*HEADER    METAL BINDING PROTEIN                   18-JUN-18   6A3Z              
*TITLE     ZINC FINGER DOMAIN FROM THE HRD1 PROTEIN                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE SYNOVIOLIN;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN;                                        
*COMPND   5 SYNONYM: RING-TYPE E3 UBIQUITIN TRANSFERASE SYNOVIOLIN,SYNOVIAL      
*COMPND   6 APOPTOSIS INHIBITOR 1;                                               
*COMPND   7 EC: 2.3.2.27;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    HRD1, METAL BINDING PROTEIN                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.MIYAMOTO                                                            
*REVDAT   1   19-JUN-19 6A3Z    0                                                
# Restraints file 1: hrd1.upl
 32 ILE  HA     32 ILE  QD1     3.7     
 26 ARG  HA     32 ILE  QD1     3.8       
  1 ALA  HA     32 ILE  QD1     4.5    
  6 LEU  HA     32 ILE  QD1     3.8    
 14 ILE  HA     14 ILE  QD1     3.1    
 42 PHE  HA     42 PHE  QE      4.4      
  21 VAL  HA     22 THR  QG2    4.8        
  2 THR  HA      3 PRO  HG2     4.5       
 44 ARG  HA     44 ARG  QG      3.5         
 38 LEU  HA     41 TRP  HB3     3.6         
  6 LEU  HA      6 LEU  QD2     3.1 
 10 ASP  HA     11 ASN  HN      3.3     
  8 ALA  HA     10 ASP  HN      4.3         
 54 ASP  HA     55 VAL  QG1     4.3           
 50 THR  HA     50 THR  QG2     3.3         
  2 THR  HA      3 PRO  QD      3.1         
 12 VAL  HA     13 CYSS HB3     4.6    
  14 ILE  HA     17 ARG  HG3    4.9     
 54 ASP  HA     56 LEU  HN      4.1           
  11 ASN  HA     20 MET  HN     4.7           
 19 GLU  HA     20 MET  HN      2.6            
 47 THR  HA     48 CYSS HN      3.1          
  24 ALA  HA     35 THR  HN     3.1           
   5 GLU  HA      8 ALA  HN     4.3            
  24 ALA  HA     25 LYS  HN     2.8       
 40 SER  HA     42 PHE  HN      5.0          
 29 CYSS HA     30 ASN  HN      3.6          
  30 ASN  HA     30 ASN  HD22   4.3           
 38 LEU  HA     40 SER  HN      4.6          
 11 ASN  HA     11 ASN  HD21    4.2            
  11 ASN  HA     11 ASN  HD22   5.0   
 13 CYSS HA     16 CYSS HN      5.0          
  26 ARG  HA     27 LEU  HN     3.2           
  34 HIST HA     37 CYSS HN     4.3          
 32 ILE  HA     32 ILE  QG2     3.5           
   5 GLU  HA     32 ILE  QD1    5.2        
 20 MET  HA     21 VAL  HN      3.3           
 13 CYSS HA     15 ILE  HN      4.2          
  29 CYSS HA     31 HIST HN     5.4       
 30 ASN  HA     31 HIST HN      3.5           
  47 THR  HA     53 MET  HN     4.2         
 12 VAL  HA     18 GLU  HN      5.1     
 14 ILE  HA     18 GLU  HN      5.3         
 22 THR  HA     23 GLY  QA      4.6       
 27 LEU  HA     28 PRO  QG      4.5    
 28 PRO  HA     30 ASN  HN      4.2        
 33 PHE  HA     33 PHE  QD      4.2        
 39 ARG  HA     42 PHE  QD      4.7         
 42 PHE  HA     47 THR  HN      5.4       
 32 ILE  HA     33 PHE  HN      2.7          
 14 ILE  HA     17 ARG  HN      3.9          
 33 PHE  HA     34 HIST HN      3.1         
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HN       ALA   1  -4.290  -3.523   0.800
    2    HA   ALA   1           HA       ALA   1  -5.792  -1.779  -0.088
    3    HB1  ALA   1          1HB       ALA   1  -5.569  -2.809  -2.625
    4    HB2  ALA   1          2HB       ALA   1  -4.338  -1.870  -1.780
    5    HB3  ALA   1          3HB       ALA   1  -4.278  -3.632  -1.750
    6    H    THR   2           HN       THR   2  -7.463  -1.526  -1.922
    7    HA   THR   2           HA       THR   2  -9.609  -3.493  -1.468
    8    HB   THR   2           HB       THR   2 -11.018  -1.406  -2.339
    9    HG1  THR   2          1HG       THR   2  -9.970   0.467  -1.198
   10   HG21  THR   2          1HG2      THR   2 -11.561  -0.903  -0.062
   11   HG22  THR   2          2HG2      THR   2 -10.010  -1.523   0.503
   12   HG23  THR   2          3HG2      THR   2 -11.214  -2.629  -0.159
   13    HA   PRO   3           HA       PRO   3  -9.890  -4.376  -5.758
   14    HB2  PRO   3          2HB       PRO   3 -12.571  -4.590  -6.131
   15    HB3  PRO   3          3HB       PRO   3 -11.624  -5.797  -5.254
   16    HG2  PRO   3          2HG       PRO   3 -13.311  -3.568  -4.182
   17    HG3  PRO   3          3HG       PRO   3 -13.190  -5.248  -3.625
   18    HD2  PRO   3          2HD       PRO   3 -11.910  -3.205  -2.389
   19    HD3  PRO   3          3HD       PRO   3 -11.244  -4.850  -2.454
   20    H    GLU   4           HN       GLU   4 -11.709  -1.648  -4.537
   21    HA   GLU   4           HA       GLU   4 -12.343  -0.580  -7.125
   22    HB2  GLU   4          2HB       GLU   4 -13.734  -0.129  -5.131
   23    HB3  GLU   4          3HB       GLU   4 -12.398   0.767  -4.419
   24    HG2  GLU   4          2HG       GLU   4 -12.509   2.238  -6.501
   25    HG3  GLU   4          3HG       GLU   4 -14.073   1.483  -6.797
   26    H    GLU   5           HN       GLU   5  -9.871  -0.013  -4.675
   27    HA   GLU   5           HA       GLU   5  -8.711   2.228  -6.023
   28    HB2  GLU   5          2HB       GLU   5  -7.777   0.469  -3.762
   29    HB3  GLU   5          3HB       GLU   5  -6.786   1.766  -4.412
   30    HG2  GLU   5          2HG       GLU   5  -9.574   2.280  -3.454
   31    HG3  GLU   5          3HG       GLU   5  -8.212   2.233  -2.336
   32    H    LEU   6           HN       LEU   6  -8.074  -1.233  -5.900
   33    HA   LEU   6           HA       LEU   6  -5.612  -1.193  -7.280
   34    HB2  LEU   6          2HB       LEU   6  -7.679  -3.258  -6.695
   35    HB3  LEU   6          3HB       LEU   6  -6.421  -3.620  -7.876
   36    HG   LEU   6           HG       LEU   6  -5.787  -2.723  -5.075
   37   HD11  LEU   6          1HD1      LEU   6  -7.155  -4.734  -4.921
   38   HD12  LEU   6          2HD1      LEU   6  -5.476  -5.077  -4.504
   39   HD13  LEU   6          3HD1      LEU   6  -6.106  -5.548  -6.082
   40   HD21  LEU   6          1HD2      LEU   6  -3.796  -4.366  -5.943
   41   HD22  LEU   6          2HD2      LEU   6  -3.774  -2.605  -6.056
   42   HD23  LEU   6          3HD2      LEU   6  -4.281  -3.572  -7.442
   43    H    GLN   7           HN       GLN   7  -8.959  -1.520  -8.377
   44    HA   GLN   7           HA       GLN   7  -8.298  -1.954 -11.111
   45    HB2  GLN   7          2HB       GLN   7 -10.683  -1.781  -9.510
   46    HB3  GLN   7          3HB       GLN   7 -10.875  -0.819 -10.968
   47    HG2  GLN   7          2HG       GLN   7  -9.689  -3.355 -11.600
   48    HG3  GLN   7          3HG       GLN   7 -11.182  -3.579 -10.689
   49   HE21  GLN   7          1HE2      GLN   7 -10.947  -4.406 -13.300
   50   HE22  GLN   7          2HE2      GLN   7 -11.961  -3.433 -14.304
   51    H    ALA   8           HN       ALA   8  -8.420   0.825  -9.123
   52    HA   ALA   8           HA       ALA   8  -8.859   2.704 -11.273
   53    HB1  ALA   8          1HB       ALA   8  -7.745   3.648  -8.704
   54    HB2  ALA   8          2HB       ALA   8  -9.077   4.285  -9.669
   55    HB3  ALA   8          3HB       ALA   8  -9.328   2.873  -8.642
   56    H    MET   9           HN       MET   9  -6.374   0.772 -10.736
   57    HA   MET   9           HA       MET   9  -4.481   2.607 -11.953
   58    HB2  MET   9          2HB       MET   9  -2.692   2.072 -10.347
   59    HB3  MET   9          3HB       MET   9  -4.026   2.926  -9.583
   60    HG2  MET   9          2HG       MET   9  -4.557   1.192  -8.258
   61    HG3  MET   9          3HG       MET   9  -4.193  -0.006  -9.498
   62    HE1  MET   9          1HE       MET   9  -1.112   0.357 -10.270
   63    HE2  MET   9          2HE       MET   9  -0.535  -0.825  -9.096
   64    HE3  MET   9          3HE       MET   9  -2.066  -1.087  -9.932
   65    H    ASP  10           HN       ASP  10  -5.923   0.278 -12.846
   66    HA   ASP  10           HA       ASP  10  -5.578  -1.594 -14.090
   67    HB2  ASP  10          2HB       ASP  10  -2.672  -0.760 -13.945
   68    HB3  ASP  10          3HB       ASP  10  -3.344  -1.945 -15.061
   69    H    ASN  11           HN       ASN  11  -4.874  -1.356 -11.002
   70    HA   ASN  11           HA       ASN  11  -3.974  -2.716  -9.361
   71    HB2  ASN  11          2HB       ASN  11  -5.270  -4.679  -9.126
   72    HB3  ASN  11          3HB       ASN  11  -6.298  -3.560 -10.016
   73   HD21  ASN  11          1HD2      ASN  11  -4.670  -6.561 -10.045
   74   HD22  ASN  11          2HD2      ASN  11  -5.170  -7.076 -11.618
   75    H    VAL  12           HN       VAL  12  -2.125  -2.428 -11.496
   76    HA   VAL  12           HA       VAL  12  -0.878  -5.100 -11.525
   77    HB   VAL  12           HB       VAL  12  -0.991  -2.970 -13.616
   78   HG11  VAL  12          1HG1      VAL  12   1.299  -4.857 -13.152
   79   HG12  VAL  12          2HG1      VAL  12   0.930  -4.204 -14.749
   80   HG13  VAL  12          3HG1      VAL  12   1.345  -3.116 -13.423
   81   HG21  VAL  12          1HG2      VAL  12  -0.787  -5.614 -14.623
   82   HG22  VAL  12          2HG2      VAL  12  -1.935  -5.630 -13.284
   83   HG23  VAL  12          3HG2      VAL  12  -2.183  -4.536 -14.644
   84    H    CYS  13           HN       CYS  13   1.016  -5.296 -10.524
   85    HA   CYS  13           HA       CYS  13   2.183  -3.115  -9.134
   86    HB2  CYS  13          2HB       CYS  13   2.321  -5.371  -8.244
   87    HB3  CYS  13          3HB       CYS  13   3.223  -5.906  -9.658
   88    H    ILE  14           HN       ILE  14   3.400  -1.573  -9.984
   89    HA   ILE  14           HA       ILE  14   4.500  -1.691 -12.585
   90    HB   ILE  14           HB       ILE  14   3.871   0.382 -11.157
   91   HG12  ILE  14          2HG1      ILE  14   4.683   0.598 -13.413
   92   HG13  ILE  14          3HG1      ILE  14   5.544   1.763 -12.413
   93   HG21  ILE  14          1HG2      ILE  14   6.751   0.019 -10.340
   94   HG22  ILE  14          2HG2      ILE  14   5.747   1.427 -10.001
   95   HG23  ILE  14          3HG2      ILE  14   5.350  -0.132  -9.279
   96   HD11  ILE  14          1HD1      ILE  14   7.283   0.926 -13.597
   97   HD12  ILE  14          2HD1      ILE  14   7.284  -0.222 -12.257
   98   HD13  ILE  14          3HD1      ILE  14   6.536  -0.659 -13.793
   99    H    ILE  15           HN       ILE  15   5.982  -1.923  -9.364
  100    HA   ILE  15           HA       ILE  15   8.610  -1.964  -9.772
  101    HB   ILE  15           HB       ILE  15   7.137  -4.130  -8.267
  102   HG12  ILE  15          2HG1      ILE  15   8.463  -1.801  -6.957
  103   HG13  ILE  15          3HG1      ILE  15   6.917  -1.530  -7.753
  104   HG21  ILE  15          1HG2      ILE  15   9.475  -3.829  -6.960
  105   HG22  ILE  15          2HG2      ILE  15   9.195  -5.045  -8.205
  106   HG23  ILE  15          3HG2      ILE  15   9.997  -3.530  -8.618
  107   HD11  ILE  15          1HD1      ILE  15   6.319  -1.986  -5.571
  108   HD12  ILE  15          2HD1      ILE  15   6.115  -3.548  -6.364
  109   HD13  ILE  15          3HD1      ILE  15   7.549  -3.236  -5.387
  110    H    CYS  16           HN       CYS  16   6.532  -4.758 -10.518
  111    HA   CYS  16           HA       CYS  16   8.691  -5.786 -12.241
  112    HB2  CYS  16          2HB       CYS  16   7.694  -8.030 -11.898
  113    HB3  CYS  16          3HB       CYS  16   8.253  -7.302 -10.396
  114    H    ARG  17           HN       ARG  17   5.781  -4.257 -12.313
  115    HA   ARG  17           HA       ARG  17   4.102  -4.010 -13.838
  116    HB2  ARG  17          2HB       ARG  17   6.527  -4.589 -15.507
  117    HB3  ARG  17          3HB       ARG  17   4.964  -4.343 -16.274
  118    HG2  ARG  17          2HG       ARG  17   5.032  -2.192 -14.663
  119    HG3  ARG  17          3HG       ARG  17   6.757  -2.413 -14.963
  120    HD2  ARG  17          2HD       ARG  17   4.902  -2.551 -17.281
  121    HD3  ARG  17          3HD       ARG  17   5.226  -0.970 -16.573
  122    HE   ARG  17           HE       ARG  17   7.051  -2.601 -18.094
  123   HH11  ARG  17          1HH1      ARG  17   6.726  -0.002 -15.801
  124   HH12  ARG  17          2HH1      ARG  17   8.265   0.697 -16.179
  125   HH21  ARG  17          1HH2      ARG  17   9.078  -1.689 -18.602
  126   HH22  ARG  17          2HH2      ARG  17   9.602  -0.262 -17.772
  127    H    GLU  18           HN       GLU  18   3.402  -6.152 -12.693
  128    HA   GLU  18           HA       GLU  18   2.961  -8.168 -14.797
  129    HB2  GLU  18          2HB       GLU  18   3.426  -8.546 -11.843
  130    HB3  GLU  18          3HB       GLU  18   2.720  -9.800 -12.853
  131    HG2  GLU  18          2HG       GLU  18   5.402  -8.539 -13.366
  132    HG3  GLU  18          3HG       GLU  18   5.164 -10.033 -12.461
  133    H    GLU  19           HN       GLU  19   1.516  -8.341 -11.639
  134    HA   GLU  19           HA       GLU  19  -0.892  -6.971 -12.229
  135    HB2  GLU  19          2HB       GLU  19  -0.737  -9.410 -13.511
  136    HB3  GLU  19          3HB       GLU  19  -1.621  -9.799 -12.041
  137    HG2  GLU  19          2HG       GLU  19  -3.043  -7.713 -12.675
  138    HG3  GLU  19          3HG       GLU  19  -2.382  -7.992 -14.284
  139    H    MET  20           HN       MET  20  -2.376  -7.002 -10.490
  140    HA   MET  20           HA       MET  20  -1.451  -8.405  -8.076
  141    HB2  MET  20          2HB       MET  20  -2.064  -5.497  -8.441
  142    HB3  MET  20          3HB       MET  20  -2.361  -6.255  -6.882
  143    HG2  MET  20          2HG       MET  20  -0.057  -6.860  -6.666
  144    HG3  MET  20          3HG       MET  20   0.285  -6.318  -8.307
  145    HE1  MET  20          1HE       MET  20   0.067  -2.641  -8.304
  146    HE2  MET  20          2HE       MET  20  -0.693  -4.062  -9.020
  147    HE3  MET  20          3HE       MET  20  -1.572  -3.095  -7.835
  148    H    VAL  21           HN       VAL  21  -3.020  -9.920  -7.927
  149    HA   VAL  21           HA       VAL  21  -5.820  -9.080  -8.160
  150    HB   VAL  21           HB       VAL  21  -6.178 -11.648  -7.940
  151   HG11  VAL  21          1HG1      VAL  21  -5.342 -11.783 -10.475
  152   HG12  VAL  21          2HG1      VAL  21  -6.794 -10.903  -9.993
  153   HG13  VAL  21          3HG1      VAL  21  -5.280 -10.034 -10.254
  154   HG21  VAL  21          1HG2      VAL  21  -3.737 -11.961  -7.289
  155   HG22  VAL  21          2HG2      VAL  21  -4.383 -13.056  -8.511
  156   HG23  VAL  21          3HG2      VAL  21  -3.363 -11.700  -8.992
  157    H    THR  22           HN       THR  22  -3.462 -10.265  -5.893
  158    HA   THR  22           HA       THR  22  -4.953  -9.466  -3.644
  159    HB   THR  22           HB       THR  22  -6.326 -11.434  -4.128
  160    HG1  THR  22          1HG       THR  22  -6.364 -11.363  -2.005
  161   HG21  THR  22          1HG2      THR  22  -4.354 -13.444  -3.420
  162   HG22  THR  22          2HG2      THR  22  -3.938 -12.604  -4.914
  163   HG23  THR  22          3HG2      THR  22  -5.497 -13.412  -4.761
  164    H    GLY  23           HN       GLY  23  -3.667  -9.330  -1.861
  165    HA2  GLY  23          1HA       GLY  23  -1.873 -10.033  -0.459
  166    HA3  GLY  23          2HA       GLY  23  -1.148 -10.837  -1.843
  167    H    ALA  24           HN       ALA  24  -2.296  -7.508  -1.314
  168    HA   ALA  24           HA       ALA  24   0.430  -6.515  -1.569
  169    HB1  ALA  24          1HB       ALA  24  -0.647  -6.728  -3.883
  170    HB2  ALA  24          2HB       ALA  24  -1.662  -5.372  -3.390
  171    HB3  ALA  24          3HB       ALA  24   0.090  -5.183  -3.457
  172    H    LYS  25           HN       LYS  25   0.530  -4.132  -1.205
  173    HA   LYS  25           HA       LYS  25  -1.579  -3.309   0.679
  174    HB2  LYS  25          2HB       LYS  25   1.167  -2.119   0.713
  175    HB3  LYS  25          3HB       LYS  25   0.011  -2.284   2.026
  176    HG2  LYS  25          2HG       LYS  25   1.396  -4.637   0.771
  177    HG3  LYS  25          3HG       LYS  25   2.055  -3.750   2.148
  178    HD2  LYS  25          2HD       LYS  25  -0.673  -4.349   2.692
  179    HD3  LYS  25          3HD       LYS  25   0.120  -5.828   2.144
  180    HE2  LYS  25          2HE       LYS  25   0.591  -5.930   4.379
  181    HE3  LYS  25          3HE       LYS  25   1.999  -5.031   3.812
  182    HZ1  LYS  25          1HZ       LYS  25   0.930  -4.073   5.809
  183    HZ2  LYS  25          2HZ       LYS  25  -0.457  -3.763   4.893
  184    HZ3  LYS  25          3HZ       LYS  25   1.000  -2.994   4.507
  185    H    ARG  26           HN       ARG  26  -1.281  -0.730   0.992
  186    HA   ARG  26           HA       ARG  26  -1.242   0.475  -1.692
  187    HB2  ARG  26          2HB       ARG  26  -3.568   0.142  -1.083
  188    HB3  ARG  26          3HB       ARG  26  -3.306   0.924   0.469
  189    HG2  ARG  26          2HG       ARG  26  -3.009   3.042  -0.544
  190    HG3  ARG  26          3HG       ARG  26  -2.906   2.330  -2.155
  191    HD2  ARG  26          2HD       ARG  26  -5.081   3.350  -1.824
  192    HD3  ARG  26          3HD       ARG  26  -5.243   1.601  -1.967
  193    HE   ARG  26           HE       ARG  26  -6.061   1.546   0.165
  194   HH11  ARG  26          1HH1      ARG  26  -4.426   4.578  -0.337
  195   HH12  ARG  26          2HH1      ARG  26  -4.922   5.247   1.182
  196   HH21  ARG  26          1HH2      ARG  26  -6.722   2.415   2.168
  197   HH22  ARG  26          2HH2      ARG  26  -6.228   4.015   2.606
  198    H    LEU  27           HN       LEU  27  -0.082   2.291  -1.846
  199    HA   LEU  27           HA       LEU  27   1.233   3.309   0.523
  200    HB2  LEU  27          2HB       LEU  27   1.458   4.081  -2.382
  201    HB3  LEU  27          3HB       LEU  27   2.448   4.751  -1.087
  202    HG   LEU  27           HG       LEU  27   2.413   1.846  -1.907
  203   HD11  LEU  27          1HD1      LEU  27   4.236   2.196  -3.232
  204   HD12  LEU  27          2HD1      LEU  27   4.744   3.635  -2.349
  205   HD13  LEU  27          3HD1      LEU  27   3.392   3.726  -3.478
  206   HD21  LEU  27          1HD2      LEU  27   3.672   3.367   0.282
  207   HD22  LEU  27          2HD2      LEU  27   4.719   2.232  -0.570
  208   HD23  LEU  27          3HD2      LEU  27   3.232   1.662   0.187
  209    HA   PRO  28           HA       PRO  28  -1.335   6.796   1.251
  210    HB2  PRO  28          2HB       PRO  28   0.484   8.584   2.184
  211    HB3  PRO  28          3HB       PRO  28  -0.059   7.187   3.122
  212    HG2  PRO  28          2HG       PRO  28   2.438   7.529   1.507
  213    HG3  PRO  28          3HG       PRO  28   2.235   6.802   3.111
  214    HD2  PRO  28          2HD       PRO  28   2.469   5.319   0.858
  215    HD3  PRO  28          3HD       PRO  28   1.492   4.799   2.247
  216    H    CYS  29           HN       CYS  29   0.766   6.652  -1.280
  217    HA   CYS  29           HA       CYS  29   0.275   9.426  -2.124
  218    HB2  CYS  29          2HB       CYS  29   2.015   8.829  -3.913
  219    HB3  CYS  29          3HB       CYS  29   2.588   9.006  -2.259
  220    H    ASN  30           HN       ASN  30  -1.095   6.481  -2.406
  221    HA   ASN  30           HA       ASN  30  -2.857   5.828  -3.734
  222    HB2  ASN  30          2HB       ASN  30  -2.798   8.423  -4.377
  223    HB3  ASN  30          3HB       ASN  30  -2.237   7.762  -5.910
  224   HD21  ASN  30          1HD2      ASN  30  -4.759   9.110  -5.089
  225   HD22  ASN  30          2HD2      ASN  30  -6.019   8.042  -5.595
  226    H    HIS  31           HN       HIS  31  -0.519   4.491  -3.761
  227    HA   HIS  31           HA       HIS  31  -0.449   3.460  -6.481
  228    HB2  HIS  31          2HB       HIS  31   2.065   4.320  -5.032
  229    HB3  HIS  31          3HB       HIS  31   2.010   3.470  -6.574
  230    HD2  HIS  31          2HD       HIS  31   0.046   5.245  -8.320
  231    HE1  HIS  31          1HE       HIS  31   2.312   8.590  -7.025
