO  16          1HD       PRO  16  12.309  -0.097   1.422
  157    H    SER  17           H        SER  17   7.830   0.544  -1.868
  158    HA   SER  17           HA       SER  17   6.577   2.542  -0.043
  159   1HB   SER  17          2HB       SER  17   7.450   3.052  -2.686
  160   2HB   SER  17          1HB       SER  17   5.696   2.915  -2.774
  161    HG   SER  17           HG       SER  17   6.787   4.364  -0.655
  162    H    ILE  18           H        ILE  18   5.318   0.785   0.835
  163    HA   ILE  18           HA       ILE  18   3.912  -1.145  -0.742
  164    HB   ILE  18           HB       ILE  18   4.434  -0.591   1.933
  165   1HG1  ILE  18          2HG1      ILE  18   2.481  -2.625   0.820
  166   2HG1  ILE  18          1HG1      ILE  18   4.233  -2.811   0.844
  167   1HG2  ILE  18          1HG2      ILE  18   1.470  -0.304   1.405
  168   2HG2  ILE  18          3HG2      ILE  18   2.129  -0.758   2.977
  169   3HG2  ILE  18          2HG2      ILE  18   2.523   0.811   2.275
  170   1HD1  ILE  18          1HD1      ILE  18   3.724  -2.159   3.454
  171   2HD1  ILE  18          3HD1      ILE  18   2.278  -3.079   3.038
  172   3HD1  ILE  18          2HD1      ILE  18   3.872  -3.810   2.856
  173    H    THR  19           H        THR  19   2.439  -0.568  -2.275
  174    HA   THR  19           HA       THR  19   0.623   1.749  -1.731
  175    HB   THR  19           HB       THR  19   1.397   0.338  -4.306
  176    HG1  THR  19           HG1      THR  19   3.155   1.416  -3.570
  177   1HG2  THR  19          3HG2      THR  19  -0.271   2.773  -3.679
  178   2HG2  THR  19          2HG2      THR  19   0.483   2.548  -5.258
  179   3HG2  THR  19          1HG2      THR  19  -0.699   1.378  -4.670
  180    H    CYS  20           H        CYS  20  -1.606   1.408  -2.872
  181    HA   CYS  20           HA       CYS  20  -2.779  -1.048  -1.801
  182   1HB   CYS  20          2HB       CYS  20  -3.863   1.179  -1.710
  183   2HB   CYS  20          1HB       CYS  20  -3.914   1.222  -3.472
  184    H    VAL  21           H        VAL  21  -2.937  -2.922  -2.948
  185    HA   VAL  21           HA       VAL  21  -3.177  -2.776  -5.910
  186    HB   VAL  21           HB       VAL  21  -0.944  -3.332  -5.895
  187   1HG1  VAL  21          2HG1      VAL  21  -1.475  -4.064  -3.045
  188   2HG1  VAL  21          1HG1      VAL  21  -0.019  -4.690  -3.815
  189   3HG1  VAL  21          3HG1      VAL  21  -0.285  -2.949  -3.715
  190   1HG2  VAL  21          1HG2      VAL  21  -2.137  -5.455  -6.568
  191   2HG2  VAL  21          3HG2      VAL  21  -0.506  -5.694  -5.943
  192   3HG2  VAL  21          2HG2      VAL  21  -1.899  -6.031  -4.918
  193    H    ARG  22           H        ARG  22  -5.114  -3.202  -3.835
  194    HA   ARG  22           HA       ARG  22  -6.329  -5.675  -4.846
  195   1HB   ARG  22          2HB       ARG  22  -4.691  -6.327  -3.021
  196   2HB   ARG  22          1HB       ARG  22  -5.689  -5.406  -1.894
  197   1HG   ARG  22          2HG       ARG  22  -6.820  -7.358  -1.625
  198   2HG   ARG  22          1HG       ARG  22  -7.572  -6.943  -3.166
  199   1HD   ARG  22          2HD       ARG  22  -4.962  -8.216  -3.537
  200   2HD   ARG  22          1HD       ARG  22  -6.110  -9.258  -2.673
  201    HE   ARG  22           HE       ARG  22  -7.748  -8.697  -4.548
  202   1HH1  ARG  22          2HH1      ARG  22  -6.656  -6.828  -6.286
  203   2HH1  ARG  22          1HH1      ARG  22  -5.681  -7.714  -7.411
  204   1HH2  ARG  22          1HH2      ARG  22  -5.488 -10.547  -5.419
  205   2HH2  ARG  22          2HH2      ARG  22  -5.020  -9.819  -6.921
  206    H    ARG  23           H        ARG  23  -8.119  -4.348  -5.438
  207    HA   ARG  23           HA       ARG  23  -9.356  -2.524  -3.519
  208   1HB   ARG  23          2HB       ARG  23 -10.927  -2.191  -5.376
  209   2HB   ARG  23          1HB       ARG  23  -9.276  -2.204  -5.992
  210   1HG   ARG  23          2HG       ARG  23  -9.732  -4.792  -6.272
  211   2HG   ARG  23          1HG       ARG  23 -11.421  -4.280  -6.274
  212   1HD   ARG  23          2HD       ARG  23 -10.880  -2.648  -8.101
  213   2HD   ARG  23          1HD       ARG  23  -9.239  -3.319  -8.159
  214    HE   ARG  23           HE       ARG  23 -10.156  -5.416  -8.937
  215   1HH1  ARG  23          2HH1      ARG  23 -12.750  -5.150  -7.328
  216   2HH1  ARG  23          1HH1      ARG  23 -13.911  -4.992  -8.604
  217   1HH2  ARG  23          1HH2      ARG  23 -11.541  -4.272 -11.031
  218   2HH2  ARG  23          2HH2      ARG  23 -13.227  -4.495 -10.700
  219    H    ALA  24           H        ALA  24 -10.040  -3.815  -1.735
  220    HA   ALA  24           HA       ALA  24 -11.924  -6.057  -2.302
  221   1HB   ALA  24          3HB       ALA  24  -9.879  -6.203  -0.769
  222   2HB   ALA  24          2HB       ALA  24 -10.755  -5.145   0.339
  223   3HB   ALA  24          1HB       ALA  24 -11.405  -6.736  -0.061
  224    H    PHE  25           HN       PHE  25 -13.961  -5.144  -2.625
  225    HA   PHE  25           HA       PHE  25 -15.097  -2.811  -1.731
  226   1HB   PHE  25          2HB       PHE  25 -16.065  -5.586  -2.243
  227   2HB   PHE  25          1HB       PHE  25 -17.203  -4.464  -1.496
  228    HD1  PHE  25           HD2      PHE  25 -14.944  -4.935  -4.421
  229    HD2  PHE  25           HD1      PHE  25 -18.229  -2.728  -2.754
  230    HE1  PHE  25           HE2      PHE  25 -15.352  -3.877  -6.627
  231    HE2  PHE  25           HE1      PHE  25 -18.638  -1.670  -4.959
  232    HZ   PHE  25           HZ       PHE  25 -17.199  -2.244  -6.896
   
  No H/Q in entry =         232
  Start of MODEL   19
    1   1H    PHE   1          2H        PHE   1 -10.307   2.806   3.174
    2   2H    PHE   1          1H        PHE   1  -9.085   3.614   2.313
    3   3H    PHE   1          3H        PHE   1 -10.709   3.819   1.870
    4    HA   PHE   1           HA       PHE   1 -10.827   1.842   0.770
    5   1HB   PHE   1          2HB       PHE   1  -8.557   3.414   0.434
    6   2HB   PHE   1          1HB       PHE   1  -7.905   1.778   0.541
    7    HD1  PHE   1           HD1      PHE   1  -8.898  -0.033  -0.955
    8    HD2  PHE   1           HD2      PHE   1  -9.681   4.153  -1.517
    9    HE1  PHE   1           HE1      PHE   1  -9.644  -0.484  -3.277
   10    HE2  PHE   1           HE2      PHE   1 -10.427   3.702  -3.839
   11    HZ   PHE   1           HZ       PHE   1 -10.409   1.384  -4.719
   12    H    LYS   2           H        LYS   2 -10.677  -0.418   0.921
   13    HA   LYS   2           HA       LYS   2  -9.178  -1.470   3.297
   14   1HB   LYS   2          2HB       LYS   2 -10.944  -3.303   3.100
   15   2HB   LYS   2          1HB       LYS   2 -11.557  -1.706   3.530
   16   1HG   LYS   2          2HG       LYS   2 -12.422  -1.319   1.377
   17   2HG   LYS   2          1HG       LYS   2 -11.401  -2.558   0.646
   18   1HD   LYS   2          2HD       LYS   2 -13.390  -3.725   0.736
   19   2HD   LYS   2          1HD       LYS   2 -12.749  -4.135   2.326
   20   1HE   LYS   2          2HE       LYS   2 -14.066  -2.367   3.373
   21   2HE   LYS   2          1HE       LYS   2 -14.634  -1.813   1.784
   22   1HZ   LYS   2          1HZ       LYS   2 -15.390  -4.191   1.446
   23   2HZ   LYS   2          3HZ       LYS   2 -15.168  -4.406   3.113
   24   3HZ   LYS   2          2HZ       LYS   2 -16.294  -3.267   2.548
   25    H    CYS   3           H        CYS   3  -7.328  -1.469   1.586
   26    HA   CYS   3           HA       CYS   3  -7.322  -3.217  -0.667
   27   1HB   CYS   3          2HB       CYS   3  -5.643  -1.415   0.418
   28   2HB   CYS   3          1HB       CYS   3  -4.869  -2.892   0.988
   29    H    ARG   4           H        ARG   4  -5.123  -4.890  -0.156
   30    HA   ARG   4           HA       ARG   4  -5.954  -6.721   2.032
   31   1HB   ARG   4          2HB       ARG   4  -7.327  -7.568   0.336
   32   2HB   ARG   4          1HB       ARG   4  -6.166  -7.176  -0.929
   33   1HG   ARG   4          2HG       ARG   4  -5.225  -9.119   1.099
   34   2HG   ARG   4          1HG       ARG   4  -6.521  -9.687   0.046
   35   1HD   ARG   4          2HD       ARG   4  -4.531  -8.244  -1.501
   36   2HD   ARG   4          1HD       ARG   4  -3.784  -9.580  -0.602
   37    HE   ARG   4           HE       ARG   4  -6.135  -9.902  -2.429
   38   1HH1  ARG   4          2HH1      ARG   4  -4.183 -11.411  -0.114
   39   2HH1  ARG   4          1HH1      ARG   4  -3.913 -12.849  -1.041
   40   1HH2  ARG   4          1HH2      ARG   4  -5.461 -11.623  -3.891
   41   2HH2  ARG   4          2HH2      ARG   4  -4.637 -12.970  -3.179
   42    H    ARG   5           H        ARG   5  -3.651  -5.962  -0.570
   43    HA   ARG   5           HA       ARG   5  -1.494  -7.138   1.123
   44   1HB   ARG   5          2HB       ARG   5  -2.057  -8.923  -0.343
   45   2HB   ARG   5          1HB       ARG   5  -2.240  -7.834  -1.719
   46   1HG   ARG   5          2HG       ARG   5   0.137  -7.406  -1.784
   47   2HG   ARG   5          1HG       ARG   5   0.385  -8.285  -0.274
   48   1HD   ARG   5          2HD       ARG   5   0.596 -10.224  -1.422
   49   2HD   ARG   5          1HD       ARG   5  -1.007  -9.988  -2.147
   50    HE   ARG   5           HE       ARG   5   1.392  -8.577  -3.247
   51   1HH1  ARG   5          2HH1      ARG   5  -1.818  -9.258  -3.794
   52   2HH1  ARG   5          1HH1      ARG   5  -1.614  -9.859  -5.406
   53   1HH2  ARG   5          1HH2      ARG   5   1.849  -9.913  -5.230
   54   2HH2  ARG   5          2HH2      ARG   5   0.462 -10.230  -6.218
   55    H    TRP   6           H        TRP   6  -0.719  -4.970   1.487
   56    HA   TRP   6           HA       TRP   6  -0.194  -3.112  -0.636
   57   1HB   TRP   6          2HB       TRP   6   0.789  -3.432   2.214
   58   2HB   TRP   6          1HB       TRP   6   1.061  -1.991   1.232