  232    HE2  HIS  31          2HE       HIS  31   0.602   7.747  -8.670
  233    H    ILE  32           HN       ILE  32  -1.010   1.411  -6.140
  234    HA   ILE  32           HA       ILE  32  -0.064   0.018  -3.754
  235    HB   ILE  32           HB       ILE  32  -2.111  -0.733  -5.837
  236   HG12  ILE  32          2HG1      ILE  32  -2.799  -0.625  -2.973
  237   HG13  ILE  32          3HG1      ILE  32  -2.352   0.922  -3.682
  238   HG21  ILE  32          1HG2      ILE  32  -2.364  -2.505  -3.727
  239   HG22  ILE  32          2HG2      ILE  32  -1.705  -2.860  -5.323
  240   HG23  ILE  32          3HG2      ILE  32  -0.625  -2.411  -4.002
  241   HD11  ILE  32          1HD1      ILE  32  -4.045   0.383  -5.502
  242   HD12  ILE  32          2HD1      ILE  32  -4.616  -0.891  -4.424
  243   HD13  ILE  32          3HD1      ILE  32  -4.670   0.793  -3.905
  244    H    PHE  33           HN       PHE  33   1.249  -1.756  -3.786
  245    HA   PHE  33           HA       PHE  33   2.072  -2.915  -6.319
  246    HB2  PHE  33          2HB       PHE  33   4.125  -1.726  -4.444
  247    HB3  PHE  33          3HB       PHE  33   4.439  -2.528  -5.979
  248    HD1  PHE  33          1HD       PHE  33   3.496  -1.449  -8.090
  249    HD2  PHE  33          2HD       PHE  33   3.787   0.570  -4.355
  250    HE1  PHE  33          1HE       PHE  33   3.347   0.715  -9.252
  251    HE2  PHE  33          2HE       PHE  33   3.638   2.737  -5.510
  252    HZ   PHE  33           HZ       PHE  33   3.417   2.811  -7.961
  253    H    HIS  34           HN       HIS  34   3.211  -4.913  -6.085
  254    HA   HIS  34           HA       HIS  34   2.237  -6.701  -4.299
  255    HB2  HIS  34          2HB       HIS  34   4.936  -6.634  -5.642
  256    HB3  HIS  34          3HB       HIS  34   4.403  -8.007  -4.675
  257    HD2  HIS  34          2HD       HIS  34   1.327  -8.206  -5.859
  258    HE1  HIS  34          1HE       HIS  34   3.286  -8.650  -9.595
  259    HE2  HIS  34          2HE       HIS  34   1.112  -8.886  -8.345
  260    H    THR  35           HN       THR  35   2.611  -7.359  -2.245
  261    HA   THR  35           HA       THR  35   3.868  -5.583  -0.442
  262    HB   THR  35           HB       THR  35   3.002  -8.446   0.011
  263    HG1  THR  35          1HG       THR  35   1.087  -7.523   0.716
  264   HG21  THR  35          1HG2      THR  35   2.767  -7.155   2.403
  265   HG22  THR  35          2HG2      THR  35   4.235  -6.428   1.750
  266   HG23  THR  35          3HG2      THR  35   4.128  -8.177   1.942
  267    H    SER  36           HN       SER  36   5.081  -8.131  -2.361
  268    HA   SER  36           HA       SER  36   7.421  -8.544  -0.666
  269    HB2  SER  36          2HB       SER  36   6.173  -9.986  -2.935
  270    HB3  SER  36          3HB       SER  36   7.932 -10.066  -2.835
  271    HG   SER  36           HG       SER  36   7.232 -11.722  -1.597
  272    H    CYS  37           HN       CYS  37   6.476  -7.047  -3.679
  273    HA   CYS  37           HA       CYS  37   9.138  -6.561  -4.607
  274    HB2  CYS  37          2HB       CYS  37   6.473  -5.376  -5.401
  275    HB3  CYS  37          3HB       CYS  37   7.989  -5.003  -6.212
  276    H    LEU  38           HN       LEU  38   6.843  -4.852  -2.606
  277    HA   LEU  38           HA       LEU  38   8.144  -2.322  -2.691
  278    HB2  LEU  38          2HB       LEU  38   6.112  -3.570  -0.876
  279    HB3  LEU  38          3HB       LEU  38   6.804  -1.991  -0.515
  280    HG   LEU  38           HG       LEU  38   5.180  -2.727  -2.948
  281   HD11  LEU  38          1HD1      LEU  38   3.841  -2.504  -0.936
  282   HD12  LEU  38          2HD1      LEU  38   3.561  -1.139  -2.017
  283   HD13  LEU  38          3HD1      LEU  38   4.584  -0.940  -0.593
  284   HD21  LEU  38          1HD2      LEU  38   5.289  -0.184  -3.270
  285   HD22  LEU  38          2HD2      LEU  38   6.697  -1.138  -3.734
  286   HD23  LEU  38          3HD2      LEU  38   6.698  -0.248  -2.211
  287    H    ARG  39           HN       ARG  39   7.851  -4.584   0.054
  288    HA   ARG  39           HA       ARG  39   9.743  -3.489   1.704
  289    HB2  ARG  39          2HB       ARG  39   9.120  -6.419   1.304
  290    HB3  ARG  39          3HB       ARG  39  10.019  -5.766   2.667
  291    HG2  ARG  39          2HG       ARG  39   7.958  -4.326   3.109
  292    HG3  ARG  39          3HG       ARG  39   7.122  -5.405   1.991
  293    HD2  ARG  39          2HD       ARG  39   6.741  -6.243   4.179
  294    HD3  ARG  39          3HD       ARG  39   7.907  -7.319   3.412
  295    HE   ARG  39           HE       ARG  39   9.277  -5.329   4.852
  296   HH11  ARG  39          1HH1      ARG  39   7.309  -8.154   5.360
  297   HH12  ARG  39          2HH1      ARG  39   8.029  -8.541   6.889
  298   HH21  ARG  39          1HH2      ARG  39  10.233  -5.827   6.862
  299   HH22  ARG  39          2HH2      ARG  39   9.691  -7.216   7.742
  300    H    SER  40           HN       SER  40  10.244  -5.287  -1.212
  301    HA   SER  40           HA       SER  40  13.086  -5.651  -0.669
  302    HB2  SER  40          2HB       SER  40  11.184  -6.659  -2.746
  303    HB3  SER  40          3HB       SER  40  12.908  -6.624  -3.117
  304    HG   SER  40           HG       SER  40  13.258  -7.898  -1.255
  305    H    TRP  41           HN       TRP  41  10.940  -3.590  -2.441
  306    HA   TRP  41           HA       TRP  41  12.943  -2.522  -4.199
  307    HB2  TRP  41          2HB       TRP  41  10.628  -2.499  -4.909
  308    HB3  TRP  41          3HB       TRP  41  10.164  -1.558  -3.495
  309    HD1  TRP  41          1HD       TRP  41  10.931   1.051  -3.463
  310    HE1  TRP  41          1HE       TRP  41  11.428   2.675  -5.396
  311    HE3  TRP  41          3HE       TRP  41  11.567  -2.346  -7.230
  312    HZ2  TRP  41          2HZ       TRP  41  12.011   2.534  -8.155
  313    HZ3  TRP  41          3HZ       TRP  41  12.092  -1.519  -9.487
  314    HH2  TRP  41          2HH       TRP  41  12.308   0.871  -9.938
  315    H    PHE  42           HN       PHE  42  11.352  -1.445  -1.220
  316    HA   PHE  42           HA       PHE  42  12.705   1.051  -1.091
  317    HB2  PHE  42          2HB       PHE  42  11.313  -0.559   1.059
  318    HB3  PHE  42          3HB       PHE  42  11.888   1.093   1.266
  319    HD1  PHE  42          1HD       PHE  42  11.126   2.334  -1.269
  320    HD2  PHE  42          2HD       PHE  42   9.008  -0.431   1.178
  321    HE1  PHE  42          1HE       PHE  42   8.995   3.188  -2.154
  322    HE2  PHE  42          2HE       PHE  42   6.875   0.418   0.296
  323    HZ   PHE  42           HZ       PHE  42   6.866   2.228  -1.373
  324    H    GLN  43           HN       GLN  43  13.605  -2.162  -0.322
  325    HA   GLN  43           HA       GLN  43  15.520  -1.643   1.696
  326    HB2  GLN  43          2HB       GLN  43  14.954  -3.915  -0.159
  327    HB3  GLN  43          3HB       GLN  43  16.487  -3.892   0.703
  328    HG2  GLN  43          2HG       GLN  43  14.095  -3.396   2.342
  329    HG3  GLN  43          3HG       GLN  43  14.235  -5.012   1.652
  330   HE21  GLN  43          1HE2      GLN  43  16.718  -5.727   1.785
  331   HE22  GLN  43          2HE2      GLN  43  17.359  -5.643   3.388
  332    H    ARG  44           HN       ARG  44  15.477  -0.796  -1.535
  333    HA   ARG  44           HA       ARG  44  18.377  -0.328  -1.496
  334    HB2  ARG  44          2HB       ARG  44  16.831  -1.267  -3.918
  335    HB3  ARG  44          3HB       ARG  44  18.553  -0.917  -3.851
  336    HG2  ARG  44          2HG       ARG  44  18.394  -2.756  -1.906
  337    HG3  ARG  44          3HG       ARG  44  17.061  -3.285  -2.934
  338    HD2  ARG  44          2HD       ARG  44  19.380  -2.618  -4.512
  339    HD3  ARG  44          3HD       ARG  44  19.782  -3.812  -3.279
  340    HE   ARG  44           HE       ARG  44  17.472  -4.737  -4.402
  341   HH11  ARG  44          1HH1      ARG  44  20.613  -3.844  -5.607
  342   HH12  ARG  44          2HH1      ARG  44  20.570  -4.964  -6.928
  343   HH21  ARG  44          1HH2      ARG  44  17.402  -6.215  -6.138
  344   HH22  ARG  44          2HH2      ARG  44  18.742  -6.311  -7.229
  345    H    GLN  45           HN       GLN  45  15.197   0.583  -2.657
  346    HA   GLN  45           HA       GLN  45  16.238   3.281  -3.194
  347    HB2  GLN  45          2HB       GLN  45  14.500   1.553  -4.896
  348    HB3  GLN  45          3HB       GLN  45  14.222   3.289  -4.908
  349    HG2  GLN  45          2HG       GLN  45  15.672   2.733  -6.719
  350    HG3  GLN  45          3HG       GLN  45  16.597   3.621  -5.509
  351   HE21  GLN  45          1HE2      GLN  45  15.640   0.221  -5.853
  352   HE22  GLN  45          2HE2      GLN  45  17.239  -0.420  -5.721
  353    H    GLN  46           HN       GLN  46  15.506   4.389  -1.477
  354    HA   GLN  46           HA       GLN  46  12.974   3.852  -0.250
  355    HB2  GLN  46          2HB       GLN  46  15.040   4.730   0.926
  356    HB3  GLN  46          3HB       GLN  46  14.711   6.282   0.169
  357    HG2  GLN  46          2HG       GLN  46  13.252   6.797   1.745
  358    HG3  GLN  46          3HG       GLN  46  12.337   5.322   1.438
  359   HE21  GLN  46          1HE2      GLN  46  13.303   6.875   3.901
  360   HE22  GLN  46          2HE2      GLN  46  13.948   5.641   4.923
  361    H    THR  47           HN       THR  47  12.333   4.262  -2.804
  362    HA   THR  47           HA       THR  47  10.713   6.662  -2.668
  363    HB   THR  47           HB       THR  47  11.651   6.784  -5.295
  364    HG1  THR  47          1HG       THR  47  13.561   5.829  -5.050
  365   HG21  THR  47          1HG2      THR  47  12.259   8.973  -4.747
  366   HG22  THR  47          2HG2      THR  47  12.705   8.536  -3.097
  367   HG23  THR  47          3HG2      THR  47  11.006   8.588  -3.569
  368    H    CYS  48           HN       CYS  48   8.834   6.511  -3.834
  369    HA   CYS  48           HA       CYS  48   7.733   4.069  -4.405
  370    HB2  CYS  48          2HB       CYS  48   6.851   6.664  -4.494
  371    HB3  CYS  48          3HB       CYS  48   6.773   6.197  -6.189
  372    HA   PRO  49           HA       PRO  49   9.659   2.683  -8.121
  373    HB2  PRO  49          2HB       PRO  49   7.812   0.833  -8.853
  374    HB3  PRO  49          3HB       PRO  49   8.945   0.583  -7.520
  375    HG2  PRO  49          2HG       PRO  49   6.079   1.440  -7.433
  376    HG3  PRO  49          3HG       PRO  49   6.931   0.277  -6.400
  377    HD2  PRO  49          2HD       PRO  49   6.419   2.817  -5.617
  378    HD3  PRO  49          3HD       PRO  49   7.864   1.928  -5.092
  379    H    THR  50           HN       THR  50   6.993   4.616  -7.986
  380    HA   THR  50           HA       THR  50   6.882   4.821 -10.915
  381    HB   THR  50           HB       THR  50   4.868   3.600 -10.121
  382    HG1  THR  50          1HG       THR  50   4.165   6.204 -11.020
  383   HG21  THR  50          1HG2      THR  50   4.089   6.187  -8.782
  384   HG22  THR  50          2HG2      THR  50   4.763   4.809  -7.911
  385   HG23  THR  50          3HG2      THR  50   3.223   4.651  -8.756
  386    H    CYS  51           HN       CYS  51   5.884   6.387  -7.873
  387    HA   CYS  51           HA       CYS  51   6.237   9.002  -9.145
  388    HB2  CYS  51          2HB       CYS  51   4.847   9.909  -7.499
  389    HB3  CYS  51          3HB       CYS  51   4.140   8.322  -7.788
  390    H    ARG  52           HN       ARG  52   8.040   6.847  -7.447
  391    HA   ARG  52           HA       ARG  52   9.760   7.000  -5.905
  392    HB2  ARG  52          2HB       ARG  52  11.625   8.102  -6.860
  393    HB3  ARG  52          3HB       ARG  52  10.640   7.568  -8.214
  394    HG2  ARG  52          2HG       ARG  52  10.374   9.644  -8.955
  395    HG3  ARG  52          3HG       ARG  52   9.924  10.236  -7.354
  396    HD2  ARG  52          2HD       ARG  52  12.383  10.188  -6.782
  397    HD3  ARG  52          3HD       ARG  52  12.689   9.898  -8.495
  398    HE   ARG  52           HE       ARG  52  11.105  12.128  -8.432
  399   HH11  ARG  52          1HH1      ARG  52  14.163  11.216  -7.041
  400   HH12  ARG  52          2HH1      ARG  52  14.790  12.830  -7.036
  401   HH21  ARG  52          1HH2      ARG  52  11.919  14.258  -8.431
  402   HH22  ARG  52          2HH2      ARG  52  13.514  14.561  -7.826
  403    H    MET  53           HN       MET  53   7.590   8.374  -4.863
  404    HA   MET  53           HA       MET  53   8.716  10.876  -3.820
  405    HB2  MET  53          2HB       MET  53   6.419  10.880  -4.835
  406    HB3  MET  53          3HB       MET  53   5.894   9.839  -3.519
  407    HG2  MET  53          2HG       MET  53   6.971  11.801  -2.080
  408    HG3  MET  53          3HG       MET  53   6.545  12.721  -3.522
  409    HE1  MET  53          1HE       MET  53   5.495  10.721  -0.523
  410    HE2  MET  53          2HE       MET  53   3.733  10.759  -0.500
  411    HE3  MET  53          3HE       MET  53   4.577   9.675  -1.606
  412    H    ASP  54           HN       ASP  54   9.744  10.749  -1.946
  413    HA   ASP  54           HA       ASP  54  10.151   8.709  -0.281
  414    HB2  ASP  54          2HB       ASP  54  11.289  10.603   0.380
  415    HB3  ASP  54          3HB       ASP  54   9.864  11.631   0.260
  416    H    VAL  55           HN       VAL  55   9.009   7.371   0.950
  417    HA   VAL  55           HA       VAL  55   6.351   8.238   1.882
  418    HB   VAL  55           HB       VAL  55   5.697   5.784   1.676
  419   HG11  VAL  55          1HG1      VAL  55   5.748   7.895  -0.253
  420   HG12  VAL  55          2HG1      VAL  55   5.886   6.340  -1.076
  421   HG13  VAL  55          3HG1      VAL  55   4.525   6.651   0.003
  422   HG21  VAL  55          1HG2      VAL  55   7.821   4.752   1.380
  423   HG22  VAL  55          2HG2      VAL  55   6.941   4.565  -0.137
  424   HG23  VAL  55          3HG2      VAL  55   8.203   5.789   0.005
  425    H    LEU  56           HN       LEU  56   9.042   5.984   2.402
  426    HA   LEU  56           HA       LEU  56   8.273   4.983   4.883
  427    HB2  LEU  56          2HB       LEU  56  10.423   4.673   3.208
  428    HB3  LEU  56          3HB       LEU  56  11.146   5.444   4.618
  429    HG   LEU  56           HG       LEU  56   9.395   3.093   5.089
  430   HD11  LEU  56          1HD1      LEU  56  10.606   2.202   3.272
  431   HD12  LEU  56          2HD1      LEU  56  11.419   1.625   4.725
  432   HD13  LEU  56          3HD1      LEU  56  12.108   2.960   3.802
  433   HD21  LEU  56          1HD2      LEU  56  11.321   2.664   6.713
  434   HD22  LEU  56          2HD2      LEU  56  10.285   4.055   7.028
  435   HD23  LEU  56          3HD2      LEU  56  11.872   4.285   6.293
  Start of MODEL    2
    1    H1   ALA   1           HN       ALA   1  -4.866  -3.838   0.610
    2    HA   ALA   1           HA       ALA   1  -6.421  -2.097  -0.298
    3    HB1  ALA   1          1HB       ALA   1  -5.821  -2.721  -2.810
    4    HB2  ALA   1          2HB       ALA   1  -4.612  -2.117  -1.676
    5    HB3  ALA   1          3HB       ALA   1  -4.734  -3.846  -1.996
    6    H    THR   2           HN       THR   2  -8.218  -1.666  -1.607
    7    HA   THR   2           HA       THR   2 -10.141  -3.840  -1.714
    8    HB   THR   2           HB       THR   2 -11.606  -1.856  -2.642
    9    HG1  THR   2          1HG       THR   2  -9.931  -0.350  -2.867
   10   HG21  THR   2          1HG2      THR   2 -12.423  -1.546  -0.503
   11   HG22  THR   2          2HG2      THR   2 -10.817  -1.560   0.225
   12   HG23  THR   2          3HG2      THR   2 -11.551  -3.068  -0.322
   13    HA   PRO   3           HA       PRO   3  -9.887  -4.672  -6.017
   14    HB2  PRO   3          2HB       PRO   3 -12.480  -5.209  -6.614
   15    HB3  PRO   3          3HB       PRO   3 -11.463  -6.309  -5.677
   16    HG2  PRO   3          2HG       PRO   3 -13.499  -4.333  -4.720
   17    HG3  PRO   3          3HG       PRO   3 -13.211  -5.996  -4.176
   18    HD2  PRO   3          2HD       PRO   3 -12.302  -3.840  -2.813
   19    HD3  PRO   3          3HD       PRO   3 -11.432  -5.387  -2.844
   20    H    GLU   4           HN       GLU   4 -12.095  -2.203  -4.906
   21    HA   GLU   4           HA       GLU   4 -12.715  -1.174  -7.505
   22    HB2  GLU   4          2HB       GLU   4 -13.841  -0.876  -5.053
   23    HB3  GLU   4          3HB       GLU   4 -12.952   0.634  -5.183
   24    HG2  GLU   4          2HG       GLU   4 -14.099   0.681  -7.565
   25    HG3  GLU   4          3HG       GLU   4 -15.274  -0.342  -6.741
   26    H    GLU   5           HN       GLU   5 -10.441  -0.309  -4.937
   27    HA   GLU   5           HA       GLU   5  -9.428   1.983  -6.332
   28    HB2  GLU   5          2HB       GLU   5  -8.213   0.483  -4.007
   29    HB3  GLU   5          3HB       GLU   5  -7.775   2.096  -4.549
   30    HG2  GLU   5          2HG       GLU   5 -10.609   1.645  -3.842
   31    HG3  GLU   5          3HG       GLU   5  -9.440   1.648  -2.523
   32    H    LEU   6           HN       LEU   6  -8.589  -1.399  -6.093
   33    HA   LEU   6           HA       LEU   6  -5.978  -1.219  -7.169
   34    HB2  LEU   6          2HB       LEU   6  -7.946  -3.365  -6.656
   35    HB3  LEU   6          3HB       LEU   6  -6.705  -3.707  -7.859
   36    HG   LEU   6           HG       LEU   6  -6.081  -2.808  -5.052
   37   HD11  LEU   6          1HD1      LEU   6  -5.716  -5.088  -4.456
   38   HD12  LEU   6          2HD1      LEU   6  -6.055  -5.632  -6.099
   39   HD13  LEU   6          3HD1      LEU   6  -7.350  -4.959  -5.108
   40   HD21  LEU   6          1HD2      LEU   6  -4.285  -4.371  -6.853
   41   HD22  LEU   6          2HD2      LEU   6  -3.877  -3.276  -5.532
   42   HD23  LEU   6          3HD2      LEU   6  -4.441  -2.628  -7.073
   43    H    GLN   7           HN       GLN   7  -9.109  -2.025  -8.656
   44    HA   GLN   7           HA       GLN   7  -8.062  -2.256 -11.287
   45    HB2  GLN   7          2HB       GLN   7 -10.484  -2.814 -10.045
   46    HB3  GLN   7          3HB       GLN   7 -10.875  -1.520 -11.170
   47    HG2  GLN   7          2HG       GLN   7  -9.369  -3.982 -11.996
   48    HG3  GLN   7          3HG       GLN   7 -11.129  -3.883 -12.021
   49   HE21  GLN   7          1HE2      GLN   7  -8.179  -2.870 -13.501
   50   HE22  GLN   7          2HE2      GLN   7  -8.884  -2.106 -14.881
   51    H    ALA   8           HN       ALA   8  -8.672   0.410  -9.321
   52    HA   ALA   8           HA       ALA   8  -9.330   2.255 -11.448
   53    HB1  ALA   8          1HB       ALA   8  -9.990   3.612  -9.808
   54    HB2  ALA   8          2HB       ALA   8  -9.707   2.259  -8.714
   55    HB3  ALA   8          3HB       ALA   8  -8.449   3.469  -8.962
   56    H    MET   9           HN       MET   9  -6.541   0.768 -10.471
   57    HA   MET   9           HA       MET   9  -4.909   2.877 -11.694
   58    HB2  MET   9          2HB       MET   9  -3.130   2.504 -10.039
   59    HB3  MET   9          3HB       MET   9  -4.603   3.096  -9.284
   60    HG2  MET   9          2HG       MET   9  -4.860   1.251  -8.053
   61    HG3  MET   9          3HG       MET   9  -4.408   0.184  -9.380
   62    HE1  MET   9          1HE       MET   9  -0.724  -0.379  -9.075
   63    HE2  MET   9          2HE       MET   9  -2.231  -0.600  -9.963
   64    HE3  MET   9          3HE       MET   9  -1.322   0.903 -10.128
   65    H    ASP  10           HN       ASP  10  -6.015   0.325 -12.654
   66    HA   ASP  10           HA       ASP  10  -5.303  -1.267 -14.135
   67    HB2  ASP  10          2HB       ASP  10  -3.391   0.423 -14.518
   68    HB3  ASP  10          3HB       ASP  10  -2.440  -0.624 -13.468
   69    H    ASN  11           HN       ASN  11  -4.656  -1.138 -10.884