   59    HD1  TRP   6           HD1      TRP   6  -1.849  -4.073   2.618
   60    HE1  TRP   6           HE1      TRP   6  -3.883  -2.508   2.862
   61    HE3  TRP   6           HE3      TRP   6   0.103   0.113   0.610
   62    HZ2  TRP   6           HZ2      TRP   6  -4.578   0.227   2.275
   63    HZ3  TRP   6           HZ3      TRP   6  -1.231   2.216   0.446
   64    HH2  TRP   6           HH2      TRP   6  -3.571   2.270   1.277
   65    H    GLN   7           H        GLN   7   1.251  -3.831  -2.235
   66    HA   GLN   7           HA       GLN   7   3.656  -5.373  -1.477
   67   1HB   GLN   7          2HB       GLN   7   2.543  -6.114  -3.433
   68   2HB   GLN   7          1HB       GLN   7   2.318  -4.470  -4.030
   69   1HG   GLN   7          2HG       GLN   7   4.133  -5.749  -5.223
   70   2HG   GLN   7          1HG       GLN   7   4.684  -4.242  -4.487
   71   1HE2  GLN   7          2HE2      GLN   7   7.181  -5.987  -2.738
   72   2HE2  GLN   7          1HE2      GLN   7   6.742  -4.625  -3.649
   73    H    TRP   8           H        TRP   8   5.277  -4.098  -0.610
   74    HA   TRP   8           HA       TRP   8   5.749  -1.381  -0.843
   75   1HB   TRP   8          2HB       TRP   8   7.459  -3.812  -0.509
   76   2HB   TRP   8          1HB       TRP   8   8.236  -2.233  -0.643
   77    HD1  TRP   8           HD1      TRP   8   6.463  -4.414   1.738
   78    HE1  TRP   8           HE1      TRP   8   6.020  -3.182   3.950
   79    HE3  TRP   8           HE3      TRP   8   7.576   0.307   0.312
   80    HZ2  TRP   8           HZ2      TRP   8   6.132  -0.513   4.984
   81    HZ3  TRP   8           HZ3      TRP   8   7.408   2.201   1.908
   82    HH2  TRP   8           HH2      TRP   8   6.683   1.793   4.246
   83    H    ARG   9           H        ARG   9   5.556  -0.370  -2.859
   84    HA   ARG   9           HA       ARG   9   6.724  -1.518  -5.284
   85   1HB   ARG   9          2HB       ARG   9   5.250   0.970  -4.460
   86   2HB   ARG   9          1HB       ARG   9   6.044   0.923  -6.034
   87   1HG   ARG   9          2HG       ARG   9   4.788  -1.483  -6.064
   88   2HG   ARG   9          1HG       ARG   9   3.659  -0.555  -5.077
   89   1HD   ARG   9          2HD       ARG   9   3.173  -0.434  -7.556
   90   2HD   ARG   9          1HD       ARG   9   3.475   1.154  -6.823
   91    HE   ARG   9           HE       ARG   9   5.956  -0.010  -7.694
   92   1HH1  ARG   9          2HH1      ARG   9   3.208   1.850  -8.578
   93   2HH1  ARG   9          1HH1      ARG   9   3.856   2.338 -10.108
   94   1HH2  ARG   9          1HH2      ARG   9   6.749   0.456  -9.783
   95   2HH2  ARG   9          2HH2      ARG   9   5.861   1.549 -10.790
   96    H    MET  10           H        MET  10   8.009   0.485  -6.565
   97    HA   MET  10           HA       MET  10  10.527   0.698  -5.081
   98   1HB   MET  10          2HB       MET  10   9.962   2.086  -7.679
   99   2HB   MET  10          1HB       MET  10  11.418   1.246  -7.164
  100   1HG   MET  10          2HG       MET  10   9.746  -0.848  -7.155
  101   2HG   MET  10          1HG       MET  10   8.923   0.138  -8.364
  102   1HE   MET  10          2HE       MET  10  10.265  -2.673  -8.394
  103   2HE   MET  10          1HE       MET  10  11.690  -2.845  -9.415
  104   3HE   MET  10          3HE       MET  10  11.862  -2.343  -7.727
  105    H    LYS  11           H        LYS  11  11.536   2.679  -4.523
  106    HA   LYS  11           HA       LYS  11  10.163   5.252  -4.836
  107   1HB   LYS  11          2HB       LYS  11   9.314   3.609  -2.798
  108   2HB   LYS  11          1HB       LYS  11  10.538   4.590  -1.994
  109   1HG   LYS  11          2HG       LYS  11   8.305   5.649  -1.859
  110   2HG   LYS  11          1HG       LYS  11   9.439   6.642  -2.776
  111   1HD   LYS  11          2HD       LYS  11   8.471   6.045  -4.848
  112   2HD   LYS  11          1HD       LYS  11   7.635   4.654  -4.154
  113   1HE   LYS  11          2HE       LYS  11   6.592   6.683  -2.639
  114   2HE   LYS  11          1HE       LYS  11   6.818   7.495  -4.202
  115   1HZ   LYS  11          2HZ       LYS  11   5.917   5.171  -5.048
  116   2HZ   LYS  11          1HZ       LYS  11   5.146   5.193  -3.533
  117   3HZ   LYS  11          3HZ       LYS  11   4.868   6.445  -4.644
  118    H    LYS  12           H        LYS  12  11.416   6.419  -2.540
  119    HA   LYS  12           HA       LYS  12  13.954   7.149  -3.540
  120   1HB   LYS  12          2HB       LYS  12  13.315   6.989  -0.594
  121   2HB   LYS  12          1HB       LYS  12  14.258   8.210  -1.440
  122   1HG   LYS  12          2HG       LYS  12  12.374   9.453  -1.487
  123   2HG   LYS  12          1HG       LYS  12  11.787   8.322  -2.706
  124   1HD   LYS  12          2HD       LYS  12  10.288   7.411  -1.283
  125   2HD   LYS  12          1HD       LYS  12  11.483   7.282   0.008
  126   1HE   LYS  12          2HE       LYS  12  10.984   9.393   0.867