   70    HA   ASN  11           HA       ASN  11  -3.946  -2.649  -9.302
   71    HB2  ASN  11          2HB       ASN  11  -5.392  -4.458  -9.168
   72    HB3  ASN  11          3HB       ASN  11  -6.273  -3.383 -10.251
   73   HD21  ASN  11          1HD2      ASN  11  -4.882  -6.436  -9.845
   74   HD22  ASN  11          2HD2      ASN  11  -5.122  -7.029 -11.451
   75    H    VAL  12           HN       VAL  12  -2.055  -2.318 -11.455
   76    HA   VAL  12           HA       VAL  12  -0.847  -5.009 -11.487
   77    HB   VAL  12           HB       VAL  12  -0.936  -2.886 -13.589
   78   HG11  VAL  12          1HG1      VAL  12   1.368  -4.672 -12.985
   79   HG12  VAL  12          2HG1      VAL  12   0.951  -4.364 -14.671
   80   HG13  VAL  12          3HG1      VAL  12   1.351  -3.020 -13.601
   81   HG21  VAL  12          1HG2      VAL  12  -0.788  -5.541 -14.580
   82   HG22  VAL  12          2HG2      VAL  12  -1.933  -5.523 -13.239
   83   HG23  VAL  12          3HG2      VAL  12  -2.161  -4.434 -14.607
   84    H    CYS  13           HN       CYS  13   1.051  -5.220 -10.496
   85    HA   CYS  13           HA       CYS  13   2.247  -3.044  -9.121
   86    HB2  CYS  13          2HB       CYS  13   2.364  -5.301  -8.223
   87    HB3  CYS  13          3HB       CYS  13   3.259  -5.848  -9.637
   88    H    ILE  14           HN       ILE  14   3.473  -1.519  -9.986
   89    HA   ILE  14           HA       ILE  14   4.561  -1.660 -12.591
   90    HB   ILE  14           HB       ILE  14   3.960   0.423 -11.154
   91   HG12  ILE  14          2HG1      ILE  14   4.712   0.661 -13.414
   92   HG13  ILE  14          3HG1      ILE  14   5.660   1.776 -12.436
   93   HG21  ILE  14          1HG2      ILE  14   6.852   0.035 -10.390
   94   HG22  ILE  14          2HG2      ILE  14   5.872   1.459 -10.044
   95   HG23  ILE  14          3HG2      ILE  14   5.469  -0.090  -9.303
   96   HD11  ILE  14          1HD1      ILE  14   7.248   0.840 -13.810
   97   HD12  ILE  14          2HD1      ILE  14   7.380  -0.160 -12.363
   98   HD13  ILE  14          3HD1      ILE  14   6.497  -0.755 -13.769
   99    H    ILE  15           HN       ILE  15   6.052  -1.896  -9.375
  100    HA   ILE  15           HA       ILE  15   8.678  -1.965  -9.794
  101    HB   ILE  15           HB       ILE  15   7.190  -4.107  -8.271
  102   HG12  ILE  15          2HG1      ILE  15   8.548  -1.781  -6.985
  103   HG13  ILE  15          3HG1      ILE  15   6.997  -1.505  -7.768
  104   HG21  ILE  15          1HG2      ILE  15   9.222  -5.052  -8.164
  105   HG22  ILE  15          2HG2      ILE  15  10.044  -3.580  -8.677
  106   HG23  ILE  15          3HG2      ILE  15   9.565  -3.779  -6.993
  107   HD11  ILE  15          1HD1      ILE  15   6.183  -3.498  -6.359
  108   HD12  ILE  15          2HD1      ILE  15   7.635  -3.211  -5.401
  109   HD13  ILE  15          3HD1      ILE  15   6.425  -1.940  -5.571
  110    H    CYS  16           HN       CYS  16   6.579  -4.755 -10.496
  111    HA   CYS  16           HA       CYS  16   8.718  -5.814 -12.225
  112    HB2  CYS  16          2HB       CYS  16   7.690  -8.041 -11.870
  113    HB3  CYS  16          3HB       CYS  16   8.258  -7.313 -10.372
  114    H    ARG  17           HN       ARG  17   5.820  -4.252 -12.301
  115    HA   ARG  17           HA       ARG  17   4.148  -3.988 -13.830
  116    HB2  ARG  17          2HB       ARG  17   6.556  -4.625 -15.508
  117    HB3  ARG  17          3HB       ARG  17   4.994  -4.329 -16.261
  118    HG2  ARG  17          2HG       ARG  17   5.139  -2.186 -14.645
  119    HG3  ARG  17          3HG       ARG  17   6.856  -2.459 -14.955
  120    HD2  ARG  17          2HD       ARG  17   4.730  -2.208 -17.081
  121    HD3  ARG  17          3HD       ARG  17   5.807  -0.908 -16.572
  122    HE   ARG  17           HE       ARG  17   7.468  -2.968 -17.271
  123   HH11  ARG  17          1HH1      ARG  17   4.954  -1.155 -18.855
  124   HH12  ARG  17          2HH1      ARG  17   5.646  -1.325 -20.434
  125   HH21  ARG  17          1HH2      ARG  17   8.391  -3.198 -19.345
  126   HH22  ARG  17          2HH2      ARG  17   7.600  -2.487 -20.711
  127    H    GLU  18           HN       GLU  18   3.421  -6.114 -12.670
  128    HA   GLU  18           HA       GLU  18   2.941  -8.130 -14.766
  129    HB2  GLU  18          2HB       GLU  18   3.475  -8.501 -11.826
  130    HB3  GLU  18          3HB       GLU  18   2.683  -9.742 -12.787
  131    HG2  GLU  18          2HG       GLU  18   5.437  -8.617 -13.240
  132    HG3  GLU  18          3HG       GLU  18   5.042 -10.207 -12.587
  133    H    GLU  19           HN       GLU  19   1.530  -8.287 -11.592
  134    HA   GLU  19           HA       GLU  19  -0.870  -6.891 -12.161
  135    HB2  GLU  19          2HB       GLU  19  -0.697  -9.505 -13.258
  136    HB3  GLU  19          3HB       GLU  19  -1.824  -9.575 -11.910
  137    HG2  GLU  19          2HG       GLU  19  -2.820  -7.429 -13.031
  138    HG3  GLU  19          3HG       GLU  19  -2.015  -8.065 -14.465
  139    H    MET  20           HN       MET  20  -2.328  -6.887 -10.402
  140    HA   MET  20           HA       MET  20  -1.367  -8.263  -7.984
  141    HB2  MET  20          2HB       MET  20  -1.989  -5.373  -8.404
  142    HB3  MET  20          3HB       MET  20  -2.351  -6.090  -6.840
  143    HG2  MET  20          2HG       MET  20  -0.055  -6.713  -6.530
  144    HG3  MET  20          3HG       MET  20   0.348  -6.184  -8.162
  145    HE1  MET  20          1HE       MET  20   0.162  -2.533  -8.226
  146    HE2  MET  20          2HE       MET  20  -0.636  -3.945  -8.920
  147    HE3  MET  20          3HE       MET  20  -1.498  -2.919  -7.773
  148    H    VAL  21           HN       VAL  21  -2.960  -9.856  -8.215
  149    HA   VAL  21           HA       VAL  21  -5.753  -9.069  -8.318
  150    HB   VAL  21           HB       VAL  21  -6.168 -11.548  -8.189
  151   HG11  VAL  21          1HG1      VAL  21  -4.277 -10.924 -10.429
  152   HG12  VAL  21          2HG1      VAL  21  -5.764 -11.876 -10.459
  153   HG13  VAL  21          3HG1      VAL  21  -5.843 -10.120 -10.305
  154   HG21  VAL  21          1HG2      VAL  21  -3.691 -11.737  -7.167
  155   HG22  VAL  21          2HG2      VAL  21  -4.510 -13.073  -7.975
  156   HG23  VAL  21          3HG2      VAL  21  -3.344 -12.089  -8.860
  157    H    THR  22           HN       THR  22  -3.418 -10.242  -5.994
  158    HA   THR  22           HA       THR  22  -4.990  -9.401  -3.787
  159    HB   THR  22           HB       THR  22  -6.222 -11.475  -4.281
  160    HG1  THR  22          1HG       THR  22  -6.412 -11.697  -2.188
  161   HG21  THR  22          1HG2      THR  22  -3.759 -13.023  -3.537
  162   HG22  THR  22          2HG2      THR  22  -4.116 -12.620  -5.217
  163   HG23  THR  22          3HG2      THR  22  -5.246 -13.603  -4.285
  164    H    GLY  23           HN       GLY  23  -3.837  -9.415  -1.840
  165    HA2  GLY  23          1HA       GLY  23  -2.014  -9.848  -0.436
  166    HA3  GLY  23          2HA       GLY  23  -1.232 -10.708  -1.754
  167    H    ALA  24           HN       ALA  24  -2.420  -7.383  -1.240
  168    HA   ALA  24           HA       ALA  24   0.276  -6.363  -1.645
  169    HB1  ALA  24          1HB       ALA  24  -1.769  -6.286  -3.693
  170    HB2  ALA  24          2HB       ALA  24  -1.211  -4.670  -3.259
  171    HB3  ALA  24          3HB       ALA  24  -0.053  -5.888  -3.794
  172    H    LYS  25           HN       LYS  25   0.417  -4.019  -1.215
  173    HA   LYS  25           HA       LYS  25  -1.638  -3.188   0.726
  174    HB2  LYS  25          2HB       LYS  25   1.181  -2.147   0.707
  175    HB3  LYS  25          3HB       LYS  25   0.018  -2.143   2.026
  176    HG2  LYS  25          2HG       LYS  25   1.304  -4.617   0.889
  177    HG3  LYS  25          3HG       LYS  25   1.858  -3.763   2.331
  178    HD2  LYS  25          2HD       LYS  25  -0.963  -4.285   2.508
  179    HD3  LYS  25          3HD       LYS  25  -0.088  -5.781   2.171
  180    HE2  LYS  25          2HE       LYS  25   1.005  -5.750   4.165
  181    HE3  LYS  25          3HE       LYS  25   1.046  -3.990   4.240
  182    HZ1  LYS  25          1HZ       LYS  25  -1.515  -5.412   4.530
  183    HZ2  LYS  25          2HZ       LYS  25  -1.068  -3.890   5.115
  184    HZ3  LYS  25          3HZ       LYS  25  -0.468  -5.289   5.853
  185    H    ARG  26           HN       ARG  26  -1.380  -0.648   1.077
  186    HA   ARG  26           HA       ARG  26  -1.336   0.610  -1.586
  187    HB2  ARG  26          2HB       ARG  26  -3.654   0.268  -0.771
  188    HB3  ARG  26          3HB       ARG  26  -3.272   1.227   0.652
  189    HG2  ARG  26          2HG       ARG  26  -2.585   3.012  -1.165
  190    HG3  ARG  26          3HG       ARG  26  -3.714   2.082  -2.154
  191    HD2  ARG  26          2HD       ARG  26  -4.768   3.997  -0.981
  192    HD3  ARG  26          3HD       ARG  26  -5.482   2.439  -0.568
  193    HE   ARG  26           HE       ARG  26  -3.418   3.281   1.246
  194   HH11  ARG  26          1HH1      ARG  26  -6.807   3.476   0.473
  195   HH12  ARG  26          2HH1      ARG  26  -7.288   3.853   2.095
  196   HH21  ARG  26          1HH2      ARG  26  -4.039   3.777   3.384
  197   HH22  ARG  26          2HH2      ARG  26  -5.713   4.024   3.749
  198    H    LEU  27           HN       LEU  27  -0.249   2.490  -1.755
  199    HA   LEU  27           HA       LEU  27   1.210   3.409   0.586
  200    HB2  LEU  27          2HB       LEU  27   1.387   4.103  -2.338
  201    HB3  LEU  27          3HB       LEU  27   2.362   4.884  -1.096
  202    HG   LEU  27           HG       LEU  27   2.429   1.946  -1.784
  203   HD11  LEU  27          1HD1      LEU  27   3.417   3.879  -3.341
  204   HD12  LEU  27          2HD1      LEU  27   4.210   2.317  -3.129
  205   HD13  LEU  27          3HD1      LEU  27   4.758   3.716  -2.206
  206   HD21  LEU  27          1HD2      LEU  27   4.615   2.222  -0.396
  207   HD22  LEU  27          2HD2      LEU  27   3.071   2.008   0.430
  208   HD23  LEU  27          3HD2      LEU  27   3.782   3.617   0.289
  209    HA   PRO  28           HA       PRO  28  -1.236   6.964   1.400
  210    HB2  PRO  28          2HB       PRO  28   0.657   8.705   2.271
  211    HB3  PRO  28          3HB       PRO  28   0.112   7.321   3.227
  212    HG2  PRO  28          2HG       PRO  28   2.562   7.604   1.527
  213    HG3  PRO  28          3HG       PRO  28   2.393   6.880   3.137
  214    HD2  PRO  28          2HD       PRO  28   2.514   5.394   0.878
  215    HD3  PRO  28          3HD       PRO  28   1.573   4.896   2.298
  216    H    CYS  29           HN       CYS  29   0.840   6.797  -1.176
  217    HA   CYS  29           HA       CYS  29   0.327   9.568  -2.019
  218    HB2  CYS  29          2HB       CYS  29   2.063   9.006  -3.807
  219    HB3  CYS  29          3HB       CYS  29   2.648   9.140  -2.151
  220    H    ASN  30           HN       ASN  30  -1.030   6.617  -2.285
  221    HA   ASN  30           HA       ASN  30  -2.797   5.951  -3.601
  222    HB2  ASN  30          2HB       ASN  30  -2.850   8.510  -4.216
  223    HB3  ASN  30          3HB       ASN  30  -2.139   7.953  -5.728
  224   HD21  ASN  30          1HD2      ASN  30  -4.868   9.005  -4.743
  225   HD22  ASN  30          2HD2      ASN  30  -5.992   7.939  -5.508
  226    H    HIS  31           HN       HIS  31  -0.555   4.544  -3.632
  227    HA   HIS  31           HA       HIS  31  -0.468   3.527  -6.346
  228    HB2  HIS  31          2HB       HIS  31   2.053   4.423  -4.931
  229    HB3  HIS  31          3HB       HIS  31   1.999   3.531  -6.449
  230    HD2  HIS  31          2HD       HIS  31   0.113   5.208  -8.306
  231    HE1  HIS  31          1HE       HIS  31   2.194   8.663  -6.990
  232    HE2  HIS  31          2HE       HIS  31   0.596   7.720  -8.694
  233    H    ILE  32           HN       ILE  32  -0.898   1.445  -6.077
  234    HA   ILE  32           HA       ILE  32   0.033   0.082  -3.657
  235    HB   ILE  32           HB       ILE  32  -2.047  -0.657  -5.709
  236   HG12  ILE  32          2HG1      ILE  32  -2.675  -0.668  -2.835
  237   HG13  ILE  32          3HG1      ILE  32  -2.227   0.911  -3.471
  238   HG21  ILE  32          1HG2      ILE  32  -0.532  -2.364  -3.882
  239   HG22  ILE  32          2HG2      ILE  32  -2.281  -2.525  -3.729
  240   HG23  ILE  32          3HG2      ILE  32  -1.505  -2.790  -5.291
  241   HD11  ILE  32          1HD1      ILE  32  -3.962   0.656  -5.207
  242   HD12  ILE  32          2HD1      ILE  32  -4.448  -0.862  -4.452
  243   HD13  ILE  32          3HD1      ILE  32  -4.607   0.655  -3.566
  244    H    PHE  33           HN       PHE  33   1.323  -1.722  -3.700
  245    HA   PHE  33           HA       PHE  33   2.159  -2.844  -6.247
  246    HB2  PHE  33          2HB       PHE  33   4.200  -1.695  -4.335
  247    HB3  PHE  33          3HB       PHE  33   4.525  -2.478  -5.878
  248    HD1  PHE  33          1HD       PHE  33   3.682   0.593  -4.207
  249    HD2  PHE  33          2HD       PHE  33   3.800  -1.355  -7.989
  250    HE1  PHE  33          1HE       PHE  33   3.556   2.778  -5.333
  251    HE2  PHE  33          2HE       PHE  33   3.675   0.826  -9.121
  252    HZ   PHE  33           HZ       PHE  33   3.554   2.896  -7.793
  253    H    HIS  34           HN       HIS  34   3.319  -4.842  -6.028
  254    HA   HIS  34           HA       HIS  34   2.308  -6.653  -4.271
  255    HB2  HIS  34          2HB       HIS  34   4.987  -6.587  -5.647
  256    HB3  HIS  34          3HB       HIS  34   4.481  -7.961  -4.670
  257    HD2  HIS  34          2HD       HIS  34   1.392  -8.205  -5.780
  258    HE1  HIS  34          1HE       HIS  34   3.257  -8.590  -9.571
  259    HE2  HIS  34          2HE       HIS  34   1.123  -8.870  -8.265
  260    H    THR  35           HN       THR  35   2.587  -7.226  -2.199
  261    HA   THR  35           HA       THR  35   3.900  -5.529  -0.391
  262    HB   THR  35           HB       THR  35   3.059  -8.397   0.071
  263    HG1  THR  35          1HG       THR  35   1.096  -7.517   0.695
  264   HG21  THR  35          1HG2      THR  35   3.915  -8.122   2.111
  265   HG22  THR  35          2HG2      THR  35   2.743  -6.834   2.383
  266   HG23  THR  35          3HG2      THR  35   4.344  -6.450   1.751
  267    H    SER  36           HN       SER  36   5.102  -8.045  -2.349
  268    HA   SER  36           HA       SER  36   7.435  -8.501  -0.651
  269    HB2  SER  36          2HB       SER  36   7.902 -10.384  -1.967
  270    HB3  SER  36          3HB       SER  36   6.140 -10.346  -1.937
  271    HG   SER  36           HG       SER  36   6.379 -10.416  -4.031
  272    H    CYS  37           HN       CYS  37   6.520  -7.036  -3.705
  273    HA   CYS  37           HA       CYS  37   9.185  -6.532  -4.595
  274    HB2  CYS  37          2HB       CYS  37   6.531  -5.337  -5.415
  275    HB3  CYS  37          3HB       CYS  37   8.058  -4.987  -6.218
  276    H    LEU  38           HN       LEU  38   6.915  -4.869  -2.550
  277    HA   LEU  38           HA       LEU  38   8.186  -2.316  -2.651
  278    HB2  LEU  38          2HB       LEU  38   6.160  -3.591  -0.852
  279    HB3  LEU  38          3HB       LEU  38   6.861  -2.026  -0.446
  280    HG   LEU  38           HG       LEU  38   5.227  -2.687  -2.894
  281   HD11  LEU  38          1HD1      LEU  38   3.621  -2.402  -1.318
  282   HD12  LEU  38          2HD1      LEU  38   3.913  -0.705  -1.700
  283   HD13  LEU  38          3HD1      LEU  38   4.658  -1.428  -0.275
  284   HD21  LEU  38          1HD2      LEU  38   5.366  -0.156  -3.192
  285   HD22  LEU  38          2HD2      LEU  38   6.788  -1.102  -3.631
  286   HD23  LEU  38          3HD2      LEU  38   6.750  -0.223  -2.102
  287    H    ARG  39           HN       ARG  39   8.093  -4.843  -0.133
  288    HA   ARG  39           HA       ARG  39   9.942  -3.665   1.594
  289    HB2  ARG  39          2HB       ARG  39   9.363  -6.601   1.158
  290    HB3  ARG  39          3HB       ARG  39  10.228  -5.934   2.536
  291    HG2  ARG  39          2HG       ARG  39   8.161  -4.587   3.038
  292    HG3  ARG  39          3HG       ARG  39   7.337  -5.554   1.813
  293    HD2  ARG  39          2HD       ARG  39   7.807  -6.182   4.535
  294    HD3  ARG  39          3HD       ARG  39   6.990  -7.153   3.312
  295    HE   ARG  39           HE       ARG  39   9.683  -7.488   4.288
  296   HH11  ARG  39          1HH1      ARG  39   7.431  -8.165   1.721
  297   HH12  ARG  39          2HH1      ARG  39   8.294  -9.557   1.155
  298   HH21  ARG  39          1HH2      ARG  39  10.828  -9.319   3.552
  299   HH22  ARG  39          2HH2      ARG  39  10.224 -10.213   2.199
  300    H    SER  40           HN       SER  40  10.397  -5.546  -1.306
  301    HA   SER  40           HA       SER  40  13.247  -5.864  -0.838
  302    HB2  SER  40          2HB       SER  40  11.409  -6.720  -3.074
  303    HB3  SER  40          3HB       SER  40  13.159  -6.921  -3.160
  304    HG   SER  40           HG       SER  40  11.513  -8.591  -2.108
  305    H    TRP  41           HN       TRP  41  11.098  -3.704  -2.434
  306    HA   TRP  41           HA       TRP  41  13.072  -2.627  -4.240
  307    HB2  TRP  41          2HB       TRP  41  10.784  -2.560  -4.964
  308    HB3  TRP  41          3HB       TRP  41  10.286  -1.732  -3.489
  309    HD1  TRP  41          1HD       TRP  41  10.864   0.889  -3.298
  310    HE1  TRP  41          1HE       TRP  41  11.374   2.656  -5.099
  311    HE3  TRP  41          3HE       TRP  41  11.896  -2.223  -7.219
  312    HZ2  TRP  41          2HZ       TRP  41  12.114   2.721  -7.821
  313    HZ3  TRP  41          3HZ       TRP  41  12.497  -1.228  -9.388
  314    HH2  TRP  41          2HH       TRP  41  12.603   1.193  -9.681
  315    H    PHE  42           HN       PHE  42  11.550  -1.650  -1.197
  316    HA   PHE  42           HA       PHE  42  12.956   0.838  -1.046
  317    HB2  PHE  42          2HB       PHE  42  11.424  -0.727   1.040
  318    HB3  PHE  42          3HB       PHE  42  12.080   0.886   1.297
  319    HD1  PHE  42          1HD       PHE  42  11.463   2.295  -1.137
  320    HD2  PHE  42          2HD       PHE  42   9.132  -0.561   0.990
  321    HE1  PHE  42          1HE       PHE  42   9.410   3.279  -2.073
  322    HE2  PHE  42          2HE       PHE  42   7.076   0.418   0.058
  323    HZ   PHE  42           HZ       PHE  42   7.213   2.339  -1.476
  324    H    GLN  43           HN       GLN  43  13.746  -2.400  -0.346
  325    HA   GLN  43           HA       GLN  43  15.518  -2.129   1.798
  326    HB2  GLN  43          2HB       GLN  43  15.020  -4.116  -0.319
  327    HB3  GLN  43          3HB       GLN  43  16.650  -4.136   0.340
  328    HG2  GLN  43          2HG       GLN  43  14.818  -3.961   2.503
  329    HG3  GLN  43          3HG       GLN  43  14.291  -5.253   1.426
  330   HE21  GLN  43          1HE2      GLN  43  14.835  -6.955   2.695
  331   HE22  GLN  43          2HE2      GLN  43  16.458  -7.351   3.133
  332    H    ARG  44           HN       ARG  44  15.913  -1.474  -1.615
  333    HA   ARG  44           HA       ARG  44  18.693  -0.647  -1.097
  334    HB2  ARG  44          2HB       ARG  44  17.661  -1.187  -3.856
  335    HB3  ARG  44          3HB       ARG  44  19.308  -1.275  -3.249
  336    HG2  ARG  44          2HG       ARG  44  18.095  -3.213  -1.781
  337    HG3  ARG  44          3HG       ARG  44  17.207  -3.310  -3.303
  338    HD2  ARG  44          2HD       ARG  44  19.061  -4.799  -3.457
  339    HD3  ARG  44          3HD       ARG  44  19.409  -3.410  -4.485
  340    HE   ARG  44           HE       ARG  44  21.173  -2.879  -3.121
  341   HH11  ARG  44          1HH1      ARG  44  19.143  -5.215  -1.526
  342   HH12  ARG  44          2HH1      ARG  44  20.256  -5.488  -0.226
  343   HH21  ARG  44          1HH2      ARG  44  22.646  -3.229  -1.414
  344   HH22  ARG  44          2HH2      ARG  44  22.247  -4.357  -0.164
  345    H    GLN  45           HN       GLN  45  15.571   0.292  -2.254
  346    HA   GLN  45           HA       GLN  45  16.630   2.953  -2.945
  347    HB2  GLN  45          2HB       GLN  45  14.442   1.300  -4.108
  348    HB3  GLN  45          3HB       GLN  45  14.230   3.045  -4.091
  349    HG2  GLN  45          2HG       GLN  45  15.161   2.463  -6.188
  350    HG3  GLN  45          3HG       GLN  45  16.430   3.247  -5.248
  351   HE21  GLN  45          1HE2      GLN  45  15.165   0.094  -6.196
  352   HE22  GLN  45          2HE2      GLN  45  16.684  -0.727  -6.157
  353    H    GLN  46           HN       GLN  46  14.819   4.683  -2.694
  354    HA   GLN  46           HA       GLN  46  13.171   4.206  -0.332
  355    HB2  GLN  46          2HB       GLN  46  15.560   5.225   0.156
  356    HB3  GLN  46          3HB       GLN  46  14.792   6.714  -0.376
  357    HG2  GLN  46          2HG       GLN  46  13.023   6.337   1.329
  358    HG3  GLN  46          3HG       GLN  46  13.954   4.961   1.918
  359   HE21  GLN  46          1HE2      GLN  46  14.121   8.434   1.337
  360   HE22  GLN  46          2HE2      GLN  46  15.240   8.776   2.608
  361    H    THR  47           HN       THR  47  12.415   4.511  -3.026
  362    HA   THR  47           HA       THR  47  10.676   6.824  -2.772
  363    HB   THR  47           HB       THR  47  11.558   6.870  -5.477
  364    HG1  THR  47          1HG       THR  47  13.787   7.602  -4.906
  365   HG21  THR  47          1HG2      THR  47  12.311   8.943  -3.454
  366   HG22  THR  47          2HG2      THR  47  10.612   8.673  -3.843
  367   HG23  THR  47          3HG2      THR  47  11.743   9.149  -5.110
  368    H    CYS  48           HN       CYS  48   8.792   6.687  -4.015
  369    HA   CYS  48           HA       CYS  48   7.704   4.192  -4.437
  370    HB2  CYS  48          2HB       CYS  48   6.777   6.765  -4.589
  371    HB3  CYS  48          3HB       CYS  48   6.676   6.250  -6.269
  372    HA   PRO  49           HA       PRO  49   9.569   2.705  -8.146
  373    HB2  PRO  49          2HB       PRO  49   7.738   0.800  -8.766
  374    HB3  PRO  49          3HB       PRO  49   8.907   0.617  -7.453
  375    HG2  PRO  49          2HG       PRO  49   6.027   1.429  -7.327
  376    HG3  PRO  49          3HG       PRO  49   6.924   0.317  -6.276
  377    HD2  PRO  49          2HD       PRO  49   6.386   2.875  -5.570
  378    HD3  PRO  49          3HD       PRO  49   7.858   2.031  -5.049
  379    H    THR  50           HN       THR  50   6.861   4.587  -8.013
  380    HA   THR  50           HA       THR  50   6.683   4.691 -10.945
  381    HB   THR  50           HB       THR  50   4.712   3.459 -10.019
  382    HG1  THR  50          1HG       THR  50   3.170   5.064 -11.064
  383   HG21  THR  50          1HG2      THR  50   3.054   4.593  -8.727
  384   HG22  THR  50          2HG2      THR  50   3.916   6.126  -8.861
  385   HG23  THR  50          3HG2      THR  50   4.598   4.812  -7.904
  386    H    CYS  51           HN       CYS  51   5.730   6.341  -7.934
  387    HA   CYS  51           HA       CYS  51   5.953   8.918  -9.301
  388    HB2  CYS  51          2HB       CYS  51   4.628   9.835  -7.620
  389    HB3  CYS  51          3HB       CYS  51   3.979   8.204  -7.765
  390    H    ARG  52           HN       ARG  52   7.900   6.866  -7.602
  391    HA   ARG  52           HA       ARG  52   9.705   7.132  -6.177
  392    HB2  ARG  52          2HB       ARG  52  10.514   9.352  -8.016
  393    HB3  ARG  52          3HB       ARG  52  11.487   8.048  -7.350
  394    HG2  ARG  52          2HG       ARG  52   9.297   7.455  -9.294
  395    HG3  ARG  52          3HG       ARG  52  10.872   8.018  -9.855
  396    HD2  ARG  52          2HD       ARG  52  11.181   5.932  -7.897
  397    HD3  ARG  52          3HD       ARG  52  10.124   5.399  -9.203
  398    HE   ARG  52           HE       ARG  52  12.938   5.823  -9.345
  399   HH11  ARG  52          1HH1      ARG  52   9.987   5.984 -11.184
  400   HH12  ARG  52          2HH1      ARG  52  10.772   5.744 -12.711
  401   HH21  ARG  52          1HH2      ARG  52  13.984   5.507 -11.348
  402   HH22  ARG  52          2HH2      ARG  52  13.045   5.472 -12.802
  403    H    MET  53           HN       MET  53   8.025   8.195  -4.634
  404    HA   MET  53           HA       MET  53   9.079  10.845  -3.906
  405    HB2  MET  53          2HB       MET  53   6.675  10.743  -4.881
  406    HB3  MET  53          3HB       MET  53   6.242  10.052  -3.323
  407    HG2  MET  53          2HG       MET  53   7.400  12.114  -2.320
  408    HG3  MET  53          3HG       MET  53   7.274  12.789  -3.943
  409    HE1  MET  53          1HE       MET  53   4.473  10.441  -2.094
  410    HE2  MET  53          2HE       MET  53   5.518  11.281  -0.948
  411    HE3  MET  53          3HE       MET  53   3.825  11.751  -1.106
  412    H    ASP  54           HN       ASP  54  10.055  10.804  -2.002
  413    HA   ASP  54           HA       ASP  54  10.458   8.767  -0.312
  414    HB2  ASP  54          2HB       ASP  54  11.623  10.709   0.232
  415    HB3  ASP  54          3HB       ASP  54  10.166  11.699   0.243
  416    H    VAL  55           HN       VAL  55   9.308   7.481   0.968
  417    HA   VAL  55           HA       VAL  55   6.651   8.399   1.857
  418    HB   VAL  55           HB       VAL  55   6.000   5.942   1.782
  419   HG11  VAL  55          1HG1      VAL  55   5.820   7.948  -0.095
  420   HG12  VAL  55          2HG1      VAL  55   6.438   6.581  -1.024
  421   HG13  VAL  55          3HG1      VAL  55   4.932   6.425  -0.118
  422   HG21  VAL  55          1HG2      VAL  55   8.029   4.800   1.575
  423   HG22  VAL  55          2HG2      VAL  55   7.310   4.686  -0.032
  424   HG23  VAL  55          3HG2      VAL  55   8.596   5.853   0.278
  425    H    LEU  56           HN       LEU  56   9.224   6.023   2.508
  426    HA   LEU  56           HA       LEU  56   8.466   5.243   5.047
  427    HB2  LEU  56          2HB       LEU  56  11.103   5.463   3.666
  428    HB3  LEU  56          3HB       LEU  56  11.056   5.047   5.378
  429    HG   LEU  56           HG       LEU  56   9.306   3.241   4.409
  430   HD11  LEU  56          1HD1      LEU  56  11.400   3.319   2.268
  431   HD12  LEU  56          2HD1      LEU  56   9.869   4.175   2.082
  432   HD13  LEU  56          3HD1      LEU  56   9.879   2.426   2.307
  433   HD21  LEU  56          1HD2      LEU  56  11.694   1.929   4.090
  434   HD22  LEU  56          2HD2      LEU  56  10.844   2.162   5.619
  435   HD23  LEU  56          3HD2      LEU  56  12.128   3.275   5.145
  Start of MODEL    3
    1    H1   ALA   1           HN       ALA   1  -4.216  -3.561   0.254
    2    HA   ALA   1           HA       ALA   1  -6.101  -1.923  -0.526
    3    HB1  ALA   1          1HB       ALA   1  -5.436  -2.317  -2.949
    4    HB2  ALA   1          2HB       ALA   1  -4.136  -1.945  -1.815
    5    HB3  ALA   1          3HB       ALA   1  -4.400  -3.608  -2.340
    6    H    THR   2           HN       THR   2  -7.996  -1.828  -1.718
    7    HA   THR   2           HA       THR   2  -9.501  -4.325  -1.808
    8    HB   THR   2           HB       THR   2 -11.238  -2.348  -2.634
    9    HG1  THR   2          1HG       THR   2 -10.485  -0.952  -0.537
   10   HG21  THR   2          1HG2      THR   2 -11.394  -4.188  -0.832
   11   HG22  THR   2          2HG2      THR   2 -12.317  -2.704  -0.594
   12   HG23  THR   2          3HG2      THR   2 -10.802  -2.949   0.273
   13    HA   PRO   3           HA       PRO   3  -9.584  -4.800  -6.170
   14    HB2  PRO   3          2HB       PRO   3 -12.185  -5.383  -6.688
   15    HB3  PRO   3          3HB       PRO   3 -11.089  -6.512  -5.882
   16    HG2  PRO   3          2HG       PRO   3 -13.140  -4.685  -4.691
   17    HG3  PRO   3          3HG       PRO   3 -12.774  -6.372  -4.286
   18    HD2  PRO   3          2HD       PRO   3 -11.872  -4.290  -2.808
   19    HD3  PRO   3          3HD       PRO   3 -10.954  -5.799  -2.992
   20    H    GLU   4           HN       GLU   4 -12.317  -2.825  -5.022
   21    HA   GLU   4           HA       GLU   4 -12.874  -1.538  -7.442
   22    HB2  GLU   4          2HB       GLU   4 -13.974  -1.510  -4.950
   23    HB3  GLU   4          3HB       GLU   4 -13.236   0.084  -5.010
   24    HG2  GLU   4          2HG       GLU   4 -14.423   0.295  -7.291
   25    HG3  GLU   4          3HG       GLU   4 -15.406  -1.052  -6.719
   26    H    GLU   5           HN       GLU   5 -10.703  -0.622  -4.793
   27    HA   GLU   5           HA       GLU   5  -9.877   1.817  -6.043
   28    HB2  GLU   5          2HB       GLU   5  -8.483   0.294  -3.837
   29    HB3  GLU   5          3HB       GLU   5  -8.277   1.992  -4.242
   30    HG2  GLU   5          2HG       GLU   5 -11.042   1.348  -3.692
   31    HG3  GLU   5          3HG       GLU   5  -9.985   0.934  -2.343
   32    H    LEU   6           HN       LEU   6  -8.675  -1.479  -5.931
   33    HA   LEU   6           HA       LEU   6  -6.126  -0.974  -7.046
   34    HB2  LEU   6          2HB       LEU   6  -7.840  -3.350  -6.605
   35    HB3  LEU   6          3HB       LEU   6  -6.552  -3.500  -7.798
   36    HG   LEU   6           HG       LEU   6  -6.018  -2.573  -4.990
   37   HD11  LEU   6          1HD1      LEU   6  -6.344  -5.354  -6.042
   38   HD12  LEU   6          2HD1      LEU   6  -6.944  -4.649  -4.541
   39   HD13  LEU   6          3HD1      LEU   6  -5.228  -5.013  -4.720
   40   HD21  LEU   6          1HD2      LEU   6  -3.762  -3.269  -5.479
   41   HD22  LEU   6          2HD2      LEU   6  -4.315  -2.167  -6.738
   42   HD23  LEU   6          3HD2      LEU   6  -4.259  -3.903  -7.047
   43    H    GLN   7           HN       GLN   7  -9.217  -1.946  -8.494
   44    HA   GLN   7           HA       GLN   7  -8.233  -2.105 -11.148
   45    HB2  GLN   7          2HB       GLN   7 -10.594  -2.763  -9.877
   46    HB3  GLN   7          3HB       GLN   7 -11.064  -1.418 -10.907
   47    HG2  GLN   7          2HG       GLN   7  -9.494  -3.035 -12.532
   48    HG3  GLN   7          3HG       GLN   7 -10.485  -4.154 -11.598
   49   HE21  GLN   7          1HE2      GLN   7 -12.848  -3.236 -11.380
   50   HE22  GLN   7          2HE2      GLN   7 -13.569  -2.786 -12.884
   51    H    ALA   8           HN       ALA   8  -8.549   0.516  -9.177
   52    HA   ALA   8           HA       ALA   8  -9.318   2.375 -11.303
   53    HB1  ALA   8          1HB       ALA   8  -8.679   3.093  -8.454
   54    HB2  ALA   8          2HB       ALA   8  -9.617   4.012  -9.633
   55    HB3  ALA   8          3HB       ALA   8 -10.271   2.520  -8.957
   56    H    MET   9           HN       MET   9  -6.630   0.846 -10.749
   57    HA   MET   9           HA       MET   9  -4.966   3.034 -11.663
   58    HB2  MET   9          2HB       MET   9  -3.238   2.698  -9.960
   59    HB3  MET   9          3HB       MET   9  -4.752   3.219  -9.233
   60    HG2  MET   9          2HG       MET   9  -4.948   1.358  -8.026
   61    HG3  MET   9          3HG       MET   9  -4.482   0.324  -9.375
   62    HE1  MET   9          1HE       MET   9  -2.244  -0.454  -9.940
   63    HE2  MET   9          2HE       MET   9  -1.486   1.124 -10.152
   64    HE3  MET   9          3HE       MET   9  -0.736  -0.082  -9.104
   65    H    ASP  10           HN       ASP  10  -6.010   0.415 -12.611
   66    HA   ASP  10           HA       ASP  10  -5.221  -1.133 -14.106
   67    HB2  ASP  10          2HB       ASP  10  -3.294   0.621 -14.343
   68    HB3  ASP  10          3HB       ASP  10  -2.376  -0.531 -13.377
   69    H    ASN  11           HN       ASN  11  -4.579  -0.984 -10.830
   70    HA   ASN  11           HA       ASN  11  -3.866  -2.495  -9.249
   71    HB2  ASN  11          2HB       ASN  11  -5.303  -4.338  -9.117
   72    HB3  ASN  11          3HB       ASN  11  -6.216  -3.188 -10.088
   73   HD21  ASN  11          1HD2      ASN  11  -4.763  -6.264  -9.958
   74   HD22  ASN  11          2HD2      ASN  11  -5.149  -6.772 -11.564
   75    H    VAL  12           HN       VAL  12  -1.991  -2.203 -11.412
   76    HA   VAL  12           HA       VAL  12  -0.840  -4.918 -11.475
   77    HB   VAL  12           HB       VAL  12  -0.834  -2.747 -13.540
   78   HG11  VAL  12          1HG1      VAL  12   1.517  -3.237 -13.166
   79   HG12  VAL  12          2HG1      VAL  12   1.201  -4.965 -13.333
   80   HG13  VAL  12          3HG1      VAL  12   0.990  -3.891 -14.716
   81   HG21  VAL  12          1HG2      VAL  12  -1.961  -4.226 -14.788
   82   HG22  VAL  12          2HG2      VAL  12  -0.896  -5.558 -14.339
   83   HG23  VAL  12          3HG2      VAL  12  -2.222  -5.094 -13.275
   84    H    CYS  13           HN       CYS  13   1.053  -5.188 -10.489
   85    HA   CYS  13           HA       CYS  13   2.303  -3.054  -9.092
   86    HB2  CYS  13          2HB       CYS  13   2.363  -5.309  -8.199
   87    HB3  CYS  13          3HB       CYS  13   3.222  -5.887  -9.623
   88    H    ILE  14           HN       ILE  14   3.577  -1.560  -9.943
   89    HA   ILE  14           HA       ILE  14   4.667  -1.723 -12.548
   90    HB   ILE  14           HB       ILE  14   4.103   0.378 -11.138
   91   HG12  ILE  14          2HG1      ILE  14   4.941   0.552 -13.388
   92   HG13  ILE  14          3HG1      ILE  14   5.830   1.695 -12.387
   93   HG21  ILE  14          1HG2      ILE  14   6.963  -0.078 -10.295
   94   HG22  ILE  14          2HG2      ILE  14   6.004   1.365  -9.972
   95   HG23  ILE  14          3HG2      ILE  14   5.549  -0.176  -9.245
   96   HD11  ILE  14          1HD1      ILE  14   7.493   0.756 -13.665
   97   HD12  ILE  14          2HD1      ILE  14   7.563  -0.223 -12.198
   98   HD13  ILE  14          3HD1      ILE  14   6.757  -0.846 -13.637
   99    H    ILE  15           HN       ILE  15   6.136  -1.992  -9.326
  100    HA   ILE  15           HA       ILE  15   8.763  -2.119  -9.730
  101    HB   ILE  15           HB       ILE  15   7.222  -4.235  -8.221
  102   HG12  ILE  15          2HG1      ILE  15   8.610  -1.943  -6.910
  103   HG13  ILE  15          3HG1      ILE  15   7.080  -1.624  -7.719
  104   HG21  ILE  15          1HG2      ILE  15   9.562  -4.000  -6.907
  105   HG22  ILE  15          2HG2      ILE  15   9.255  -5.206  -8.155
  106   HG23  ILE  15          3HG2      ILE  15  10.101  -3.712  -8.561
  107   HD11  ILE  15          1HD1      ILE  15   6.169  -3.576  -6.337
  108   HD12  ILE  15          2HD1      ILE  15   7.627  -3.382  -5.363
  109   HD13  ILE  15          3HD1      ILE  15   6.486  -2.048  -5.517
  110    H    CYS  16           HN       CYS  16   6.580  -4.821 -10.504
  111    HA   CYS  16           HA       CYS  16   8.711  -5.932 -12.210
  112    HB2  CYS  16          2HB       CYS  16   7.644  -8.143 -11.862
  113    HB3  CYS  16          3HB       CYS  16   8.226  -7.430 -10.362
  114    H    ARG  17           HN       ARG  17   5.849  -4.314 -12.281
  115    HA   ARG  17           HA       ARG  17   4.177  -4.015 -13.806
  116    HB2  ARG  17          2HB       ARG  17   6.572  -4.691 -15.488
  117    HB3  ARG  17          3HB       ARG  17   5.015  -4.365 -16.239
  118    HG2  ARG  17          2HG       ARG  17   5.200  -2.230 -14.616
  119    HG3  ARG  17          3HG       ARG  17   6.910  -2.533 -14.932
  120    HD2  ARG  17          2HD       ARG  17   4.816  -2.300 -17.083
  121    HD3  ARG  17          3HD       ARG  17   5.809  -0.953 -16.531
  122    HE   ARG  17           HE       ARG  17   7.444  -3.136 -17.274
  123   HH11  ARG  17          1HH1      ARG  17   5.446  -0.630 -18.633
  124   HH12  ARG  17          2HH1      ARG  17   6.325  -0.556 -20.123
  125   HH21  ARG  17          1HH2      ARG  17   8.610  -3.048 -19.233
  126   HH22  ARG  17          2HH2      ARG  17   8.124  -1.932 -20.464
  127    H    GLU  18           HN       GLU  18   3.412  -6.131 -12.654
  128    HA   GLU  18           HA       GLU  18   2.901  -8.137 -14.751
  129    HB2  GLU  18          2HB       GLU  18   3.367  -8.521 -11.799
  130    HB3  GLU  18          3HB       GLU  18   2.608  -9.753 -12.797
  131    HG2  GLU  18          2HG       GLU  18   5.278  -8.599 -13.509
  132    HG3  GLU  18          3HG       GLU  18   5.121  -9.923 -12.356
  133    H    GLU  19           HN       GLU  19   1.458  -8.252 -11.590
  134    HA   GLU  19           HA       GLU  19  -0.900  -6.801 -12.159
  135    HB2  GLU  19          2HB       GLU  19  -0.818  -9.268 -13.443
  136    HB3  GLU  19          3HB       GLU  19  -1.793  -9.564 -12.009
  137    HG2  GLU  19          2HG       GLU  19  -3.514  -8.765 -13.148
  138    HG3  GLU  19          3HG       GLU  19  -2.770  -7.174 -12.997
  139    H    MET  20           HN       MET  20  -2.315  -6.721 -10.399
  140    HA   MET  20           HA       MET  20  -1.435  -8.202  -8.009
  141    HB2  MET  20          2HB       MET  20  -1.989  -5.295  -8.384
  142    HB3  MET  20          3HB       MET  20  -2.405  -6.029  -6.841
  143    HG2  MET  20          2HG       MET  20  -0.140  -6.697  -6.472
  144    HG3  MET  20          3HG       MET  20   0.322  -6.189  -8.096
  145    HE1  MET  20          1HE       MET  20   0.405  -2.584  -8.209
  146    HE2  MET  20          2HE       MET  20  -0.454  -3.949  -8.923
  147    HE3  MET  20          3HE       MET  20  -1.309  -2.824  -7.865
  148    H    VAL  21           HN       VAL  21  -3.018  -9.750  -8.036
  149    HA   VAL  21           HA       VAL  21  -5.813  -8.913  -8.221
  150    HB   VAL  21           HB       VAL  21  -6.214 -11.440  -8.067
  151   HG11  VAL  21          1HG1      VAL  21  -4.611 -10.932 -10.498
  152   HG12  VAL  21          2HG1      VAL  21  -6.266 -11.523 -10.330
  153   HG13  VAL  21          3HG1      VAL  21  -5.922  -9.801 -10.165
  154   HG21  VAL  21          1HG2      VAL  21  -4.450 -12.929  -8.367
  155   HG22  VAL  21          2HG2      VAL  21  -3.345 -11.665  -8.904
  156   HG23  VAL  21          3HG2      VAL  21  -3.805 -11.769  -7.205
  157    H    THR  22           HN       THR  22  -3.460  -9.970  -5.913
  158    HA   THR  22           HA       THR  22  -5.007  -9.221  -3.694
  159    HB   THR  22           HB       THR  22  -6.272 -11.287  -4.264
  160    HG1  THR  22          1HG       THR  22  -6.190 -12.100  -2.114
  161   HG21  THR  22          1HG2      THR  22  -4.280 -12.535  -5.140
  162   HG22  THR  22          2HG2      THR  22  -5.284 -13.454  -4.019
  163   HG23  THR  22          3HG2      THR  22  -3.761 -12.756  -3.469
  164    H    GLY  23           HN       GLY  23  -3.878  -9.433  -1.704
  165    HA2  GLY  23          1HA       GLY  23  -2.047  -9.865  -0.338
  166    HA3  GLY  23          2HA       GLY  23  -1.313 -10.767  -1.654
  167    H    ALA  24           HN       ALA  24  -2.402  -7.390  -1.350
  168    HA   ALA  24           HA       ALA  24   0.358  -6.492  -1.702
  169    HB1  ALA  24          1HB       ALA  24  -0.370  -4.878  -3.463
  170    HB2  ALA  24          2HB       ALA  24  -0.413  -6.570  -3.962
  171    HB3  ALA  24          3HB       ALA  24  -1.909  -5.737  -3.537
  172    H    LYS  25           HN       LYS  25   0.643  -4.198  -1.242
  173    HA   LYS  25           HA       LYS  25  -1.376  -3.235   0.673
  174    HB2  LYS  25          2HB       LYS  25   1.515  -2.382   0.552
  175    HB3  LYS  25          3HB       LYS  25   0.369  -2.128   1.862
  176    HG2  LYS  25          2HG       LYS  25   1.501  -4.778   0.986
  177    HG3  LYS  25          3HG       LYS  25   1.966  -3.865   2.424
  178    HD2  LYS  25          2HD       LYS  25  -0.850  -4.151   2.471
  179    HD3  LYS  25          3HD       LYS  25  -0.163  -5.735   2.101
  180    HE2  LYS  25          2HE       LYS  25  -0.056  -5.841   4.367
  181    HE3  LYS  25          3HE       LYS  25   1.483  -5.035   4.071