  127   2HE   LYS  12          1HE       LYS  12  10.387   9.995  -0.693
  128   1HZ   LYS  12          3HZ       LYS  12   8.566   8.353  -0.522
  129   2HZ   LYS  12          2HZ       LYS  12   9.090   7.964   1.046
  130   3HZ   LYS  12          1HZ       LYS  12   8.512   9.525   0.703
  131    H    LEU  13           H        LEU  13  15.881   6.724  -1.652
  132    HA   LEU  13           HA       LEU  13  16.570   3.936  -2.119
  133   1HB   LEU  13          2HB       LEU  13  17.875   6.480  -1.472
  134   2HB   LEU  13          1HB       LEU  13  18.614   5.078  -0.688
  135    HG   LEU  13           HG       LEU  13  17.941   4.341  -3.346
  136   1HD1  LEU  13          1HD1      LEU  13  18.377   7.085  -3.250
  137   2HD1  LEU  13          3HD1      LEU  13  19.954   6.437  -3.699
  138   3HD1  LEU  13          2HD1      LEU  13  18.538   6.069  -4.683
  139   1HD2  LEU  13          1HD2      LEU  13  19.752   3.401  -1.932
  140   2HD2  LEU  13          3HD2      LEU  13  20.369   3.937  -3.496
  141   3HD2  LEU  13          2HD2      LEU  13  20.630   4.926  -2.059
  142    H    GLY  14           H        GLY  14  17.176   2.462  -0.444
  143   1HA   GLY  14          2HA       GLY  14  16.737   1.357   1.578
  144   2HA   GLY  14          1HA       GLY  14  17.194   2.896   2.313
  145    H    ALA  15           H        ALA  15  14.478   2.893   0.147
  146    HA   ALA  15           HA       ALA  15  12.518   2.521   2.331
  147   1HB   ALA  15          2HB       ALA  15  13.681   4.937   2.152
  148   2HB   ALA  15          1HB       ALA  15  12.403   5.162   0.957
  149   3HB   ALA  15          3HB       ALA  15  11.992   4.744   2.621
  150    HA   PRO  16           HA       PRO  16  10.650   1.378  -1.632
  151   1HB   PRO  16          2HB       PRO  16   9.030  -0.560  -0.543
  152   2HB   PRO  16          1HB       PRO  16  10.732  -0.838  -0.977
  153   1HG   PRO  16          2HG       PRO  16   9.501  -0.399   1.680
  154   2HG   PRO  16          1HG       PRO  16  10.897  -1.385   1.229
  155   1HD   PRO  16          2HD       PRO  16  11.018   1.115   2.421
  156   2HD   PRO  16          1HD       PRO  16  12.345   0.329   1.542
  157    H    SER  17           H        SER  17   8.068   0.981  -1.981
  158    HA   SER  17           HA       SER  17   6.571   2.942  -0.277
  159   1HB   SER  17          2HB       SER  17   7.473   3.215  -2.971
  160   2HB   SER  17          1HB       SER  17   5.719   3.058  -3.014
  161    HG   SER  17           HG       SER  17   6.854   4.709  -1.067
  162    H    ILE  18           H        ILE  18   5.306   1.289   0.724
  163    HA   ILE  18           HA       ILE  18   4.041  -0.827  -0.841
  164    HB   ILE  18           HB       ILE  18   4.772  -0.434   1.770
  165   1HG1  ILE  18          2HG1      ILE  18   2.641  -2.354   0.799
  166   2HG1  ILE  18          1HG1      ILE  18   4.373  -2.581   0.584
  167   1HG2  ILE  18          2HG2      ILE  18   1.762  -0.152   1.641
  168   2HG2  ILE  18          1HG2      ILE  18   2.675  -0.519   3.105
  169   3HG2  ILE  18          3HG2      ILE  18   2.901   1.029   2.290
  170   1HD1  ILE  18          2HD1      ILE  18   4.221  -2.067   3.273
  171   2HD1  ILE  18          1HD1      ILE  18   2.716  -2.943   2.993
  172   3HD1  ILE  18          3HD1      ILE  18   4.259  -3.684   2.569
  173    H    THR  19           H        THR  19   2.309  -0.454  -2.124
  174    HA   THR  19           HA       THR  19   0.405   1.737  -1.370
  175    HB   THR  19           HB       THR  19   1.734   1.866  -3.524
  176    HG1  THR  19           HG1      THR  19  -0.354   2.838  -3.229
  177   1HG2  THR  19          3HG2      THR  19   0.068  -0.588  -4.121
  178   2HG2  THR  19          2HG2      THR  19   0.886   0.359  -5.364
  179   3HG2  THR  19          1HG2      THR  19   1.828  -0.466  -4.121
  180    H    CYS  20           H        CYS  20  -1.642   0.855  -3.153
  181    HA   CYS  20           HA       CYS  20  -2.643  -1.512  -1.630
  182   1HB   CYS  20          2HB       CYS  20  -3.959   0.570  -1.623
  183   2HB   CYS  20          1HB       CYS  20  -4.000   0.564  -3.386
  184    H    VAL  21           H        VAL  21  -2.790  -3.477  -2.689
  185    HA   VAL  21           HA       VAL  21  -2.682  -3.426  -5.677
  186    HB   VAL  21           HB       VAL  21  -1.081  -5.130  -5.634
  187   1HG1  VAL  21          2HG1      VAL  21  -0.718  -3.677  -2.997
  188   2HG1  VAL  21          1HG1      VAL  21   0.511  -4.694  -3.746
  189   3HG1  VAL  21          3HG1      VAL  21  -0.030  -3.226  -4.558
  190   1HG2  VAL  21          2HG2      VAL  21  -2.403  -5.902  -3.044
  191   2HG2  VAL  21          1HG2      VAL  21  -2.123  -6.882  -4.483
  192   3HG2  VAL  21          3HG2      VAL  21  -0.780  -6.487  -3.410
  193    H    ARG  22           H        ARG  22  -4.947  -3.545  -3.766
  194    HA   ARG  22           HA       ARG  22  -6.445  -5.675  -5.109