  182    HZ1  LYS  25          1HZ       LYS  25  -0.643  -4.118   5.602
  183    HZ2  LYS  25          2HZ       LYS  25  -0.572  -3.114   4.242
  184    HZ3  LYS  25          3HZ       LYS  25   0.790  -3.298   5.230
  185    H    ARG  26           HN       ARG  26  -1.166  -0.729   0.954
  186    HA   ARG  26           HA       ARG  26  -1.073   0.490  -1.727
  187    HB2  ARG  26          2HB       ARG  26  -3.389   0.249  -1.000
  188    HB3  ARG  26          3HB       ARG  26  -3.021   1.068   0.512
  189    HG2  ARG  26          2HG       ARG  26  -2.480   3.109  -0.748
  190    HG3  ARG  26          3HG       ARG  26  -2.919   2.279  -2.242
  191    HD2  ARG  26          2HD       ARG  26  -4.673   3.786  -1.105
  192    HD3  ARG  26          3HD       ARG  26  -5.172   2.198  -1.683
  193    HE   ARG  26           HE       ARG  26  -5.571   1.573   0.484
  194   HH11  ARG  26          1HH1      ARG  26  -3.650   4.476   0.464
  195   HH12  ARG  26          2HH1      ARG  26  -3.776   4.726   2.174
  196   HH21  ARG  26          1HH2      ARG  26  -5.744   1.891   2.736
  197   HH22  ARG  26          2HH2      ARG  26  -4.966   3.255   3.465
  198    H    LEU  27           HN       LEU  27  -0.299   2.600  -1.879
  199    HA   LEU  27           HA       LEU  27   1.315   3.454   0.413
  200    HB2  LEU  27          2HB       LEU  27   1.449   4.075  -2.525
  201    HB3  LEU  27          3HB       LEU  27   2.389   4.958  -1.324
  202    HG   LEU  27           HG       LEU  27   2.602   2.008  -1.919
  203   HD11  LEU  27          1HD1      LEU  27   4.488   2.441  -3.142
  204   HD12  LEU  27          2HD1      LEU  27   4.793   3.980  -2.337
  205   HD13  LEU  27          3HD1      LEU  27   3.513   3.854  -3.543
  206   HD21  LEU  27          1HD2      LEU  27   4.732   2.395  -0.481
  207   HD22  LEU  27          2HD2      LEU  27   3.177   2.145   0.314
  208   HD23  LEU  27          3HD2      LEU  27   3.834   3.775   0.153
  209    HA   PRO  28           HA       PRO  28  -1.155   6.989   1.242
  210    HB2  PRO  28          2HB       PRO  28   0.731   8.754   2.076
  211    HB3  PRO  28          3HB       PRO  28   0.214   7.370   3.046
  212    HG2  PRO  28          2HG       PRO  28   2.636   7.668   1.312
  213    HG3  PRO  28          3HG       PRO  28   2.499   6.952   2.929
  214    HD2  PRO  28          2HD       PRO  28   2.603   5.454   0.675
  215    HD3  PRO  28          3HD       PRO  28   1.686   4.955   2.113
  216    H    CYS  29           HN       CYS  29   0.862   6.818  -1.370
  217    HA   CYS  29           HA       CYS  29   0.303   9.578  -2.224
  218    HB2  CYS  29          2HB       CYS  29   2.035   9.016  -4.030
  219    HB3  CYS  29          3HB       CYS  29   2.625   9.227  -2.384
  220    H    ASN  30           HN       ASN  30  -1.004   6.609  -2.451
  221    HA   ASN  30           HA       ASN  30  -2.762   5.895  -3.752
  222    HB2  ASN  30          2HB       ASN  30  -2.840   8.454  -4.404
  223    HB3  ASN  30          3HB       ASN  30  -2.161   7.866  -5.920
  224   HD21  ASN  30          1HD2      ASN  30  -4.947   8.101  -3.947
  225   HD22  ASN  30          2HD2      ASN  30  -6.053   7.331  -5.028
  226    H    HIS  31           HN       HIS  31  -0.501   4.522  -3.777
  227    HA   HIS  31           HA       HIS  31  -0.399   3.488  -6.486
  228    HB2  HIS  31          2HB       HIS  31   2.103   4.415  -5.059
  229    HB3  HIS  31          3HB       HIS  31   2.071   3.509  -6.569
  230    HD2  HIS  31          2HD       HIS  31   0.198   5.147  -8.466
  231    HE1  HIS  31          1HE       HIS  31   2.214   8.640  -7.150
  232    HE2  HIS  31          2HE       HIS  31   0.655   7.661  -8.869
  233    H    ILE  32           HN       ILE  32  -0.941   1.439  -6.117
  234    HA   ILE  32           HA       ILE  32   0.047   0.083  -3.723
  235    HB   ILE  32           HB       ILE  32  -2.054  -0.671  -5.750
  236   HG12  ILE  32          2HG1      ILE  32  -2.624  -0.600  -2.853
  237   HG13  ILE  32          3HG1      ILE  32  -2.238   0.956  -3.578
  238   HG21  ILE  32          1HG2      ILE  32  -1.658  -2.808  -5.278
  239   HG22  ILE  32          2HG2      ILE  32  -0.487  -2.381  -4.031
  240   HG23  ILE  32          3HG2      ILE  32  -2.203  -2.470  -3.635
  241   HD11  ILE  32          1HD1      ILE  32  -4.133  -0.562  -5.162
  242   HD12  ILE  32          2HD1      ILE  32  -4.705  -0.250  -3.523
  243   HD13  ILE  32          3HD1      ILE  32  -4.224   1.093  -4.559
  244    H    PHE  33           HN       PHE  33   1.429  -1.617  -3.752
  245    HA   PHE  33           HA       PHE  33   2.205  -2.802  -6.302
  246    HB2  PHE  33          2HB       PHE  33   4.258  -1.648  -4.406
  247    HB3  PHE  33          3HB       PHE  33   4.573  -2.437  -5.949
  248    HD1  PHE  33          1HD       PHE  33   3.762  -1.328  -8.059
  249    HD2  PHE  33          2HD       PHE  33   3.819   0.646  -4.289
  250    HE1  PHE  33          1HE       PHE  33   3.634   0.849  -9.200
  251    HE2  PHE  33          2HE       PHE  33   3.690   2.826  -5.424
  252    HZ   PHE  33           HZ       PHE  33   3.596   2.929  -7.883
  253    H    HIS  34           HN       HIS  34   3.179  -4.847  -6.119
  254    HA   HIS  34           HA       HIS  34   2.233  -6.622  -4.333
  255    HB2  HIS  34          2HB       HIS  34   4.897  -6.591  -5.738
  256    HB3  HIS  34          3HB       HIS  34   4.394  -7.954  -4.743
  257    HD2  HIS  34          2HD       HIS  34   1.258  -8.084  -5.841
  258    HE1  HIS  34          1HE       HIS  34   3.125  -8.684  -9.603
  259    HE2  HIS  34          2HE       HIS  34   0.971  -8.819  -8.304
  260    H    THR  35           HN       THR  35   2.630  -7.329  -2.297
  261    HA   THR  35           HA       THR  35   3.990  -5.596  -0.504
  262    HB   THR  35           HB       THR  35   3.071  -8.415   0.075
  263    HG1  THR  35          1HG       THR  35   1.077  -7.507   0.559
  264   HG21  THR  35          1HG2      THR  35   4.411  -6.526   1.646
  265   HG22  THR  35          2HG2      THR  35   3.609  -7.996   2.199
  266   HG23  THR  35          3HG2      THR  35   2.730  -6.468   2.174
  267    H    SER  36           HN       SER  36   5.014  -8.223  -2.426
  268    HA   SER  36           HA       SER  36   7.340  -8.777  -0.749
  269    HB2  SER  36          2HB       SER  36   7.329 -10.165  -3.290
  270    HB3  SER  36          3HB       SER  36   7.286 -10.827  -1.656
  271    HG   SER  36           HG       SER  36   5.241 -10.410  -3.443
  272    H    CYS  37           HN       CYS  37   6.428  -7.000  -3.546
  273    HA   CYS  37           HA       CYS  37   9.121  -6.780  -4.590
  274    HB2  CYS  37          2HB       CYS  37   6.513  -5.470  -5.377
  275    HB3  CYS  37          3HB       CYS  37   8.044  -5.156  -6.188
  276    H    LEU  38           HN       LEU  38   6.912  -4.915  -2.618
  277    HA   LEU  38           HA       LEU  38   8.382  -2.478  -2.708
  278    HB2  LEU  38          2HB       LEU  38   6.209  -3.570  -0.967
  279    HB3  LEU  38          3HB       LEU  38   7.029  -2.073  -0.528
  280    HG   LEU  38           HG       LEU  38   5.350  -2.605  -2.973
  281   HD11  LEU  38          1HD1      LEU  38   3.778  -1.236  -2.044
  282   HD12  LEU  38          2HD1      LEU  38   4.958  -0.340  -1.088
  283   HD13  LEU  38          3HD1      LEU  38   4.454  -1.953  -0.581
  284   HD21  LEU  38          1HD2      LEU  38   7.155  -1.308  -3.775
  285   HD22  LEU  38          2HD2      LEU  38   7.173  -0.299  -2.329
  286   HD23  LEU  38          3HD2      LEU  38   5.837  -0.177  -3.475
  287    H    ARG  39           HN       ARG  39   8.359  -5.270  -0.557
  288    HA   ARG  39           HA       ARG  39   9.967  -4.226   1.487
  289    HB2  ARG  39          2HB       ARG  39  10.493  -6.624   1.986
  290    HB3  ARG  39          3HB       ARG  39   8.775  -6.270   1.857
  291    HG2  ARG  39          2HG       ARG  39   8.828  -7.130  -0.470
  292    HG3  ARG  39          3HG       ARG  39  10.508  -7.602  -0.212
  293    HD2  ARG  39          2HD       ARG  39   9.668  -8.925   1.787
  294    HD3  ARG  39          3HD       ARG  39   8.045  -8.649   1.158
  295    HE   ARG  39           HE       ARG  39   9.612  -9.697  -0.904
  296   HH11  ARG  39          1HH1      ARG  39   8.298 -10.665   2.171
  297   HH12  ARG  39          2HH1      ARG  39   8.188 -12.341   1.744
  298   HH21  ARG  39          1HH2      ARG  39   9.474 -11.901  -1.478
  299   HH22  ARG  39          2HH2      ARG  39   8.859 -13.042  -0.331
  300    H    SER  40           HN       SER  40  10.869  -6.144  -1.374
  301    HA   SER  40           HA       SER  40  13.679  -5.883  -0.835
  302    HB2  SER  40          2HB       SER  40  12.116  -7.585  -2.388
  303    HB3  SER  40          3HB       SER  40  13.021  -6.637  -3.568
  304    HG   SER  40           HG       SER  40  14.311  -8.338  -3.039
  305    H    TRP  41           HN       TRP  41  11.309  -4.001  -2.416
  306    HA   TRP  41           HA       TRP  41  13.086  -2.658  -4.231
  307    HB2  TRP  41          2HB       TRP  41  10.787  -2.761  -4.867
  308    HB3  TRP  41          3HB       TRP  41  10.263  -2.097  -3.321
  309    HD1  TRP  41          1HD       TRP  41  10.398   0.538  -3.005
  310    HE1  TRP  41          1HE       TRP  41  10.696   2.476  -4.674
  311    HE3  TRP  41          3HE       TRP  41  11.978  -2.129  -7.070
  312    HZ2  TRP  41          2HZ       TRP  41  11.494   2.825  -7.358
  313    HZ3  TRP  41          3HZ       TRP  41  12.487  -0.917  -9.151
  314    HH2  TRP  41          2HH       TRP  41  12.249   1.508  -9.290
  315    H    PHE  42           HN       PHE  42  11.488  -1.787  -1.174
  316    HA   PHE  42           HA       PHE  42  12.839   0.733  -0.995
  317    HB2  PHE  42          2HB       PHE  42  11.111  -0.847   0.898
  318    HB3  PHE  42          3HB       PHE  42  11.904   0.642   1.401
  319    HD1  PHE  42          1HD       PHE  42  11.638   2.422  -0.817
  320    HD2  PHE  42          2HD       PHE  42   8.864  -0.457   0.645
  321    HE1  PHE  42          1HE       PHE  42   9.783   3.731  -1.766
  322    HE2  PHE  42          2HE       PHE  42   7.006   0.847  -0.302
  323    HZ   PHE  42           HZ       PHE  42   7.464   2.943  -1.510
  324    H    GLN  43           HN       GLN  43  13.684  -2.472  -0.286
  325    HA   GLN  43           HA       GLN  43  15.309  -2.220   1.963
  326    HB2  GLN  43          2HB       GLN  43  15.097  -4.114  -0.298
  327    HB3  GLN  43          3HB       GLN  43  16.632  -4.114   0.559
  328    HG2  GLN  43          2HG       GLN  43  14.289  -4.154   2.307
  329    HG3  GLN  43          3HG       GLN  43  14.438  -5.563   1.257
  330   HE21  GLN  43          1HE2      GLN  43  15.375  -7.172   2.271
  331   HE22  GLN  43          2HE2      GLN  43  16.698  -7.057   3.376
  332    H    ARG  44           HN       ARG  44  15.840  -1.257  -1.332
  333    HA   ARG  44           HA       ARG  44  18.526  -0.308  -0.578
  334    HB2  ARG  44          2HB       ARG  44  17.669  -1.209  -3.333
  335    HB3  ARG  44          3HB       ARG  44  19.279  -0.686  -2.853
  336    HG2  ARG  44          2HG       ARG  44  19.382  -2.625  -1.303
  337    HG3  ARG  44          3HG       ARG  44  17.839  -3.174  -1.964
  338    HD2  ARG  44          2HD       ARG  44  20.439  -2.828  -3.449
  339    HD3  ARG  44          3HD       ARG  44  19.628  -4.346  -3.067
  340    HE   ARG  44           HE       ARG  44  17.768  -3.095  -4.520
  341   HH11  ARG  44          1HH1      ARG  44  21.178  -3.552  -5.053
  342   HH12  ARG  44          2HH1      ARG  44  21.040  -3.557  -6.780
  343   HH21  ARG  44          1HH2      ARG  44  17.573  -3.098  -6.793
  344   HH22  ARG  44          2HH2      ARG  44  18.989  -3.297  -7.768
  345    H    GLN  45           HN       GLN  45  15.446   0.403  -1.905
  346    HA   GLN  45           HA       GLN  45  16.363   3.094  -2.675
  347    HB2  GLN  45          2HB       GLN  45  13.743   1.924  -3.551
  348    HB3  GLN  45          3HB       GLN  45  14.683   3.210  -4.296
  349    HG2  GLN  45          2HG       GLN  45  15.157   0.254  -4.385
  350    HG3  GLN  45          3HG       GLN  45  14.917   1.377  -5.722
  351   HE21  GLN  45          1HE2      GLN  45  17.057  -0.491  -5.396
  352   HE22  GLN  45          2HE2      GLN  45  18.523   0.419  -5.324
  353    H    GLN  46           HN       GLN  46  14.734   4.834  -2.335
  354    HA   GLN  46           HA       GLN  46  12.987   4.331  -0.031
  355    HB2  GLN  46          2HB       GLN  46  15.223   5.326   0.651
  356    HB3  GLN  46          3HB       GLN  46  14.747   6.773  -0.229
  357    HG2  GLN  46          2HG       GLN  46  12.575   6.315   1.372
  358    HG3  GLN  46          3HG       GLN  46  13.921   5.815   2.394
  359   HE21  GLN  46          1HE2      GLN  46  14.590   7.371   3.667
  360   HE22  GLN  46          2HE2      GLN  46  14.646   9.054   3.287
  361    H    THR  47           HN       THR  47  12.549   4.742  -2.932
  362    HA   THR  47           HA       THR  47  10.658   6.975  -2.691
  363    HB   THR  47           HB       THR  47  11.507   6.910  -5.393
  364    HG1  THR  47          1HG       THR  47  13.470   6.000  -4.686
  365   HG21  THR  47          1HG2      THR  47  12.243   8.978  -3.331
  366   HG22  THR  47          2HG2      THR  47  10.610   8.814  -3.975
  367   HG23  THR  47          3HG2      THR  47  11.948   9.213  -5.052
  368    H    CYS  48           HN       CYS  48   8.937   6.910  -4.334
  369    HA   CYS  48           HA       CYS  48   7.793   4.333  -4.517
  370    HB2  CYS  48          2HB       CYS  48   6.837   6.889  -4.705
  371    HB3  CYS  48          3HB       CYS  48   6.754   6.358  -6.382
  372    HA   PRO  49           HA       PRO  49   9.680   2.803  -8.199
  373    HB2  PRO  49          2HB       PRO  49   7.874   0.862  -8.782
  374    HB3  PRO  49          3HB       PRO  49   9.046   0.719  -7.468
  375    HG2  PRO  49          2HG       PRO  49   6.157   1.494  -7.353
  376    HG3  PRO  49          3HG       PRO  49   7.069   0.415  -6.282
  377    HD2  PRO  49          2HD       PRO  49   6.497   2.978  -5.622
  378    HD3  PRO  49          3HD       PRO  49   7.981   2.162  -5.089
  379    H    THR  50           HN       THR  50   6.971   4.671  -8.102
  380    HA   THR  50           HA       THR  50   6.788   4.719 -11.033
  381    HB   THR  50           HB       THR  50   4.837   3.460 -10.079
  382    HG1  THR  50          1HG       THR  50   3.278   5.033 -11.181
  383   HG21  THR  50          1HG2      THR  50   3.989   6.152  -9.012
  384   HG22  THR  50          2HG2      THR  50   4.665   4.868  -8.009
  385   HG23  THR  50          3HG2      THR  50   3.137   4.615  -8.852
  386    H    CYS  51           HN       CYS  51   5.807   6.386  -8.041
  387    HA   CYS  51           HA       CYS  51   5.971   8.952  -9.440
  388    HB2  CYS  51          2HB       CYS  51   4.615   9.854  -7.787
  389    HB3  CYS  51          3HB       CYS  51   4.023   8.198  -7.873
  390    H    ARG  52           HN       ARG  52   7.986   6.966  -7.767
  391    HA   ARG  52           HA       ARG  52   9.793   7.276  -6.355
  392    HB2  ARG  52          2HB       ARG  52  10.174   8.239  -8.922
  393    HB3  ARG  52          3HB       ARG  52  10.780   9.541  -7.908
  394    HG2  ARG  52          2HG       ARG  52  12.346   8.081  -6.848
  395    HG3  ARG  52          3HG       ARG  52  11.642   6.671  -7.644
  396    HD2  ARG  52          2HD       ARG  52  13.330   6.991  -9.105
  397    HD3  ARG  52          3HD       ARG  52  12.227   8.181  -9.793
  398    HE   ARG  52           HE       ARG  52  13.634   9.558  -7.900
  399   HH11  ARG  52          1HH1      ARG  52  14.465   7.651 -10.691
  400   HH12  ARG  52          2HH1      ARG  52  15.912   8.540 -11.031
  401   HH21  ARG  52          1HH2      ARG  52  15.537  10.737  -8.337
  402   HH22  ARG  52          2HH2      ARG  52  16.522  10.294  -9.690
  403    H    MET  53           HN       MET  53   7.719   8.517  -5.125
  404    HA   MET  53           HA       MET  53   8.781  11.136  -4.303
  405    HB2  MET  53          2HB       MET  53   6.434  11.037  -5.198
  406    HB3  MET  53          3HB       MET  53   6.008  10.044  -3.811
  407    HG2  MET  53          2HG       MET  53   7.342  12.388  -2.893
  408    HG3  MET  53          3HG       MET  53   6.057  12.853  -4.005
  409    HE1  MET  53          1HE       MET  53   3.451  12.822  -3.310
  410    HE2  MET  53          2HE       MET  53   3.796  11.183  -3.859
  411    HE3  MET  53          3HE       MET  53   2.870  11.441  -2.380
  412    H    ASP  54           HN       ASP  54   9.771  11.239  -2.406
  413    HA   ASP  54           HA       ASP  54  10.350   9.224  -0.701
  414    HB2  ASP  54          2HB       ASP  54  11.402  11.365  -0.429
  415    HB3  ASP  54          3HB       ASP  54   9.867  12.128  -0.026
  416    H    VAL  55           HN       VAL  55   9.198   7.866   0.485
  417    HA   VAL  55           HA       VAL  55   6.553   8.735   1.456
  418    HB   VAL  55           HB       VAL  55   6.115   6.212   1.606
  419   HG11  VAL  55          1HG1      VAL  55   5.197   6.176  -0.550
  420   HG12  VAL  55          2HG1      VAL  55   5.243   7.886  -0.116
  421   HG13  VAL  55          3HG1      VAL  55   6.462   7.216  -1.201
  422   HG21  VAL  55          1HG2      VAL  55   7.403   4.855  -0.015
  423   HG22  VAL  55          2HG2      VAL  55   8.509   6.212  -0.228
  424   HG23  VAL  55          3HG2      VAL  55   8.379   5.419   1.341
  425    H    LEU  56           HN       LEU  56   9.393   6.765   2.265
  426    HA   LEU  56           HA       LEU  56   8.576   6.361   4.980
  427    HB2  LEU  56          2HB       LEU  56  11.232   5.957   3.613
  428    HB3  LEU  56          3HB       LEU  56  10.875   5.468   5.269
  429    HG   LEU  56           HG       LEU  56   9.735   4.338   2.720
  430   HD11  LEU  56          1HD1      LEU  56  11.871   3.425   3.273
  431   HD12  LEU  56          2HD1      LEU  56  10.645   2.231   3.698
  432   HD13  LEU  56          3HD1      LEU  56  11.402   3.204   4.958
  433   HD21  LEU  56          1HD2      LEU  56   8.747   2.788   4.736
  434   HD22  LEU  56          2HD2      LEU  56   7.841   4.034   3.878
  435   HD23  LEU  56          3HD2      LEU  56   8.610   4.406   5.421
  Start of MODEL    4
    1    H1   ALA   1           HN       ALA   1  -4.424  -3.863   0.066
    2    HA   ALA   1           HA       ALA   1  -5.949  -2.217  -0.877
    3    HB1  ALA   1          1HB       ALA   1  -3.927  -2.766  -2.197
    4    HB2  ALA   1          2HB       ALA   1  -4.869  -3.964  -3.084
    5    HB3  ALA   1          3HB       ALA   1  -5.290  -2.255  -3.192
    6    H    THR   2           HN       THR   2  -7.981  -1.835  -1.521
    7    HA   THR   2           HA       THR   2  -9.848  -3.973  -1.687
    8    HB   THR   2           HB       THR   2 -11.299  -1.908  -2.616
    9    HG1  THR   2          1HG       THR   2  -9.870  -0.342  -0.926
   10   HG21  THR   2          1HG2      THR   2 -11.497  -1.278  -0.071
   11   HG22  THR   2          2HG2      THR   2 -10.489  -2.708   0.142
   12   HG23  THR   2          3HG2      THR   2 -12.056  -2.845  -0.654
   13    HA   PRO   3           HA       PRO   3 -10.041  -4.867  -5.980
   14    HB2  PRO   3          2HB       PRO   3 -12.707  -5.169  -6.395
   15    HB3  PRO   3          3HB       PRO   3 -11.736  -6.343  -5.499
   16    HG2  PRO   3          2HG       PRO   3 -13.512  -4.169  -4.460
   17    HG3  PRO   3          3HG       PRO   3 -13.345  -5.842  -3.897
   18    HD2  PRO   3          2HD       PRO   3 -12.153  -3.758  -2.646
   19    HD3  PRO   3          3HD       PRO   3 -11.433  -5.379  -2.697
   20    H    GLU   4           HN       GLU   4 -11.935  -2.184  -4.786