  195   1HB   ARG  22          2HB       ARG  22  -5.110  -6.091  -2.580
  196   2HB   ARG  22          1HB       ARG  22  -6.855  -6.232  -2.367
  197   1HG   ARG  22          2HG       ARG  22  -5.633  -7.569  -4.744
  198   2HG   ARG  22          1HG       ARG  22  -5.386  -8.313  -3.164
  199   1HD   ARG  22          2HD       ARG  22  -7.409  -9.306  -3.696
  200   2HD   ARG  22          1HD       ARG  22  -8.042  -7.801  -2.998
  201    HE   ARG  22           HE       ARG  22  -7.525  -7.124  -5.630
  202   1HH1  ARG  22          1HH2      ARG  22  -8.085 -10.120  -6.031
  203   2HH1  ARG  22          2HH2      ARG  22  -9.773 -10.082  -6.417
  204   1HH2  ARG  22          2HH1      ARG  22 -10.234  -6.842  -5.269
  205   2HH2  ARG  22          1HH1      ARG  22 -10.990  -8.225  -5.987
  206    H    ARG  23           H        ARG  23  -7.921  -3.970  -5.674
  207    HA   ARG  23           HA       ARG  23  -9.043  -2.230  -3.604
  208   1HB   ARG  23          2HB       ARG  23  -9.666  -2.790  -6.522
  209   2HB   ARG  23          1HB       ARG  23 -10.484  -1.546  -5.578
  210   1HG   ARG  23          2HG       ARG  23  -8.249  -0.535  -5.070
  211   2HG   ARG  23          1HG       ARG  23  -7.517  -1.709  -6.162
  212   1HD   ARG  23          2HD       ARG  23  -9.807  -0.281  -7.347
  213   2HD   ARG  23          1HD       ARG  23  -8.430   0.766  -6.950
  214    HE   ARG  23           HE       ARG  23  -7.421  -1.616  -8.145
  215   1HH1  ARG  23          1HH1      ARG  23  -9.222   0.257 -10.983
  216   2HH1  ARG  23          2HH1      ARG  23 -10.004  -0.544  -9.661
  217   1HH2  ARG  23          1HH2      ARG  23  -6.078   0.165  -9.523
  218   2HH2  ARG  23          2HH2      ARG  23  -6.999   0.659 -10.904
  219    H    ALA  24           H        ALA  24  -9.459  -4.752  -2.681
  220    HA   ALA  24           HA       ALA  24 -11.788  -6.150  -3.502
  221   1HB   ALA  24          1HB       ALA  24  -9.825  -6.323  -1.560
  222   2HB   ALA  24          3HB       ALA  24 -11.280  -6.034  -0.607
  223   3HB   ALA  24          2HB       ALA  24 -11.205  -7.414  -1.701
  224    H    PHE  25           HN       PHE  25 -13.832  -5.306  -3.627
  225    HA   PHE  25           HA       PHE  25 -14.838  -2.911  -2.738
  226   1HB   PHE  25          2HB       PHE  25 -16.029  -5.665  -3.019
  227   2HB   PHE  25          1HB       PHE  25 -17.039  -4.294  -2.563
  228    HD1  PHE  25           HD1      PHE  25 -16.879  -2.168  -4.056
  229    HD2  PHE  25           HD2      PHE  25 -15.548  -6.063  -5.282
  230    HE1  PHE  25           HE1      PHE  25 -16.996  -1.460  -6.430
  231    HE2  PHE  25           HE2      PHE  25 -15.665  -5.356  -7.657
  232    HZ   PHE  25           HZ       PHE  25 -16.389  -3.054  -8.230
   
  No H/Q in entry =         232
  Start of MODEL   20
    1   1H    PHE   1          3H        PHE   1 -12.722   2.517   2.017
    2   2H    PHE   1          2H        PHE   1 -11.361   3.526   1.891
    3   3H    PHE   1          1H        PHE   1 -12.644   3.683   0.789
    4    HA   PHE   1           HA       PHE   1 -12.171   1.544  -0.178
    5   1HB   PHE   1          2HB       PHE   1 -11.001   3.628  -0.895
    6   2HB   PHE   1          1HB       PHE   1  -9.701   3.262   0.240
    7    HD1  PHE   1           HD1      PHE   1  -8.660   0.844   0.025
    8    HD2  PHE   1           HD2      PHE   1 -10.839   2.844  -3.090
    9    HE1  PHE   1           HE1      PHE   1  -7.597  -0.629  -1.665
   10    HE2  PHE   1           HE2      PHE   1  -9.777   1.371  -4.779
   11    HZ   PHE   1           HZ       PHE   1  -8.156  -0.365  -4.066
   12    H    LYS   2           H        LYS   2 -11.010  -0.442  -0.075
   13    HA   LYS   2           HA       LYS   2  -9.227  -0.858   2.287
   14   1HB   LYS   2          2HB       LYS   2 -11.853  -1.496   2.357
   15   2HB   LYS   2          1HB       LYS   2 -11.220  -2.969   1.621
   16   1HG   LYS   2          2HG       LYS   2  -9.472  -2.235   3.758
   17   2HG   LYS   2          1HG       LYS   2 -11.126  -2.196   4.370
   18   1HD   LYS   2          2HD       LYS   2 -11.228  -4.488   2.935
   19   2HD   LYS   2          1HD       LYS   2  -9.525  -4.499   3.396
   20   1HE   LYS   2          2HE       LYS   2 -10.230  -4.123   5.786
   21   2HE   LYS   2          1HE       LYS   2 -11.913  -4.338   5.265
   22   1HZ   LYS   2          1HZ       LYS   2 -11.025  -6.437   4.127
   23   2HZ   LYS   2          3HZ       LYS   2  -9.690  -6.281   5.161
   24   3HZ   LYS   2          2HZ       LYS   2 -11.246  -6.483   5.811
   25    H    CYS   3           H        CYS   3  -7.346  -1.570   1.350
   26    HA   CYS   3           HA       CYS   3  -7.344  -2.987  -1.224
   27   1HB   CYS   3          2HB       CYS   3  -5.669  -1.265  -0.012
   28   2HB   CYS   3          1HB       CYS   3  -4.930  -2.778   0.504
   29    H    ARG   4           H        ARG   4  -5.168  -4.710  -0.727