   21    HA   GLU   4           HA       GLU   4 -12.526  -1.143  -7.411
   22    HB2  GLU   4          2HB       GLU   4 -13.720  -0.825  -5.005
   23    HB3  GLU   4          3HB       GLU   4 -12.746   0.638  -5.060
   24    HG2  GLU   4          2HG       GLU   4 -14.120   1.604  -6.505
   25    HG3  GLU   4          3HG       GLU   4 -14.122   0.191  -7.559
   26    H    GLU   5           HN       GLU   5 -10.551  -0.013  -4.663
   27    HA   GLU   5           HA       GLU   5  -9.346   2.129  -6.012
   28    HB2  GLU   5          2HB       GLU   5  -8.193   0.502  -3.739
   29    HB3  GLU   5          3HB       GLU   5  -7.699   2.121  -4.213
   30    HG2  GLU   5          2HG       GLU   5  -9.913   2.970  -3.625
   31    HG3  GLU   5          3HG       GLU   5 -10.403   1.346  -3.143
   32    H    LEU   6           HN       LEU   6  -8.695  -1.272  -6.062
   33    HA   LEU   6           HA       LEU   6  -6.038  -1.065  -7.114
   34    HB2  LEU   6          2HB       LEU   6  -7.987  -3.247  -6.610
   35    HB3  LEU   6          3HB       LEU   6  -6.703  -3.551  -7.779
   36    HG   LEU   6           HG       LEU   6  -6.136  -2.615  -4.978
   37   HD11  LEU   6          1HD1      LEU   6  -5.569  -5.085  -4.620
   38   HD12  LEU   6          2HD1      LEU   6  -6.616  -5.390  -6.006
   39   HD13  LEU   6          3HD1      LEU   6  -7.267  -4.613  -4.563
   40   HD21  LEU   6          1HD2      LEU   6  -4.468  -4.068  -7.028
   41   HD22  LEU   6          2HD2      LEU   6  -3.939  -3.561  -5.424
   42   HD23  LEU   6          3HD2      LEU   6  -4.354  -2.351  -6.640
   43    H    GLN   7           HN       GLN   7  -9.152  -2.073  -8.533
   44    HA   GLN   7           HA       GLN   7  -8.210  -2.240 -11.179
   45    HB2  GLN   7          2HB       GLN   7 -10.689  -2.578  -9.813
   46    HB3  GLN   7          3HB       GLN   7 -10.968  -1.525 -11.193
   47    HG2  GLN   7          2HG       GLN   7  -9.604  -3.341 -12.482
   48    HG3  GLN   7          3HG       GLN   7 -10.074  -4.363 -11.125
   49   HE21  GLN   7          1HE2      GLN   7 -11.474  -2.062 -13.431
   50   HE22  GLN   7          2HE2      GLN   7 -12.950  -2.930 -13.663
   51    H    ALA   8           HN       ALA   8  -8.602   0.441  -9.234
   52    HA   ALA   8           HA       ALA   8  -9.307   2.270 -11.389
   53    HB1  ALA   8          1HB       ALA   8  -8.586   2.996  -8.559
   54    HB2  ALA   8          2HB       ALA   8  -9.486   3.955  -9.734
   55    HB3  ALA   8          3HB       ALA   8 -10.207   2.500  -9.046
   56    H    MET   9           HN       MET   9  -6.613   0.700 -10.744
   57    HA   MET   9           HA       MET   9  -4.933   2.800 -11.832
   58    HB2  MET   9          2HB       MET   9  -3.189   2.541 -10.130
   59    HB3  MET   9          3HB       MET   9  -4.685   3.136  -9.423
   60    HG2  MET   9          2HG       MET   9  -4.878   1.374  -8.081
   61    HG3  MET   9          3HG       MET   9  -4.495   0.239  -9.373
   62    HE1  MET   9          1HE       MET   9  -2.599  -0.747  -9.893
   63    HE2  MET   9          2HE       MET   9  -1.256   0.379 -10.093
   64    HE3  MET   9          3HE       MET   9  -1.159  -0.904  -8.886
   65    H    ASP  10           HN       ASP  10  -6.012   0.193 -12.672
   66    HA   ASP  10           HA       ASP  10  -5.272  -1.483 -14.041
   67    HB2  ASP  10          2HB       ASP  10  -3.257   0.291 -14.266
   68    HB3  ASP  10          3HB       ASP  10  -2.392  -1.038 -13.495
   69    H    ASN  11           HN       ASN  11  -4.683  -1.163 -10.804
   70    HA   ASN  11           HA       ASN  11  -3.910  -2.562  -9.139
   71    HB2  ASN  11          2HB       ASN  11  -5.312  -4.440  -8.907
   72    HB3  ASN  11          3HB       ASN  11  -6.260  -3.306  -9.864
   73   HD21  ASN  11          1HD2      ASN  11  -4.680  -6.350  -9.786
   74   HD22  ASN  11          2HD2      ASN  11  -5.176  -6.897 -11.347
   75    H    VAL  12           HN       VAL  12  -2.040  -2.387 -11.306
   76    HA   VAL  12           HA       VAL  12  -0.887  -5.100 -11.229
   77    HB   VAL  12           HB       VAL  12  -0.916  -3.053 -13.410
   78   HG11  VAL  12          1HG1      VAL  12   1.358  -4.761 -12.655
   79   HG12  VAL  12          2HG1      VAL  12   0.902  -4.811 -14.358
   80   HG13  VAL  12          3HG1      VAL  12   1.319  -3.274 -13.601
   81   HG21  VAL  12          1HG2      VAL  12  -2.074  -5.582 -12.965
   82   HG22  VAL  12          2HG2      VAL  12  -2.165  -4.588 -14.419
   83   HG23  VAL  12          3HG2      VAL  12  -0.882  -5.786 -14.249
   84    H    CYS  13           HN       CYS  13   1.038  -5.323 -10.285
   85    HA   CYS  13           HA       CYS  13   2.271  -3.145  -8.951
   86    HB2  CYS  13          2HB       CYS  13   2.401  -5.388  -8.032
   87    HB3  CYS  13          3HB       CYS  13   3.249  -5.960  -9.464
   88    H    ILE  14           HN       ILE  14   3.468  -1.624  -9.863
   89    HA   ILE  14           HA       ILE  14   4.522  -1.795 -12.478
   90    HB   ILE  14           HB       ILE  14   3.936   0.308 -11.083
   91   HG12  ILE  14          2HG1      ILE  14   4.730   0.477 -13.350
   92   HG13  ILE  14          3HG1      ILE  14   5.610   1.651 -12.377
   93   HG21  ILE  14          1HG2      ILE  14   5.430  -0.195  -9.211
   94   HG22  ILE  14          2HG2      ILE  14   6.820  -0.067 -10.287
   95   HG23  ILE  14          3HG2      ILE  14   5.828   1.354  -9.957
   96   HD11  ILE  14          1HD1      ILE  14   7.293   0.752 -13.634
   97   HD12  ILE  14          2HD1      ILE  14   7.370  -0.270 -12.199
   98   HD13  ILE  14          3HD1      ILE  14   6.568  -0.855 -13.657
   99    H    ILE  15           HN       ILE  15   6.064  -1.984  -9.283
  100    HA   ILE  15           HA       ILE  15   8.683  -2.057  -9.744
  101    HB   ILE  15           HB       ILE  15   7.226  -4.181  -8.165
  102   HG12  ILE  15          2HG1      ILE  15   8.588  -1.836  -6.925
  103   HG13  ILE  15          3HG1      ILE  15   7.034  -1.566  -7.704
  104   HG21  ILE  15          1HG2      ILE  15   9.624  -3.802  -6.931
  105   HG22  ILE  15          2HG2      ILE  15   9.261  -5.113  -8.053
  106   HG23  ILE  15          3HG2      ILE  15  10.069  -3.656  -8.632
  107   HD11  ILE  15          1HD1      ILE  15   6.548  -1.961  -5.451
  108   HD12  ILE  15          2HD1      ILE  15   6.165  -3.473  -6.272
  109   HD13  ILE  15          3HD1      ILE  15   7.666  -3.321  -5.359
  110    H    CYS  16           HN       CYS  16   6.571  -4.854 -10.375
  111    HA   CYS  16           HA       CYS  16   8.679  -5.932 -12.131
  112    HB2  CYS  16          2HB       CYS  16   7.737  -8.161 -11.698
  113    HB3  CYS  16          3HB       CYS  16   8.248  -7.379 -10.206
  114    H    ARG  17           HN       ARG  17   5.822  -4.346 -12.199
  115    HA   ARG  17           HA       ARG  17   4.091  -4.135 -13.676
  116    HB2  ARG  17          2HB       ARG  17   6.452  -4.813 -15.408
  117    HB3  ARG  17          3HB       ARG  17   4.871  -4.511 -16.116
  118    HG2  ARG  17          2HG       ARG  17   5.086  -2.349 -14.536
  119    HG3  ARG  17          3HG       ARG  17   6.789  -2.643 -14.895
  120    HD2  ARG  17          2HD       ARG  17   4.626  -2.453 -16.986
  121    HD3  ARG  17          3HD       ARG  17   5.643  -1.100 -16.490
  122    HE   ARG  17           HE       ARG  17   7.169  -3.378 -17.296
  123   HH11  ARG  17          1HH1      ARG  17   5.414  -0.606 -18.456
  124   HH12  ARG  17          2HH1      ARG  17   6.308  -0.495 -19.935
  125   HH21  ARG  17          1HH2      ARG  17   8.355  -3.243 -19.240
  126   HH22  ARG  17          2HH2      ARG  17   7.981  -1.995 -20.381
  127    H    GLU  18           HN       GLU  18   3.443  -6.266 -12.438
  128    HA   GLU  18           HA       GLU  18   2.950  -8.345 -14.469
  129    HB2  GLU  18          2HB       GLU  18   3.471  -8.557 -11.517
  130    HB3  GLU  18          3HB       GLU  18   2.610  -9.828 -12.373
  131    HG2  GLU  18          2HG       GLU  18   5.317  -8.844 -13.219
  132    HG3  GLU  18          3HG       GLU  18   5.087 -10.161 -12.072
  133    H    GLU  19           HN       GLU  19   1.460  -8.351 -11.328
  134    HA   GLU  19           HA       GLU  19  -0.906  -6.958 -11.970
  135    HB2  GLU  19          2HB       GLU  19  -0.779  -9.437 -13.213
  136    HB3  GLU  19          3HB       GLU  19  -1.755  -9.737 -11.782
  137    HG2  GLU  19          2HG       GLU  19  -2.858  -7.435 -12.708
  138    HG3  GLU  19          3HG       GLU  19  -2.377  -8.225 -14.209
  139    H    MET  20           HN       MET  20  -2.344  -6.849 -10.234
  140    HA   MET  20           HA       MET  20  -1.549  -8.329  -7.817
  141    HB2  MET  20          2HB       MET  20  -2.059  -5.385  -8.141
  142    HB3  MET  20          3HB       MET  20  -2.266  -6.173  -6.582
  143    HG2  MET  20          2HG       MET  20   0.013  -6.749  -6.457
  144    HG3  MET  20          3HG       MET  20   0.281  -6.364  -8.156
  145    HE1  MET  20          1HE       MET  20   0.215  -2.731  -8.498
  146    HE2  MET  20          2HE       MET  20  -0.733  -4.142  -8.972
  147    HE3  MET  20          3HE       MET  20  -1.396  -2.980  -7.822
  148    H    VAL  21           HN       VAL  21  -3.228  -9.767  -7.843
  149    HA   VAL  21           HA       VAL  21  -5.946  -8.908  -8.278
  150    HB   VAL  21           HB       VAL  21  -6.402 -11.341  -7.472
  151   HG11  VAL  21          1HG1      VAL  21  -4.927 -10.686 -10.017
  152   HG12  VAL  21          2HG1      VAL  21  -5.778 -12.203  -9.725
  153   HG13  VAL  21          3HG1      VAL  21  -6.671 -10.682  -9.762
  154   HG21  VAL  21          1HG2      VAL  21  -4.648 -12.830  -7.344
  155   HG22  VAL  21          2HG2      VAL  21  -3.563 -11.799  -8.277
  156   HG23  VAL  21          3HG2      VAL  21  -3.940 -11.395  -6.602
  157    H    THR  22           HN       THR  22  -3.835  -9.275  -5.590
  158    HA   THR  22           HA       THR  22  -5.469  -7.988  -3.765
  159    HB   THR  22           HB       THR  22  -7.007  -9.815  -3.781
  160    HG1  THR  22          1HG       THR  22  -5.455 -10.383  -1.488
  161   HG21  THR  22          1HG2      THR  22  -4.687 -11.653  -3.180
  162   HG22  THR  22          2HG2      THR  22  -5.463 -11.494  -4.756
  163   HG23  THR  22          3HG2      THR  22  -6.375 -12.118  -3.381
  164    H    GLY  23           HN       GLY  23  -2.916 -10.262  -4.400
  165    HA2  GLY  23          1HA       GLY  23  -1.719 -10.115  -1.798
  166    HA3  GLY  23          2HA       GLY  23  -0.984 -10.783  -3.249
  167    H    ALA  24           HN       ALA  24  -2.124  -7.542  -2.291
  168    HA   ALA  24           HA       ALA  24   0.576  -6.501  -2.476
  169    HB1  ALA  24          1HB       ALA  24  -0.993  -6.443  -4.756
  170    HB2  ALA  24          2HB       ALA  24  -1.163  -4.823  -4.077
  171    HB3  ALA  24          3HB       ALA  24   0.440  -5.463  -4.441
  172    H    LYS  25           HN       LYS  25   0.703  -4.227  -1.803
  173    HA   LYS  25           HA       LYS  25  -1.458  -3.575   0.085
  174    HB2  LYS  25          2HB       LYS  25   1.300  -2.410   0.256
  175    HB3  LYS  25          3HB       LYS  25   0.114  -2.639   1.534
  176    HG2  LYS  25          2HG       LYS  25   1.445  -4.945   0.148
  177    HG3  LYS  25          3HG       LYS  25   2.143  -4.153   1.564
  178    HD2  LYS  25          2HD       LYS  25  -0.651  -4.780   1.972
  179    HD3  LYS  25          3HD       LYS  25   0.276  -6.221   1.547
  180    HE2  LYS  25          2HE       LYS  25   1.370  -6.233   3.504
  181    HE3  LYS  25          3HE       LYS  25   1.603  -4.486   3.491
  182    HZ1  LYS  25          1HZ       LYS  25  -0.194  -4.158   4.757
  183    HZ2  LYS  25          2HZ       LYS  25  -0.038  -5.792   5.166
  184    HZ3  LYS  25          3HZ       LYS  25  -1.119  -5.324   3.953
  185    H    ARG  26           HN       ARG  26  -1.161  -1.031   0.651
  186    HA   ARG  26           HA       ARG  26  -1.194   0.398  -1.924
  187    HB2  ARG  26          2HB       ARG  26  -3.483  -0.002  -1.016
  188    HB3  ARG  26          3HB       ARG  26  -3.036   0.918   0.414
  189    HG2  ARG  26          2HG       ARG  26  -2.475   2.804  -1.256
  190    HG3  ARG  26          3HG       ARG  26  -3.461   1.873  -2.385
  191    HD2  ARG  26          2HD       ARG  26  -4.654   3.686  -1.082
  192    HD3  ARG  26          3HD       ARG  26  -5.381   2.080  -1.036
  193    HE   ARG  26           HE       ARG  26  -4.882   1.937   1.212
  194   HH11  ARG  26          1HH1      ARG  26  -3.348   4.733  -0.184
  195   HH12  ARG  26          2HH1      ARG  26  -2.906   5.416   1.345
  196   HH21  ARG  26          1HH2      ARG  26  -4.305   2.827   3.232
  197   HH22  ARG  26          2HH2      ARG  26  -3.449   4.331   3.288
  198    H    LEU  27           HN       LEU  27  -0.223   2.373  -1.989
  199    HA   LEU  27           HA       LEU  27   1.356   3.109   0.355
  200    HB2  LEU  27          2HB       LEU  27   1.474   3.891  -2.544
  201    HB3  LEU  27          3HB       LEU  27   2.423   4.712  -1.308
  202    HG   LEU  27           HG       LEU  27   2.624   1.793  -2.047
  203   HD11  LEU  27          1HD1      LEU  27   4.703   3.922  -2.436
  204   HD12  LEU  27          2HD1      LEU  27   3.506   3.544  -3.674
  205   HD13  LEU  27          3HD1      LEU  27   4.636   2.303  -3.132
  206   HD21  LEU  27          1HD2      LEU  27   4.795   2.184  -0.613
  207   HD22  LEU  27          2HD2      LEU  27   3.262   1.760   0.150
  208   HD23  LEU  27          3HD2      LEU  27   3.806   3.439   0.133
  209    HA   PRO  28           HA       PRO  28  -1.055   6.620   1.425
  210    HB2  PRO  28          2HB       PRO  28   0.865   8.305   2.344
  211    HB3  PRO  28          3HB       PRO  28   0.339   6.872   3.234
  212    HG2  PRO  28          2HG       PRO  28   2.747   7.243   1.494
  213    HG3  PRO  28          3HG       PRO  28   2.617   6.431   3.065
  214    HD2  PRO  28          2HD       PRO  28   2.675   5.072   0.724
  215    HD3  PRO  28          3HD       PRO  28   1.768   4.499   2.138
  216    H    CYS  29           HN       CYS  29   0.889   6.568  -1.232
  217    HA   CYS  29           HA       CYS  29   0.364   9.385  -1.905
  218    HB2  CYS  29          2HB       CYS  29   2.083   8.923  -3.753
  219    HB3  CYS  29          3HB       CYS  29   2.683   9.034  -2.101
  220    H    ASN  30           HN       ASN  30  -1.015   6.488  -2.270
  221    HA   ASN  30           HA       ASN  30  -2.788   5.879  -3.604
  222    HB2  ASN  30          2HB       ASN  30  -2.613   8.509  -4.239
  223    HB3  ASN  30          3HB       ASN  30  -2.211   7.783  -5.792
  224   HD21  ASN  30          1HD2      ASN  30  -4.542   9.325  -5.061
  225   HD22  ASN  30          2HD2      ASN  30  -5.913   8.311  -5.348
  226    H    HIS  31           HN       HIS  31  -0.589   4.421  -3.664
  227    HA   HIS  31           HA       HIS  31  -0.503   3.477  -6.404
  228    HB2  HIS  31          2HB       HIS  31   2.016   4.300  -4.943
  229    HB3  HIS  31          3HB       HIS  31   1.974   3.413  -6.464
  230    HD2  HIS  31          2HD       HIS  31   0.228   5.102  -8.398
  231    HE1  HIS  31          1HE       HIS  31   2.214   8.561  -6.952
  232    HE2  HIS  31          2HE       HIS  31   0.720   7.617  -8.748
  233    H    ILE  32           HN       ILE  32  -0.965   1.395  -6.210
  234    HA   ILE  32           HA       ILE  32  -0.181  -0.049  -3.794
  235    HB   ILE  32           HB       ILE  32  -2.113  -0.651  -6.015
  236   HG12  ILE  32          2HG1      ILE  32  -2.789  -0.985  -3.152
  237   HG13  ILE  32          3HG1      ILE  32  -2.456   0.663  -3.673
  238   HG21  ILE  32          1HG2      ILE  32  -1.601  -2.817  -5.839
  239   HG22  ILE  32          2HG2      ILE  32  -0.613  -2.552  -4.404
  240   HG23  ILE  32          3HG2      ILE  32  -2.358  -2.747  -4.248
  241   HD11  ILE  32          1HD1      ILE  32  -4.824   0.175  -3.785
  242   HD12  ILE  32          2HD1      ILE  32  -4.172   0.455  -5.400
  243   HD13  ILE  32          3HD1      ILE  32  -4.511  -1.188  -4.857
  244    H    PHE  33           HN       PHE  33   1.267  -1.680  -3.748
  245    HA   PHE  33           HA       PHE  33   2.267  -2.817  -6.235
  246    HB2  PHE  33          2HB       PHE  33   4.120  -1.512  -4.231
  247    HB3  PHE  33          3HB       PHE  33   4.605  -2.366  -5.692
  248    HD1  PHE  33          1HD       PHE  33   3.957   0.777  -4.295
  249    HD2  PHE  33          2HD       PHE  33   3.549  -1.428  -7.914
  250    HE1  PHE  33          1HE       PHE  33   3.832   2.883  -5.561
  251    HE2  PHE  33          2HE       PHE  33   3.424   0.675  -9.185
  252    HZ   PHE  33           HZ       PHE  33   3.566   2.834  -8.009
  253    H    HIS  34           HN       HIS  34   3.221  -4.841  -5.999
  254    HA   HIS  34           HA       HIS  34   2.273  -6.604  -4.195
  255    HB2  HIS  34          2HB       HIS  34   4.944  -6.563  -5.586
  256    HB3  HIS  34          3HB       HIS  34   4.451  -7.918  -4.575
  257    HD2  HIS  34          2HD       HIS  34   1.313  -8.065  -5.698
  258    HE1  HIS  34          1HE       HIS  34   3.224  -8.752  -9.424
  259    HE2  HIS  34          2HE       HIS  34   1.055  -8.853  -8.147
  260    H    THR  35           HN       THR  35   2.762  -7.381  -2.177
  261    HA   THR  35           HA       THR  35   4.023  -5.579  -0.370
  262    HB   THR  35           HB       THR  35   3.384  -8.436   0.315
  263    HG1  THR  35          1HG       THR  35   1.672  -6.720  -0.767
  264   HG21  THR  35          1HG2      THR  35   4.440  -7.095   2.044
  265   HG22  THR  35          2HG2      THR  35   2.761  -7.415   2.474
  266   HG23  THR  35          3HG2      THR  35   3.223  -5.835   1.842
  267    H    SER  36           HN       SER  36   5.150  -8.190  -2.280
  268    HA   SER  36           HA       SER  36   7.506  -8.634  -0.620
  269    HB2  SER  36          2HB       SER  36   6.622 -10.649  -1.509
  270    HB3  SER  36          3HB       SER  36   6.456  -9.955  -3.122
  271    HG   SER  36           HG       SER  36   8.293 -11.053  -3.307
  272    H    CYS  37           HN       CYS  37   6.543  -7.031  -3.554
  273    HA   CYS  37           HA       CYS  37   9.230  -6.607  -4.501
  274    HB2  CYS  37          2HB       CYS  37   6.578  -5.430  -5.353
  275    HB3  CYS  37          3HB       CYS  37   8.109  -5.100  -6.159
  276    H    LEU  38           HN       LEU  38   6.912  -4.898  -2.535
  277    HA   LEU  38           HA       LEU  38   8.201  -2.356  -2.650
  278    HB2  LEU  38          2HB       LEU  38   6.083  -3.593  -0.951
  279    HB3  LEU  38          3HB       LEU  38   6.825  -2.079  -0.439
  280    HG   LEU  38           HG       LEU  38   5.294  -2.556  -2.995
  281   HD11  LEU  38          1HD1      LEU  38   3.505  -2.028  -1.802
  282   HD12  LEU  38          2HD1      LEU  38   4.231  -0.461  -1.442
  283   HD13  LEU  38          3HD1      LEU  38   4.491  -1.823  -0.354
  284   HD21  LEU  38          1HD2      LEU  38   6.864  -0.203  -1.995
  285   HD22  LEU  38          2HD2      LEU  38   5.529  -0.012  -3.132
  286   HD23  LEU  38          3HD2      LEU  38   6.930  -0.989  -3.573
  287    H    ARG  39           HN       ARG  39   8.164  -4.978  -0.248
  288    HA   ARG  39           HA       ARG  39   9.858  -3.777   1.624
  289    HB2  ARG  39          2HB       ARG  39   9.358  -6.683   0.980
  290    HB3  ARG  39          3HB       ARG  39  10.335  -6.153   2.343
  291    HG2  ARG  39          2HG       ARG  39   8.269  -4.798   3.037
  292    HG3  ARG  39          3HG       ARG  39   7.394  -5.826   1.901
  293    HD2  ARG  39          2HD       ARG  39   7.543  -7.640   3.231
  294    HD3  ARG  39          3HD       ARG  39   9.177  -7.242   3.762