   30    HA   ARG   4           HA       ARG   4  -5.999  -6.607   1.381
   31   1HB   ARG   4          2HB       ARG   4  -7.533  -7.322  -0.231
   32   2HB   ARG   4          1HB       ARG   4  -6.453  -6.936  -1.568
   33   1HG   ARG   4          2HG       ARG   4  -5.687  -9.083   0.393
   34   2HG   ARG   4          1HG       ARG   4  -6.823  -9.446  -0.908
   35   1HD   ARG   4          2HD       ARG   4  -4.785  -8.037  -2.198
   36   2HD   ARG   4          1HD       ARG   4  -3.926  -9.086  -1.053
   37    HE   ARG   4           HE       ARG   4  -6.117 -10.342  -2.597
   38   1HH1  ARG   4          1HH2      ARG   4  -4.702 -12.462  -1.804
   39   2HH1  ARG   4          2HH2      ARG   4  -3.344 -12.654  -2.862
   40   1HH2  ARG   4          2HH1      ARG   4  -3.518  -9.423  -4.107
   41   2HH2  ARG   4          1HH1      ARG   4  -2.673 -10.934  -4.165
   42    H    ARG   5           H        ARG   5  -3.805  -5.828  -1.307
   43    HA   ARG   5           HA       ARG   5  -1.691  -7.392   0.127
   44   1HB   ARG   5          2HB       ARG   5  -2.936  -7.873  -2.425
   45   2HB   ARG   5          1HB       ARG   5  -1.220  -7.539  -2.658
   46   1HG   ARG   5          2HG       ARG   5  -1.560  -9.248  -0.363
   47   2HG   ARG   5          1HG       ARG   5  -2.391  -9.953  -1.750
   48   1HD   ARG   5          2HD       ARG   5  -0.058  -9.133  -2.923
   49   2HD   ARG   5          1HD       ARG   5   0.508  -9.574  -1.300
   50    HE   ARG   5           HE       ARG   5  -1.352 -11.527  -2.400
   51   1HH1  ARG   5          2HH1      ARG   5   1.239 -10.811  -4.120
   52   2HH1  ARG   5          1HH1      ARG   5   2.214 -12.182  -3.703
   53   1HH2  ARG   5          1HH2      ARG   5   0.189 -13.150  -1.059
   54   2HH2  ARG   5          2HH2      ARG   5   1.619 -13.506  -1.970
   55    H    TRP   6           H        TRP   6  -1.109  -5.108   0.856
   56    HA   TRP   6           HA       TRP   6  -0.242  -3.117  -0.996
   57   1HB   TRP   6          2HB       TRP   6   0.450  -3.759   1.887
   58   2HB   TRP   6          1HB       TRP   6   0.881  -2.250   1.083
   59    HD1  TRP   6           HD1      TRP   6  -2.205  -4.277   2.062
   60    HE1  TRP   6           HE1      TRP   6  -4.198  -2.655   2.248
   61    HE3  TRP   6           HE3      TRP   6   0.035  -0.046   0.479
   62    HZ2  TRP   6           HZ2      TRP   6  -4.754   0.132   1.788
   63    HZ3  TRP   6           HZ3      TRP   6  -1.213   2.107   0.351
   64    HH2  TRP   6           HH2      TRP   6  -3.609   2.195   1.005
   65    H    GLN   7           H        GLN   7   1.207  -4.031  -2.558
   66    HA   GLN   7           HA       GLN   7   3.505  -5.645  -1.685
   67   1HB   GLN   7          2HB       GLN   7   2.540  -6.261  -3.747
   68   2HB   GLN   7          1HB       GLN   7   2.379  -4.588  -4.276
   69   1HG   GLN   7          2HG       GLN   7   4.724  -4.383  -4.673
   70   2HG   GLN   7          1HG       GLN   7   5.074  -5.877  -3.802
   71   1HE2  GLN   7          2HE2      GLN   7   5.207  -7.062  -7.223
   72   2HE2  GLN   7          1HE2      GLN   7   6.178  -6.328  -6.041
   73    H    TRP   8           H        TRP   8   5.028  -4.421  -0.561
   74    HA   TRP   8           HA       TRP   8   5.671  -1.741  -0.692
   75   1HB   TRP   8          2HB       TRP   8   7.190  -4.268  -0.223
   76   2HB   TRP   8          1HB       TRP   8   8.090  -2.751  -0.293
   77    HD1  TRP   8           HD1      TRP   8   6.017  -4.790   1.950
   78    HE1  TRP   8           HE1      TRP   8   5.470  -3.509   4.111
   79    HE3  TRP   8           HE3      TRP   8   7.481  -0.149   0.574
   80    HZ2  TRP   8           HZ2      TRP   8   5.642  -0.837   5.129
   81    HZ3  TRP   8           HZ3      TRP   8   7.292   1.770   2.139
   82    HH2  TRP   8           HH2      TRP   8   6.370   1.429   4.417
   83    H    ARG   9           H        ARG   9   5.786  -0.655  -2.669
   84    HA   ARG   9           HA       ARG   9   7.102  -1.824  -5.007
   85   1HB   ARG   9          2HB       ARG   9   5.901   0.856  -4.272
   86   2HB   ARG   9          1HB       ARG   9   6.643   0.567  -5.845
   87   1HG   ARG   9          2HG       ARG   9   5.095  -1.508  -5.967
   88   2HG   ARG   9          1HG       ARG   9   4.200  -0.741  -4.655
   89   1HD   ARG   9          2HD       ARG   9   3.549   1.080  -5.987
   90   2HD   ARG   9          1HD       ARG   9   4.877   0.832  -7.139
   91    HE   ARG   9           HE       ARG   9   3.597  -1.471  -7.515
   92   1HH1  ARG   9          2HH1      ARG   9   1.120  -1.690  -6.968
   93   2HH1  ARG   9          1HH1      ARG   9   0.170  -0.525  -7.827
   94   1HH2  ARG   9          1HH2      ARG   9   2.878   1.489  -8.626
   95   2HH2  ARG   9          2HH2      ARG   9   1.164   1.275  -8.765
   96    H    MET  10           H        MET  10   8.754  -0.070  -6.091
   97    HA   MET  10           HA       MET  10  10.855   0.362  -4.016