  295    HE   ARG  39           HE       ARG  39   6.734  -6.605   5.097
  296   HH11  ARG  39          1HH1      ARG  39  10.006  -5.547   4.558
  297   HH12  ARG  39          2HH1      ARG  39  10.104  -4.664   6.045
  298   HH21  ARG  39          1HH2      ARG  39   6.849  -5.446   7.058
  299   HH22  ARG  39          2HH2      ARG  39   8.309  -4.609   7.467
  300    H    SER  40           HN       SER  40  10.550  -5.555  -1.315
  301    HA   SER  40           HA       SER  40  13.398  -5.644  -0.766
  302    HB2  SER  40          2HB       SER  40  11.669  -7.172  -2.333
  303    HB3  SER  40          3HB       SER  40  12.642  -6.279  -3.502
  304    HG   SER  40           HG       SER  40  14.504  -7.075  -2.444
  305    H    TRP  41           HN       TRP  41  11.128  -3.689  -2.519
  306    HA   TRP  41           HA       TRP  41  13.007  -2.405  -4.232
  307    HB2  TRP  41          2HB       TRP  41  10.624  -2.432  -4.767
  308    HB3  TRP  41          3HB       TRP  41  10.266  -1.516  -3.306
  309    HD1  TRP  41          1HD       TRP  41  11.094   1.090  -3.282
  310    HE1  TRP  41          1HE       TRP  41  11.415   2.748  -5.225
  311    HE3  TRP  41          3HE       TRP  41  11.293  -2.234  -7.160
  312    HZ2  TRP  41          2HZ       TRP  41  11.713   2.657  -8.030
  313    HZ3  TRP  41          3HZ       TRP  41  11.597  -1.367  -9.442
  314    HH2  TRP  41          2HH       TRP  41  11.802   1.028  -9.866
  315    H    PHE  42           HN       PHE  42  11.585  -1.589  -1.092
  316    HA   PHE  42           HA       PHE  42  12.979   0.913  -0.906
  317    HB2  PHE  42          2HB       PHE  42  11.433  -0.700   1.130
  318    HB3  PHE  42          3HB       PHE  42  12.133   0.881   1.461
  319    HD1  PHE  42          1HD       PHE  42  11.549   2.438  -0.876
  320    HD2  PHE  42          2HD       PHE  42   9.147  -0.486   1.069
  321    HE1  PHE  42          1HE       PHE  42   9.523   3.522  -1.758
  322    HE2  PHE  42          2HE       PHE  42   7.117   0.591   0.191
  323    HZ   PHE  42           HZ       PHE  42   7.303   2.597  -1.225
  324    H    GLN  43           HN       GLN  43  13.803  -2.328  -0.366
  325    HA   GLN  43           HA       GLN  43  15.575  -2.138   1.796
  326    HB2  GLN  43          2HB       GLN  43  15.059  -4.046  -0.382
  327    HB3  GLN  43          3HB       GLN  43  16.702  -4.082   0.243
  328    HG2  GLN  43          2HG       GLN  43  14.762  -4.008   2.380
  329    HG3  GLN  43          3HG       GLN  43  14.481  -5.367   1.293
  330   HE21  GLN  43          1HE2      GLN  43  16.929  -6.128   0.540
  331   HE22  GLN  43          2HE2      GLN  43  17.870  -6.632   1.899
  332    H    ARG  44           HN       ARG  44  15.907  -1.243  -1.549
  333    HA   ARG  44           HA       ARG  44  18.721  -0.521  -1.054
  334    HB2  ARG  44          2HB       ARG  44  17.635  -0.735  -3.825
  335    HB3  ARG  44          3HB       ARG  44  19.268  -1.019  -3.238
  336    HG2  ARG  44          2HG       ARG  44  18.436  -3.100  -2.145
  337    HG3  ARG  44          3HG       ARG  44  16.888  -2.834  -2.950
  338    HD2  ARG  44          2HD       ARG  44  19.272  -2.731  -4.681
  339    HD3  ARG  44          3HD       ARG  44  18.898  -4.308  -3.986
  340    HE   ARG  44           HE       ARG  44  16.639  -2.999  -5.192
  341   HH11  ARG  44          1HH1      ARG  44  19.381  -5.074  -5.734
  342   HH12  ARG  44          2HH1      ARG  44  18.705  -5.816  -7.146
  343   HH21  ARG  44          1HH2      ARG  44  15.738  -3.969  -7.050
  344   HH22  ARG  44          2HH2      ARG  44  16.633  -5.187  -7.894
  345    H    GLN  45           HN       GLN  45  15.591   0.566  -2.109
  346    HA   GLN  45           HA       GLN  45  16.674   3.294  -2.381
  347    HB2  GLN  45          2HB       GLN  45  14.764   1.782  -4.074
  348    HB3  GLN  45          3HB       GLN  45  14.392   3.477  -3.792
  349    HG2  GLN  45          2HG       GLN  45  15.624   3.371  -5.801
  350    HG3  GLN  45          3HG       GLN  45  16.710   4.018  -4.572
  351   HE21  GLN  45          1HE2      GLN  45  18.457   2.813  -3.901
  352   HE22  GLN  45          2HE2      GLN  45  18.985   1.389  -4.725
  353    H    GLN  46           HN       GLN  46  14.470   4.799  -2.378
  354    HA   GLN  46           HA       GLN  46  12.751   4.011  -0.168
  355    HB2  GLN  46          2HB       GLN  46  13.554   5.415   1.390
  356    HB3  GLN  46          3HB       GLN  46  15.011   5.449   0.408
  357    HG2  GLN  46          2HG       GLN  46  13.799   7.388  -0.833
  358    HG3  GLN  46          3HG       GLN  46  12.841   7.477   0.645
  359   HE21  GLN  46          1HE2      GLN  46  14.901   9.264  -0.625
  360   HE22  GLN  46          2HE2      GLN  46  16.028   9.589   0.644
  361    H    THR  47           HN       THR  47  12.806   4.934  -3.136
  362    HA   THR  47           HA       THR  47  10.697   6.977  -2.867
  363    HB   THR  47           HB       THR  47  11.604   6.879  -5.554
  364    HG1  THR  47          1HG       THR  47  13.587   6.122  -5.040
  365   HG21  THR  47          1HG2      THR  47  10.731   8.770  -3.923
  366   HG22  THR  47          2HG2      THR  47  11.751   9.153  -5.310
  367   HG23  THR  47          3HG2      THR  47  12.457   9.043  -3.697
  368    H    CYS  48           HN       CYS  48   8.861   6.816  -4.216
  369    HA   CYS  48           HA       CYS  48   7.801   4.254  -4.523
  370    HB2  CYS  48          2HB       CYS  48   6.791   6.789  -4.634
  371    HB3  CYS  48          3HB       CYS  48   6.691   6.303  -6.323
  372    HA   PRO  49           HA       PRO  49   9.633   2.825  -8.272
  373    HB2  PRO  49          2HB       PRO  49   7.853   0.856  -8.846
  374    HB3  PRO  49          3HB       PRO  49   9.059   0.716  -7.561
  375    HG2  PRO  49          2HG       PRO  49   6.158   1.430  -7.366
  376    HG3  PRO  49          3HG       PRO  49   7.116   0.351  -6.336
  377    HD2  PRO  49          2HD       PRO  49   6.510   2.891  -5.620
  378    HD3  PRO  49          3HD       PRO  49   8.022   2.097  -5.135
  379    H    THR  50           HN       THR  50   6.896   4.640  -8.081
  380    HA   THR  50           HA       THR  50   6.618   4.702 -11.006
  381    HB   THR  50           HB       THR  50   4.700   3.456  -9.965
  382    HG1  THR  50          1HG       THR  50   4.077   4.269 -11.854
  383   HG21  THR  50          1HG2      THR  50   3.913   6.165  -8.892
  384   HG22  THR  50          2HG2      THR  50   4.609   4.881  -7.905
  385   HG23  THR  50          3HG2      THR  50   3.050   4.640  -8.693
  386    H    CYS  51           HN       CYS  51   5.772   6.380  -7.980
  387    HA   CYS  51           HA       CYS  51   5.943   8.942  -9.396
  388    HB2  CYS  51          2HB       CYS  51   4.646   9.889  -7.684
  389    HB3  CYS  51          3HB       CYS  51   3.949   8.287  -7.903
  390    H    ARG  52           HN       ARG  52   7.911   6.929  -7.693
  391    HA   ARG  52           HA       ARG  52   9.713   7.217  -6.269
  392    HB2  ARG  52          2HB       ARG  52  10.423   9.433  -8.172
  393    HB3  ARG  52          3HB       ARG  52  11.484   8.257  -7.408
  394    HG2  ARG  52          2HG       ARG  52  10.278   6.497  -8.785
  395    HG3  ARG  52          3HG       ARG  52   9.593   7.843  -9.697
  396    HD2  ARG  52          2HD       ARG  52  11.788   8.598 -10.328
  397    HD3  ARG  52          3HD       ARG  52  12.544   7.393  -9.287
  398    HE   ARG  52           HE       ARG  52  11.631   7.001 -11.940
  399   HH11  ARG  52          1HH1      ARG  52  11.853   5.420  -8.845
  400   HH12  ARG  52          2HH1      ARG  52  11.896   3.824  -9.518
  401   HH21  ARG  52          1HH2      ARG  52  11.688   4.904 -12.837
  402   HH22  ARG  52          2HH2      ARG  52  11.803   3.531 -11.788
  403    H    MET  53           HN       MET  53   7.962   8.277  -4.763
  404    HA   MET  53           HA       MET  53   8.982  10.940  -4.023
  405    HB2  MET  53          2HB       MET  53   6.613  10.874  -4.970
  406    HB3  MET  53          3HB       MET  53   6.161  10.012  -3.507
  407    HG2  MET  53          2HG       MET  53   7.650  12.504  -3.078
  408    HG3  MET  53          3HG       MET  53   6.055  12.691  -3.803
  409    HE1  MET  53          1HE       MET  53   4.250  10.164  -1.441
  410    HE2  MET  53          2HE       MET  53   3.556  11.743  -1.811
  411    HE3  MET  53          3HE       MET  53   4.381  10.824  -3.072
  412    H    ASP  54           HN       ASP  54  10.047  10.860  -2.169
  413    HA   ASP  54           HA       ASP  54  10.496   8.853  -0.475
  414    HB2  ASP  54          2HB       ASP  54  11.639  10.813   0.048
  415    HB3  ASP  54          3HB       ASP  54  10.167  11.781   0.084
  416    H    VAL  55           HN       VAL  55   9.342   7.505   0.727
  417    HA   VAL  55           HA       VAL  55   6.718   8.405   1.727
  418    HB   VAL  55           HB       VAL  55   6.097   5.924   1.612
  419   HG11  VAL  55          1HG1      VAL  55   4.842   6.873   0.032
  420   HG12  VAL  55          2HG1      VAL  55   6.140   7.968  -0.450
  421   HG13  VAL  55          3HG1      VAL  55   6.065   6.337  -1.120
  422   HG21  VAL  55          1HG2      VAL  55   8.371   5.886  -0.368
  423   HG22  VAL  55          2HG2      VAL  55   8.416   5.134   1.226
  424   HG23  VAL  55          3HG2      VAL  55   7.273   4.559   0.012
  425    H    LEU  56           HN       LEU  56   9.534   6.351   2.289
  426    HA   LEU  56           HA       LEU  56   8.931   5.165   4.676
  427    HB2  LEU  56          2HB       LEU  56  11.259   5.691   3.187
  428    HB3  LEU  56          3HB       LEU  56  11.596   6.218   4.835
  429    HG   LEU  56           HG       LEU  56  10.365   3.565   4.665
  430   HD11  LEU  56          1HD1      LEU  56  12.583   4.216   2.919
  431   HD12  LEU  56          2HD1      LEU  56  11.613   2.747   3.017
  432   HD13  LEU  56          3HD1      LEU  56  13.001   2.958   4.083
  433   HD21  LEU  56          1HD2      LEU  56  11.741   3.115   6.453
  434   HD22  LEU  56          2HD2      LEU  56  11.525   4.858   6.617
  435   HD23  LEU  56          3HD2      LEU  56  13.003   4.215   5.899
  Start of MODEL    5
    1    H1   ALA   1           HN       ALA   1  -4.465  -3.851   0.555
    2    HA   ALA   1           HA       ALA   1  -6.194  -1.902  -0.079
    3    HB1  ALA   1          1HB       ALA   1  -4.383  -2.214  -1.529
    4    HB2  ALA   1          2HB       ALA   1  -4.850  -3.874  -1.899
    5    HB3  ALA   1          3HB       ALA   1  -5.806  -2.529  -2.523
    6    H    THR   2           HN       THR   2  -7.698  -2.139  -2.228
    7    HA   THR   2           HA       THR   2  -9.660  -4.260  -1.658
    8    HB   THR   2           HB       THR   2 -11.291  -2.811  -1.202
    9    HG1  THR   2          1HG       THR   2 -12.057  -1.930  -2.956
   10   HG21  THR   2          1HG2      THR   2 -10.729  -0.643  -0.441
   11   HG22  THR   2          2HG2      THR   2  -9.348  -0.534  -1.534
   12   HG23  THR   2          3HG2      THR   2  -9.297  -1.632  -0.155
   13    HA   PRO   3           HA       PRO   3  -9.804  -5.069  -5.968
   14    HB2  PRO   3          2HB       PRO   3 -12.431  -5.627  -6.365
   15    HB3  PRO   3          3HB       PRO   3 -11.335  -6.719  -5.509
   16    HG2  PRO   3          2HG       PRO   3 -13.309  -4.761  -4.399
   17    HG3  PRO   3          3HG       PRO   3 -12.968  -6.421  -3.879
   18    HD2  PRO   3          2HD       PRO   3 -11.975  -4.258  -2.589
   19    HD3  PRO   3          3HD       PRO   3 -11.097  -5.797  -2.686
   20    H    GLU   4           HN       GLU   4 -12.067  -2.687  -4.721
   21    HA   GLU   4           HA       GLU   4 -12.746  -1.630  -7.303
   22    HB2  GLU   4          2HB       GLU   4 -13.963  -1.507  -4.905
   23    HB3  GLU   4          3HB       GLU   4 -13.128   0.040  -4.884
   24    HG2  GLU   4          2HG       GLU   4 -14.465  -0.435  -7.407
   25    HG3  GLU   4          3HG       GLU   4 -15.576  -0.503  -6.041
   26    H    GLU   5           HN       GLU   5 -10.636  -0.632  -4.634
   27    HA   GLU   5           HA       GLU   5  -9.753   1.759  -5.902
   28    HB2  GLU   5          2HB       GLU   5  -8.597   0.150  -3.623
   29    HB3  GLU   5          3HB       GLU   5  -7.951   1.698  -4.151
   30    HG2  GLU   5          2HG       GLU   5 -10.838   1.574  -3.506
   31    HG3  GLU   5          3HG       GLU   5  -9.695   1.479  -2.168
   32    H    LEU   6           HN       LEU   6  -8.608  -1.556  -5.829
   33    HA   LEU   6           HA       LEU   6  -6.068  -1.078  -6.985
   34    HB2  LEU   6          2HB       LEU   6  -7.774  -3.417  -6.428
   35    HB3  LEU   6          3HB       LEU   6  -6.607  -3.615  -7.733
   36    HG   LEU   6           HG       LEU   6  -5.809  -2.689  -4.984
   37   HD11  LEU   6          1HD1      LEU   6  -5.430  -4.870  -4.287
   38   HD12  LEU   6          2HD1      LEU   6  -5.542  -5.520  -5.923
   39   HD13  LEU   6          3HD1      LEU   6  -6.998  -4.974  -5.088
   40   HD21  LEU   6          1HD2      LEU   6  -4.227  -2.253  -6.786
   41   HD22  LEU   6          2HD2      LEU   6  -4.280  -3.951  -7.259
   42   HD23  LEU   6          3HD2      LEU   6  -3.610  -3.491  -5.692
   43    H    GLN   7           HN       GLN   7  -9.137  -2.208  -8.396
   44    HA   GLN   7           HA       GLN   7  -8.192  -2.279 -11.059
   45    HB2  GLN   7          2HB       GLN   7 -10.583  -2.914  -9.704
   46    HB3  GLN   7          3HB       GLN   7 -11.016  -1.751 -10.950
   47    HG2  GLN   7          2HG       GLN   7  -9.387  -3.442 -12.323
   48    HG3  GLN   7          3HG       GLN   7 -10.170  -4.538 -11.185
   49   HE21  GLN   7          1HE2      GLN   7 -12.289  -5.037 -11.439
   50   HE22  GLN   7          2HE2      GLN   7 -13.254  -4.498 -12.766
   51    H    ALA   8           HN       ALA   8  -8.654   0.316  -9.064
   52    HA   ALA   8           HA       ALA   8  -9.532   2.141 -11.171
   53    HB1  ALA   8          1HB       ALA   8 -10.637   2.885  -9.353
   54    HB2  ALA   8          2HB       ALA   8  -9.450   2.224  -8.228
   55    HB3  ALA   8          3HB       ALA   8  -9.131   3.752  -9.050
   56    H    MET   9           HN       MET   9  -6.762   0.749 -10.680
   57    HA   MET   9           HA       MET   9  -5.226   3.011 -11.623
   58    HB2  MET   9          2HB       MET   9  -3.470   2.813  -9.940
   59    HB3  MET   9          3HB       MET   9  -5.006   3.222  -9.187
   60    HG2  MET   9          2HG       MET   9  -5.051   1.346  -7.984
   61    HG3  MET   9          3HG       MET   9  -4.508   0.353  -9.336
   62    HE1  MET   9          1HE       MET   9  -0.805   0.027  -8.978
   63    HE2  MET   9          2HE       MET   9  -2.318  -0.495  -9.718
   64    HE3  MET   9          3HE       MET   9  -1.612   1.062 -10.156
   65    H    ASP  10           HN       ASP  10  -6.132   0.370 -12.578
   66    HA   ASP  10           HA       ASP  10  -5.270  -1.144 -14.067
   67    HB2  ASP  10          2HB       ASP  10  -3.239   0.726 -13.936
   68    HB3  ASP  10          3HB       ASP  10  -2.427  -0.773 -13.496
   69    H    ASN  11           HN       ASN  11  -4.647  -0.973 -10.784
   70    HA   ASN  11           HA       ASN  11  -3.855  -2.461  -9.212
   71    HB2  ASN  11          2HB       ASN  11  -5.265  -4.320  -9.038
   72    HB3  ASN  11          3HB       ASN  11  -6.214  -3.187  -9.998
   73   HD21  ASN  11          1HD2      ASN  11  -4.719  -6.244  -9.880
   74   HD22  ASN  11          2HD2      ASN  11  -5.130  -6.766 -11.474
   75    H    VAL  12           HN       VAL  12  -2.014  -2.149 -11.382
   76    HA   VAL  12           HA       VAL  12  -0.843  -4.854 -11.482
   77    HB   VAL  12           HB       VAL  12  -0.903  -2.675 -13.533
   78   HG11  VAL  12          1HG1      VAL  12   0.944  -3.763 -14.733
   79   HG12  VAL  12          2HG1      VAL  12   1.467  -3.087 -13.190
   80   HG13  VAL  12          3HG1      VAL  12   1.206  -4.824 -13.351
   81   HG21  VAL  12          1HG2      VAL  12  -0.871  -5.378 -14.502
   82   HG22  VAL  12          2HG2      VAL  12  -2.085  -5.200 -13.235
   83   HG23  VAL  12          3HG2      VAL  12  -2.130  -4.153 -14.654
   84    H    CYS  13           HN       CYS  13   1.061  -5.116 -10.516
   85    HA   CYS  13           HA       CYS  13   2.314  -2.972  -9.130
   86    HB2  CYS  13          2HB       CYS  13   2.383  -5.223  -8.226
   87    HB3  CYS  13          3HB       CYS  13   3.233  -5.806  -9.654
   88    H    ILE  14           HN       ILE  14   3.596  -1.487  -9.984
   89    HA   ILE  14           HA       ILE  14   4.655  -1.648 -12.602
   90    HB   ILE  14           HB       ILE  14   4.126   0.448 -11.166
   91   HG12  ILE  14          2HG1      ILE  14   4.913   0.631 -13.433
   92   HG13  ILE  14          3HG1      ILE  14   5.833   1.761 -12.447
   93   HG21  ILE  14          1HG2      ILE  14   6.058   1.420 -10.039
   94   HG22  ILE  14          2HG2      ILE  14   5.608  -0.121  -9.309
   95   HG23  ILE  14          3HG2      ILE  14   6.999  -0.029 -10.388
   96   HD11  ILE  14          1HD1      ILE  14   7.519  -0.248 -12.310
   97   HD12  ILE  14          2HD1      ILE  14   6.710  -0.726 -13.803
   98   HD13  ILE  14          3HD1      ILE  14   7.502   0.846 -13.693
   99    H    ILE  15           HN       ILE  15   6.164  -1.934  -9.398
  100    HA   ILE  15           HA       ILE  15   8.783  -2.082  -9.839
  101    HB   ILE  15           HB       ILE  15   7.249  -4.184  -8.306
  102   HG12  ILE  15          2HG1      ILE  15   8.670  -1.905  -7.012
  103   HG13  ILE  15          3HG1      ILE  15   7.136  -1.569  -7.807
  104   HG21  ILE  15          1HG2      ILE  15  10.077  -3.833  -8.817
  105   HG22  ILE  15          2HG2      ILE  15   9.708  -3.796  -7.094
  106   HG23  ILE  15          3HG2      ILE  15   9.225  -5.183  -8.068
  107   HD11  ILE  15          1HD1      ILE  15   7.701  -3.251  -5.414
  108   HD12  ILE  15          2HD1      ILE  15   6.477  -2.003  -5.653
  109   HD13  ILE  15          3HD1      ILE  15   6.283  -3.585  -6.407
  110    H    CYS  16           HN       CYS  16   6.573  -4.774 -10.569
  111    HA   CYS  16           HA       CYS  16   8.670  -5.908 -12.301
  112    HB2  CYS  16          2HB       CYS  16   7.578  -8.103 -11.944
  113    HB3  CYS  16          3HB       CYS  16   8.178  -7.397 -10.446
  114    H    ARG  17           HN       ARG  17   5.832  -4.248 -12.352
  115    HA   ARG  17           HA       ARG  17   4.146  -3.937 -13.861
  116    HB2  ARG  17          2HB       ARG  17   6.534  -4.603 -15.553
  117    HB3  ARG  17          3HB       ARG  17   4.976  -4.282 -16.302
  118    HG2  ARG  17          2HG       ARG  17   5.150  -2.150 -14.676
  119    HG3  ARG  17          3HG       ARG  17   6.862  -2.444 -14.990
  120    HD2  ARG  17          2HD       ARG  17   4.762  -2.204 -17.138
  121    HD3  ARG  17          3HD       ARG  17   5.771  -0.867 -16.589
  122    HE   ARG  17           HE       ARG  17   6.559  -3.058 -18.287
  123   HH11  ARG  17          1HH1      ARG  17   7.638  -0.555 -16.122
  124   HH12  ARG  17          2HH1      ARG  17   9.238  -0.492 -16.782
  125   HH21  ARG  17          1HH2      ARG  17   8.663  -2.985 -19.165
  126   HH22  ARG  17          2HH2      ARG  17   9.820  -1.875 -18.514
  127    H    GLU  18           HN       GLU  18   3.365  -6.051 -12.724
  128    HA   GLU  18           HA       GLU  18   2.820  -8.028 -14.841
  129    HB2  GLU  18          2HB       GLU  18   3.390  -8.459 -11.915
  130    HB3  GLU  18          3HB       GLU  18   2.555  -9.666 -12.883
  131    HG2  GLU  18          2HG       GLU  18   5.318  -8.588 -13.397
  132    HG3  GLU  18          3HG       GLU  18   4.924 -10.162 -12.707