   98   1HB   MET  10          2HB       MET  10  11.755   0.627  -6.755
   99   2HB   MET  10          1HB       MET  10  12.282  -0.504  -5.524
  100   1HG   MET  10          2HG       MET  10   9.837  -0.879  -7.277
  101   2HG   MET  10          1HG       MET  10  11.391  -1.667  -7.523
  102   1HE   MET  10          3HE       MET  10   8.587  -2.578  -7.328
  103   2HE   MET  10          2HE       MET  10   9.313  -4.168  -7.105
  104   3HE   MET  10          1HE       MET  10   8.118  -3.582  -5.949
  105    H    LYS  11           H        LYS  11  11.596   2.401  -3.652
  106    HA   LYS  11           HA       LYS  11  10.795   4.582  -5.531
  107   1HB   LYS  11          2HB       LYS  11  10.468   5.873  -3.313
  108   2HB   LYS  11          1HB       LYS  11   9.224   4.712  -3.761
  109   1HG   LYS  11          2HG       LYS  11   9.727   3.330  -2.023
  110   2HG   LYS  11          1HG       LYS  11  11.464   3.586  -2.200
  111   1HD   LYS  11          2HD       LYS  11  11.428   5.025  -0.473
  112   2HD   LYS  11          1HD       LYS  11  10.304   6.055  -1.360
  113   1HE   LYS  11          2HE       LYS  11   8.652   4.014  -0.505
  114   2HE   LYS  11          1HE       LYS  11   9.766   4.206   0.864
  115   1HZ   LYS  11          2HZ       LYS  11   9.434   6.693   0.481
  116   2HZ   LYS  11          1HZ       LYS  11   8.065   6.254  -0.424
  117   3HZ   LYS  11          3HZ       LYS  11   8.162   5.843   1.220
  118    H    LYS  12           H        LYS  12  11.991   6.680  -4.228
  119    HA   LYS  12           HA       LYS  12  14.757   6.424  -4.869
  120   1HB   LYS  12          2HB       LYS  12  13.589   8.341  -2.846
  121   2HB   LYS  12          1HB       LYS  12  14.919   8.623  -3.966
  122   1HG   LYS  12          2HG       LYS  12  13.059   8.080  -5.783
  123   2HG   LYS  12          1HG       LYS  12  11.974   8.604  -4.494
  124   1HD   LYS  12          2HD       LYS  12  14.257  10.390  -4.743
  125   2HD   LYS  12          1HD       LYS  12  13.370  10.265  -6.262
  126   1HE   LYS  12          2HE       LYS  12  11.574  11.390  -5.427
  127   2HE   LYS  12          1HE       LYS  12  11.630  10.505  -3.890
  128   1HZ   LYS  12          2HZ       LYS  12  13.602  12.581  -4.678
  129   2HZ   LYS  12          1HZ       LYS  12  12.252  12.893  -3.694
  130   3HZ   LYS  12          3HZ       LYS  12  13.458  11.825  -3.164
  131    H    LEU  13           H        LEU  13  16.168   7.396  -2.710
  132    HA   LEU  13           HA       LEU  13  16.813   5.066  -1.228
  133   1HB   LEU  13          2HB       LEU  13  18.328   6.553  -0.086
  134   2HB   LEU  13          1HB       LEU  13  18.210   7.122  -1.751
  135    HG   LEU  13           HG       LEU  13  16.105   8.327  -0.212
  136   1HD1  LEU  13          3HD1      LEU  13  17.922   7.759   1.599
  137   2HD1  LEU  13          2HD1      LEU  13  18.807   9.095   0.861
  138   3HD1  LEU  13          1HD1      LEU  13  17.212   9.373   1.562
  139   1HD2  LEU  13          1HD2      LEU  13  17.504   9.027  -2.339
  140   2HD2  LEU  13          3HD2      LEU  13  16.882  10.267  -1.250
  141   3HD2  LEU  13          2HD2      LEU  13  18.571   9.768  -1.145
  142    H    GLY  14           H        GLY  14  16.716   4.975   1.238
  143   1HA   GLY  14          2HA       GLY  14  15.588   5.754   3.290
  144   2HA   GLY  14          1HA       GLY  14  14.220   6.232   2.286
  145    H    ALA  15           H        ALA  15  13.218   4.355   1.033
  146    HA   ALA  15           HA       ALA  15  13.539   1.643   1.982
  147   1HB   ALA  15          3HB       ALA  15  12.371   3.375   3.792
  148   2HB   ALA  15          2HB       ALA  15  10.971   2.629   3.021
  149   3HB   ALA  15          1HB       ALA  15  12.186   1.621   3.808
  150    HA   PRO  16           HA       PRO  16  10.659   0.765  -1.228
  151   1HB   PRO  16          2HB       PRO  16   8.915  -1.081  -0.167
  152   2HB   PRO  16          1HB       PRO  16  10.610  -1.450  -0.560
  153   1HG   PRO  16          2HG       PRO  16   9.357  -0.869   2.068
  154   2HG   PRO  16          1HG       PRO  16  10.651  -2.003   1.659
  155   1HD   PRO  16          2HD       PRO  16  11.055   0.444   2.829
  156   2HD   PRO  16          1HD       PRO  16  12.275  -0.418   1.868
  157    H    SER  17           H        SER  17   8.129   0.583  -1.708
  158    HA   SER  17           HA       SER  17   6.638   2.546  -0.001
  159   1HB   SER  17          2HB       SER  17   7.748   2.967  -2.554
  160   2HB   SER  17          1HB       SER  17   6.026   2.731  -2.838
  161    HG   SER  17           HG       SER  17   6.242   4.855  -2.356
  162    H    ILE  18           H        ILE  18   5.235   0.940   0.859
  163    HA   ILE  18           HA       ILE  18   4.002  -1.094  -0.818
  164    HB   ILE  18           HB       ILE  18   4.516  -0.711   1.856
  165   1HG1  ILE  18          2HG1      ILE  18   2.471  -2.594   0.654
  166   2HG1  ILE  18          1HG1      ILE  18   4.213  -2.854   0.656
  167   1HG2  ILE  18          1HG2      ILE  18   2.541   0.804   2.053
  168   2HG2  ILE  18          3HG2      ILE  18   1.511  -0.528   1.529
  169   3HG2  ILE  18          2HG2      ILE  18   2.400  -0.646   3.048
  170   1HD1  ILE  18          2HD1      ILE  18   3.749  -2.336   3.302
  171   2HD1  ILE  18          1HD1      ILE  18   2.260  -3.166   2.847
  172   3HD1  ILE  18          3HD1      ILE  18   3.819  -3.956   2.607
  173    H    THR  19           H        THR  19   2.465  -0.584  -2.288
  174    HA   THR  19           HA       THR  19   0.620   1.703  -1.728
  175    HB   THR  19           HB       THR  19   1.990   1.802  -3.772
  176    HG1  THR  19           HG1      THR  19   0.343   2.467  -4.908
  177   1HG2  THR  19          3HG2      THR  19   1.455  -0.988  -3.816
  178   2HG2  THR  19          2HG2      THR  19   0.763  -0.302  -5.286
  179   3HG2  THR  19          1HG2      THR  19   2.472  -0.065  -4.922
  180    H    CYS  20           H        CYS  20  -1.387   0.878  -3.576
  181    HA   CYS  20           HA       CYS  20  -2.564  -1.425  -2.066
  182   1HB   CYS  20          2HB       CYS  20  -3.731   0.738  -1.949
  183   2HB   CYS  20          1HB       CYS  20  -3.790   0.817  -3.710
  184    H    VAL  21           H        VAL  21  -2.531  -3.341  -3.206
  185    HA   VAL  21           HA       VAL  21  -2.624  -3.177  -6.189
  186    HB   VAL  21           HB       VAL  21  -1.181  -5.034  -6.240
  187   1HG1  VAL  21          2HG1      VAL  21  -0.569  -3.597  -3.643
  188   2HG1  VAL  21          1HG1      VAL  21   0.544  -4.690  -4.461
  189   3HG1  VAL  21          3HG1      VAL  21   0.048  -3.190  -5.244
  190   1HG2  VAL  21          2HG2      VAL  21  -2.258  -5.658  -3.481
  191   2HG2  VAL  21          1HG2      VAL  21  -2.437  -6.613  -4.952
  192   3HG2  VAL  21          3HG2      VAL  21  -0.863  -6.489  -4.166
  193    H    ARG  22           H        ARG  22  -4.866  -3.163  -4.293
  194    HA   ARG  22           HA       ARG  22  -6.520  -5.192  -5.614
  195   1HB   ARG  22          2HB       ARG  22  -5.196  -5.689  -3.107
  196   2HB   ARG  22          1HB       ARG  22  -6.939  -5.647  -2.838
  197   1HG   ARG  22          2HG       ARG  22  -5.528  -7.307  -4.949
  198   2HG   ARG  22          1HG       ARG  22  -6.185  -7.923  -3.433
  199   1HD   ARG  22          2HD       ARG  22  -8.425  -7.507  -4.098
  200   2HD   ARG  22          1HD       ARG  22  -7.919  -6.424  -5.410
  201    HE   ARG  22           HE       ARG  22  -6.792  -9.094  -5.681
  202   1HH1  ARG  22          1HH2      ARG  22  -8.475  -6.760  -7.289
  203   2HH1  ARG  22          2HH2      ARG  22  -9.534  -7.825  -8.149
  204   1HH2  ARG  22          2HH1      ARG  22  -8.619 -10.632  -6.332
  205   2HH2  ARG  22          1HH1      ARG  22  -9.617 -10.017  -7.607
  206    H    ARG  23           H        ARG  23  -8.501  -4.207  -5.885
  207    HA   ARG  23           HA       ARG  23  -9.191  -1.941  -4.072
  208   1HB   ARG  23          2HB       ARG  23 -10.206  -2.781  -6.810
  209   2HB   ARG  23          1HB       ARG  23 -10.624  -1.289  -5.974
  210   1HG   ARG  23          2HG       ARG  23  -8.174  -0.712  -5.924
  211   2HG   ARG  23          1HG       ARG  23  -7.882  -2.117  -6.948
  212   1HD   ARG  23          2HD       ARG  23  -9.394  -1.175  -8.674
  213   2HD   ARG  23          1HD       ARG  23  -9.655   0.251  -7.651
  214    HE   ARG  23           HE       ARG  23  -7.196   0.685  -7.816
  215   1HH1  ARG  23          1HH2      ARG  23  -8.983  -0.383 -10.437
  216   2HH1  ARG  23          2HH2      ARG  23  -7.624  -0.754 -11.444
  217   1HH2  ARG  23          2HH1      ARG  23  -5.290  -0.287  -8.922
  218   2HH2  ARG  23          1HH1      ARG  23  -5.533  -0.700 -10.587
  219    H    ALA  24           H        ALA  24  -9.670  -4.284  -2.799
  220    HA   ALA  24           HA       ALA  24 -12.234  -5.500  -3.381
  221   1HB   ALA  24          1HB       ALA  24 -10.001  -5.900  -1.717
  222   2HB   ALA  24          3HB       ALA  24 -11.357  -5.662  -0.616
  223   3HB   ALA  24          2HB       ALA  24 -11.423  -6.936  -1.832
  224    H    PHE  25           HN       PHE  25 -14.249  -4.776  -2.788
  225    HA   PHE  25           HA       PHE  25 -14.939  -2.247  -1.973
  226   1HB   PHE  25          2HB       PHE  25 -16.113  -4.972  -1.667
  227   2HB   PHE  25          1HB       PHE  25 -16.894  -3.658  -0.788
  228    HD1  PHE  25           HD1      PHE  25 -15.975  -4.934  -4.131
  229    HD2  PHE  25           HD2      PHE  25 -18.028  -1.856  -1.949
  230    HE1  PHE  25           HE1      PHE  25 -17.068  -4.179  -6.225
  231    HE2  PHE  25           HE2      PHE  25 -19.122  -1.101  -4.043
  232    HZ   PHE  25           HZ       PHE  25 -18.642  -2.263  -6.181
    
  No H/Q in entry =         232