  133    H    GLU  19           HN       GLU  19   1.454  -8.204 -11.648
  134    HA   GLU  19           HA       GLU  19  -0.917  -6.741 -12.141
  135    HB2  GLU  19          2HB       GLU  19  -0.840  -9.278 -13.370
  136    HB3  GLU  19          3HB       GLU  19  -1.892  -9.442 -11.970
  137    HG2  GLU  19          2HG       GLU  19  -2.891  -7.183 -12.936
  138    HG3  GLU  19          3HG       GLU  19  -2.249  -7.849 -14.437
  139    H    MET  20           HN       MET  20  -2.355  -6.760 -10.365
  140    HA   MET  20           HA       MET  20  -1.380  -8.219  -8.001
  141    HB2  MET  20          2HB       MET  20  -1.984  -5.318  -8.339
  142    HB3  MET  20          3HB       MET  20  -2.357  -6.070  -6.793
  143    HG2  MET  20          2HG       MET  20  -0.082  -6.692  -6.462
  144    HG3  MET  20          3HG       MET  20   0.346  -6.203  -8.100
  145    HE1  MET  20          1HE       MET  20  -0.591  -3.981  -8.909
  146    HE2  MET  20          2HE       MET  20  -1.320  -2.804  -7.816
  147    HE3  MET  20          3HE       MET  20   0.367  -2.629  -8.303
  148    H    VAL  21           HN       VAL  21  -2.953  -9.798  -8.097
  149    HA   VAL  21           HA       VAL  21  -5.756  -9.012  -8.209
  150    HB   VAL  21           HB       VAL  21  -6.181 -11.482  -8.123
  151   HG11  VAL  21          1HG1      VAL  21  -5.624 -11.853 -10.402
  152   HG12  VAL  21          2HG1      VAL  21  -5.941 -10.126 -10.231
  153   HG13  VAL  21          3HG1      VAL  21  -4.281 -10.714 -10.328
  154   HG21  VAL  21          1HG2      VAL  21  -4.568 -12.978  -7.735
  155   HG22  VAL  21          2HG2      VAL  21  -3.452 -12.187  -8.848
  156   HG23  VAL  21          3HG2      VAL  21  -3.594 -11.614  -7.186
  157    H    THR  22           HN       THR  22  -3.375 -10.106  -5.920
  158    HA   THR  22           HA       THR  22  -4.968  -9.354  -3.697
  159    HB   THR  22           HB       THR  22  -6.155 -11.409  -4.027
  160    HG1  THR  22          1HG       THR  22  -6.014 -11.694  -1.943
  161   HG21  THR  22          1HG2      THR  22  -3.578 -12.380  -4.865
  162   HG22  THR  22          2HG2      THR  22  -5.172 -13.096  -5.105
  163   HG23  THR  22          3HG2      THR  22  -4.262 -13.442  -3.635
  164    H    GLY  23           HN       GLY  23  -3.851  -9.632  -1.650
  165    HA2  GLY  23          1HA       GLY  23  -1.984  -9.794  -0.303
  166    HA3  GLY  23          2HA       GLY  23  -1.200 -10.711  -1.579
  167    H    ALA  24           HN       ALA  24  -2.401  -7.373  -1.193
  168    HA   ALA  24           HA       ALA  24   0.282  -6.355  -1.669
  169    HB1  ALA  24          1HB       ALA  24  -0.430  -4.887  -3.499
  170    HB2  ALA  24          2HB       ALA  24  -0.594  -6.591  -3.924
  171    HB3  ALA  24          3HB       ALA  24  -2.020  -5.650  -3.485
  172    H    LYS  25           HN       LYS  25   0.458  -4.041  -1.268
  173    HA   LYS  25           HA       LYS  25  -1.626  -3.107   0.594
  174    HB2  LYS  25          2HB       LYS  25   1.150  -1.994   0.599
  175    HB3  LYS  25          3HB       LYS  25  -0.003  -2.120   1.922
  176    HG2  LYS  25          2HG       LYS  25   1.216  -4.566   0.698
  177    HG3  LYS  25          3HG       LYS  25   2.061  -3.642   1.942
  178    HD2  LYS  25          2HD       LYS  25  -0.673  -4.101   2.714
  179    HD3  LYS  25          3HD       LYS  25   0.117  -5.628   2.313
  180    HE2  LYS  25          2HE       LYS  25   1.505  -5.522   4.088
  181    HE3  LYS  25          3HE       LYS  25   1.712  -3.777   3.952
  182    HZ1  LYS  25          1HZ       LYS  25  -0.899  -4.132   4.718
  183    HZ2  LYS  25          2HZ       LYS  25   0.377  -3.613   5.700
  184    HZ3  LYS  25          3HZ       LYS  25  -0.034  -5.253   5.645
  185    H    ARG  26           HN       ARG  26  -1.285  -0.543   0.854
  186    HA   ARG  26           HA       ARG  26  -1.171   0.623  -1.845
  187    HB2  ARG  26          2HB       ARG  26  -3.525   0.290  -1.222
  188    HB3  ARG  26          3HB       ARG  26  -3.265   1.210   0.255
  189    HG2  ARG  26          2HG       ARG  26  -2.423   3.002  -1.564
  190    HG3  ARG  26          3HG       ARG  26  -3.631   2.133  -2.514
  191    HD2  ARG  26          2HD       ARG  26  -4.632   4.039  -1.382
  192    HD3  ARG  26          3HD       ARG  26  -5.291   2.526  -0.761
  193    HE   ARG  26           HE       ARG  26  -3.101   3.385   0.817
  194   HH11  ARG  26          1HH1      ARG  26  -6.453   4.065   0.161
  195   HH12  ARG  26          2HH1      ARG  26  -6.761   4.725   1.732
  196   HH21  ARG  26          1HH2      ARG  26  -3.497   4.252   2.891
  197   HH22  ARG  26          2HH2      ARG  26  -5.079   4.831   3.283
  198    H    LEU  27           HN       LEU  27  -0.128   2.533  -2.001
  199    HA   LEU  27           HA       LEU  27   1.177   3.537   0.397
  200    HB2  LEU  27          2HB       LEU  27   1.520   4.183  -2.524
  201    HB3  LEU  27          3HB       LEU  27   2.426   4.968  -1.232
  202    HG   LEU  27           HG       LEU  27   2.532   2.039  -1.951
  203   HD11  LEU  27          1HD1      LEU  27   4.692   2.465  -2.822
  204   HD12  LEU  27          2HD1      LEU  27   4.691   4.118  -2.209
  205   HD13  LEU  27          3HD1      LEU  27   3.618   3.668  -3.534
  206   HD21  LEU  27          1HD2      LEU  27   3.845   3.646   0.223
  207   HD22  LEU  27          2HD2      LEU  27   4.503   2.113  -0.351
  208   HD23  LEU  27          3HD2      LEU  27   2.894   2.168   0.371
  209    HA   PRO  28           HA       PRO  28  -1.375   7.065   0.957
  210    HB2  PRO  28          2HB       PRO  28   0.428   8.863   1.897
  211    HB3  PRO  28          3HB       PRO  28  -0.153   7.495   2.854
  212    HG2  PRO  28          2HG       PRO  28   2.395   7.777   1.308
  213    HG3  PRO  28          3HG       PRO  28   2.136   7.093   2.923
  214    HD2  PRO  28          2HD       PRO  28   2.426   5.550   0.717
  215    HD3  PRO  28          3HD       PRO  28   1.404   5.074   2.089
  216    H    CYS  29           HN       CYS  29   0.813   6.847  -1.499
  217    HA   CYS  29           HA       CYS  29   0.355   9.597  -2.434
  218    HB2  CYS  29          2HB       CYS  29   2.161   8.956  -4.139
  219    HB3  CYS  29          3HB       CYS  29   2.672   9.179  -2.469
  220    H    ASN  30           HN       ASN  30  -1.006   6.648  -2.686
  221    HA   ASN  30           HA       ASN  30  -2.717   5.958  -4.062
  222    HB2  ASN  30          2HB       ASN  30  -2.558   8.552  -4.806
  223    HB3  ASN  30          3HB       ASN  30  -2.055   7.775  -6.304
  224   HD21  ASN  30          1HD2      ASN  30  -4.375   9.274  -6.082
  225   HD22  ASN  30          2HD2      ASN  30  -5.737   8.229  -6.283
  226    H    HIS  31           HN       HIS  31  -0.307   4.680  -3.963
  227    HA   HIS  31           HA       HIS  31  -0.151   3.561  -6.653
  228    HB2  HIS  31          2HB       HIS  31   2.274   4.486  -5.099
  229    HB3  HIS  31          3HB       HIS  31   2.328   3.536  -6.581
  230    HD2  HIS  31          2HD       HIS  31   0.627   5.124  -8.656
  231    HE1  HIS  31          1HE       HIS  31   2.534   8.656  -7.284
  232    HE2  HIS  31          2HE       HIS  31   1.115   7.625  -9.092
  233    H    ILE  32           HN       ILE  32  -0.740   1.521  -6.300
  234    HA   ILE  32           HA       ILE  32   0.132   0.168  -3.856
  235    HB   ILE  32           HB       ILE  32  -1.957  -0.522  -5.912
  236   HG12  ILE  32          2HG1      ILE  32  -2.662  -0.533  -3.078
  237   HG13  ILE  32          3HG1      ILE  32  -2.052   1.026  -3.619
  238   HG21  ILE  32          1HG2      ILE  32  -2.248  -2.363  -3.899
  239   HG22  ILE  32          2HG2      ILE  32  -1.527  -2.671  -5.478
  240   HG23  ILE  32          3HG2      ILE  32  -0.498  -2.279  -4.101
  241   HD11  ILE  32          1HD1      ILE  32  -4.102   1.453  -4.335
  242   HD12  ILE  32          2HD1      ILE  32  -3.833   0.250  -5.597
  243   HD13  ILE  32          3HD1      ILE  32  -4.607  -0.217  -4.083
  244    H    PHE  33           HN       PHE  33   1.406  -1.633  -3.846
  245    HA   PHE  33           HA       PHE  33   2.215  -2.844  -6.365
  246    HB2  PHE  33          2HB       PHE  33   4.280  -1.760  -4.442
  247    HB3  PHE  33          3HB       PHE  33   4.580  -2.543  -5.991
  248    HD1  PHE  33          1HD       PHE  33   3.990   0.546  -4.305
  249    HD2  PHE  33          2HD       PHE  33   3.754  -1.382  -8.092
  250    HE1  PHE  33          1HE       PHE  33   3.946   2.741  -5.415
  251    HE2  PHE  33          2HE       PHE  33   3.710   0.809  -9.209
  252    HZ   PHE  33           HZ       PHE  33   3.806   2.875  -7.871
  253    H    HIS  34           HN       HIS  34   3.345  -4.867  -6.090
  254    HA   HIS  34           HA       HIS  34   2.235  -6.620  -4.322
  255    HB2  HIS  34          2HB       HIS  34   4.939  -6.669  -5.651
  256    HB3  HIS  34          3HB       HIS  34   4.352  -8.014  -4.677
  257    HD2  HIS  34          2HD       HIS  34   1.328  -8.272  -5.824
  258    HE1  HIS  34          1HE       HIS  34   3.186  -8.519  -9.630
  259    HE2  HIS  34          2HE       HIS  34   1.060  -8.870  -8.327
  260    H    THR  35           HN       THR  35   2.587  -7.322  -2.273
  261    HA   THR  35           HA       THR  35   3.853  -5.594  -0.439
  262    HB   THR  35           HB       THR  35   3.158  -8.481   0.102
  263    HG1  THR  35          1HG       THR  35   1.086  -7.929   0.163
  264   HG21  THR  35          1HG2      THR  35   2.699  -6.310   2.063
  265   HG22  THR  35          2HG2      THR  35   4.378  -6.735   1.733
  266   HG23  THR  35          3HG2      THR  35   3.256  -7.964   2.313
  267    H    SER  36           HN       SER  36   5.053  -8.158  -2.368
  268    HA   SER  36           HA       SER  36   7.392  -8.582  -0.679
  269    HB2  SER  36          2HB       SER  36   6.959  -9.830  -3.384
  270    HB3  SER  36          3HB       SER  36   7.887 -10.451  -2.020
  271    HG   SER  36           HG       SER  36   5.997 -10.925  -0.961
  272    H    CYS  37           HN       CYS  37   6.523  -7.233  -3.819
  273    HA   CYS  37           HA       CYS  37   9.168  -6.688  -4.678
  274    HB2  CYS  37          2HB       CYS  37   6.525  -5.460  -5.483
  275    HB3  CYS  37          3HB       CYS  37   8.051  -5.140  -6.299
  276    H    LEU  38           HN       LEU  38   6.989  -5.079  -2.531
  277    HA   LEU  38           HA       LEU  38   8.266  -2.514  -2.655
  278    HB2  LEU  38          2HB       LEU  38   6.241  -3.763  -0.829
  279    HB3  LEU  38          3HB       LEU  38   6.937  -2.182  -0.480
  280    HG   LEU  38           HG       LEU  38   5.277  -2.932  -2.884
  281   HD11  LEU  38          1HD1      LEU  38   3.825  -2.659  -1.070
  282   HD12  LEU  38          2HD1      LEU  38   3.821  -1.091  -1.877
  283   HD13  LEU  38          3HD1      LEU  38   4.763  -1.322  -0.405
  284   HD21  LEU  38          1HD2      LEU  38   5.408  -0.403  -3.262
  285   HD22  LEU  38          2HD2      LEU  38   6.810  -1.374  -3.713
  286   HD23  LEU  38          3HD2      LEU  38   6.823  -0.449  -2.209
  287    H    ARG  39           HN       ARG  39   8.135  -5.063  -0.162
  288    HA   ARG  39           HA       ARG  39   9.941  -3.954   1.624
  289    HB2  ARG  39          2HB       ARG  39   9.412  -6.863   0.996
  290    HB3  ARG  39          3HB       ARG  39  10.336  -6.305   2.385
  291    HG2  ARG  39          2HG       ARG  39   8.226  -4.939   2.958
  292    HG3  ARG  39          3HG       ARG  39   7.411  -6.029   1.833
  293    HD2  ARG  39          2HD       ARG  39   7.502  -7.761   3.258
  294    HD3  ARG  39          3HD       ARG  39   9.146  -7.376   3.769
  295    HE   ARG  39           HE       ARG  39   6.738  -6.684   5.114
  296   HH11  ARG  39          1HH1      ARG  39   9.963  -5.564   4.434
  297   HH12  ARG  39          2HH1      ARG  39  10.069  -4.597   5.868
  298   HH21  ARG  39          1HH2      ARG  39   6.865  -5.413   7.003
  299   HH22  ARG  39          2HH2      ARG  39   8.307  -4.512   7.328
  300    H    SER  40           HN       SER  40  10.508  -5.482  -1.428
  301    HA   SER  40           HA       SER  40  13.358  -5.805  -0.919
  302    HB2  SER  40          2HB       SER  40  11.628  -7.264  -2.430
  303    HB3  SER  40          3HB       SER  40  12.340  -6.221  -3.660
  304    HG   SER  40           HG       SER  40  13.951  -7.600  -1.799
  305    H    TRP  41           HN       TRP  41  11.158  -3.638  -2.503
  306    HA   TRP  41           HA       TRP  41  13.153  -2.320  -4.093
  307    HB2  TRP  41          2HB       TRP  41  10.761  -2.377  -4.741
  308    HB3  TRP  41          3HB       TRP  41  10.376  -1.386  -3.337
  309    HD1  TRP  41          1HD       TRP  41  10.873   1.203  -3.490
  310    HE1  TRP  41          1HE       TRP  41  11.511   2.756  -5.442
  311    HE3  TRP  41          3HE       TRP  41  12.138  -2.332  -6.960
  312    HZ2  TRP  41          2HZ       TRP  41  12.428   2.513  -8.100
  313    HZ3  TRP  41          3HZ       TRP  41  12.884  -1.589  -9.184
  314    HH2  TRP  41          2HH       TRP  41  13.025   0.784  -9.740
  315    H    PHE  42           HN       PHE  42  11.485  -1.643  -1.043
  316    HA   PHE  42           HA       PHE  42  12.696   0.889  -0.623
  317    HB2  PHE  42          2HB       PHE  42  11.269  -1.052   1.184
  318    HB3  PHE  42          3HB       PHE  42  11.972   0.438   1.805
  319    HD1  PHE  42          1HD       PHE  42  10.877   0.882  -1.516
  320    HD2  PHE  42          2HD       PHE  42   9.482   0.696   2.501
  321    HE1  PHE  42          1HE       PHE  42   8.846   2.108  -2.169
  322    HE2  PHE  42          2HE       PHE  42   7.448   1.921   1.855
  323    HZ   PHE  42           HZ       PHE  42   7.128   2.628  -0.482
  324    H    GLN  43           HN       GLN  43  13.953  -2.211  -0.516
  325    HA   GLN  43           HA       GLN  43  15.720  -2.056   1.676
  326    HB2  GLN  43          2HB       GLN  43  15.556  -3.715  -0.800
  327    HB3  GLN  43          3HB       GLN  43  17.050  -3.739   0.127
  328    HG2  GLN  43          2HG       GLN  43  14.883  -4.049   1.933
  329    HG3  GLN  43          3HG       GLN  43  14.656  -5.171   0.593
  330   HE21  GLN  43          1HE2      GLN  43  14.999  -6.809   2.227
  331   HE22  GLN  43          2HE2      GLN  43  16.612  -7.255   2.655
  332    H    ARG  44           HN       ARG  44  16.012  -1.066  -1.696
  333    HA   ARG  44           HA       ARG  44  18.514   0.319  -0.988
  334    HB2  ARG  44          2HB       ARG  44  17.881  -0.914  -3.675
  335    HB3  ARG  44          3HB       ARG  44  19.378  -0.115  -3.211
  336    HG2  ARG  44          2HG       ARG  44  19.594  -1.919  -1.426
  337    HG3  ARG  44          3HG       ARG  44  18.320  -2.768  -2.303
  338    HD2  ARG  44          2HD       ARG  44  19.725  -2.619  -4.353
  339    HD3  ARG  44          3HD       ARG  44  21.014  -1.933  -3.365
  340    HE   ARG  44           HE       ARG  44  20.208  -4.350  -2.210
  341   HH11  ARG  44          1HH1      ARG  44  21.791  -3.179  -5.081
  342   HH12  ARG  44          2HH1      ARG  44  22.730  -4.618  -5.307
  343   HH21  ARG  44          1HH2      ARG  44  21.439  -6.249  -2.498
  344   HH22  ARG  44          2HH2      ARG  44  22.528  -6.364  -3.837
  345    H    GLN  45           HN       GLN  45  15.359   0.556  -2.122
  346    HA   GLN  45           HA       GLN  45  15.820   3.336  -2.917
  347    HB2  GLN  45          2HB       GLN  45  14.313   1.270  -4.511
  348    HB3  GLN  45          3HB       GLN  45  14.079   2.997  -4.741
  349    HG2  GLN  45          2HG       GLN  45  15.603   2.357  -6.392
  350    HG3  GLN  45          3HG       GLN  45  16.574   3.138  -5.147
  351   HE21  GLN  45          1HE2      GLN  45  15.291  -0.113  -5.786
  352   HE22  GLN  45          2HE2      GLN  45  16.777  -0.942  -5.487
  353    H    GLN  46           HN       GLN  46  14.903   4.129  -1.059
  354    HA   GLN  46           HA       GLN  46  12.408   3.166  -0.042
  355    HB2  GLN  46          2HB       GLN  46  12.794   4.519   1.744
  356    HB3  GLN  46          3HB       GLN  46  14.431   4.494   1.102
  357    HG2  GLN  46          2HG       GLN  46  12.362   6.638   0.681
  358    HG3  GLN  46          3HG       GLN  46  13.817   6.744   1.672
  359   HE21  GLN  46          1HE2      GLN  46  13.411   8.636  -0.189
  360   HE22  GLN  46          2HE2      GLN  46  14.505   8.441  -1.511
  361    H    THR  47           HN       THR  47  12.969   4.726  -2.789
  362    HA   THR  47           HA       THR  47  10.746   6.622  -2.575
  363    HB   THR  47           HB       THR  47  11.760   6.711  -5.190
  364    HG1  THR  47          1HG       THR  47  13.956   6.773  -4.943
  365   HG21  THR  47          1HG2      THR  47  10.969   8.553  -3.621
  366   HG22  THR  47          2HG2      THR  47  12.356   8.930  -4.642
  367   HG23  THR  47          3HG2      THR  47  12.596   8.529  -2.942
  368    H    CYS  48           HN       CYS  48   8.948   6.534  -3.927
  369    HA   CYS  48           HA       CYS  48   7.837   4.064  -4.460
  370    HB2  CYS  48          2HB       CYS  48   6.985   6.676  -4.626
  371    HB3  CYS  48          3HB       CYS  48   6.934   6.153  -6.306
  372    HA   PRO  49           HA       PRO  49   9.872   2.626  -8.095
  373    HB2  PRO  49          2HB       PRO  49   8.026   0.799  -8.886
  374    HB3  PRO  49          3HB       PRO  49   9.104   0.541  -7.509
  375    HG2  PRO  49          2HG       PRO  49   6.250   1.441  -7.538
  376    HG3  PRO  49          3HG       PRO  49   7.043   0.271  -6.466
  377    HD2  PRO  49          2HD       PRO  49   6.540   2.825  -5.717
  378    HD3  PRO  49          3HD       PRO  49   7.950   1.918  -5.133
  379    H    THR  50           HN       THR  50   7.202   4.575  -8.072
  380    HA   THR  50           HA       THR  50   7.218   4.774 -11.005
  381    HB   THR  50           HB       THR  50   5.167   3.585 -10.366
  382    HG1  THR  50          1HG       THR  50   3.795   5.692 -11.065
  383   HG21  THR  50          1HG2      THR  50   3.507   4.530  -8.952
  384   HG22  THR  50          2HG2      THR  50   4.355   6.075  -8.874
  385   HG23  THR  50          3HG2      THR  50   5.033   4.656  -8.078
  386    H    CYS  51           HN       CYS  51   6.086   6.368  -8.023
  387    HA   CYS  51           HA       CYS  51   6.507   8.974  -9.289
  388    HB2  CYS  51          2HB       CYS  51   5.082   9.893  -7.683
  389    HB3  CYS  51          3HB       CYS  51   4.378   8.305  -7.972
  390    H    ARG  52           HN       ARG  52   8.244   6.814  -7.511
  391    HA   ARG  52           HA       ARG  52   9.921   6.977  -5.923
  392    HB2  ARG  52          2HB       ARG  52  11.648   8.753  -6.869
  393    HB3  ARG  52          3HB       ARG  52  11.351   7.227  -7.691
  394    HG2  ARG  52          2HG       ARG  52  11.277   8.756  -9.416
  395    HG3  ARG  52          3HG       ARG  52   9.571   8.551  -9.012
  396    HD2  ARG  52          2HD       ARG  52  10.091  10.568  -7.381
  397    HD3  ARG  52          3HD       ARG  52  11.375  10.869  -8.551
  398    HE   ARG  52           HE       ARG  52   8.527  11.173  -8.964
  399   HH11  ARG  52          1HH1      ARG  52  11.673  10.895 -10.430
  400   HH12  ARG  52          2HH1      ARG  52  11.189  11.640 -11.917
  401   HH21  ARG  52          1HH2      ARG  52   7.879  12.156 -10.918
  402   HH22  ARG  52          2HH2      ARG  52   9.032  12.359 -12.193
  403    H    MET  53           HN       MET  53   7.775   8.377  -4.929
  404    HA   MET  53           HA       MET  53   8.889  10.911  -3.955
  405    HB2  MET  53          2HB       MET  53   6.622  10.953  -4.964
  406    HB3  MET  53          3HB       MET  53   6.068   9.851  -3.710
  407    HG2  MET  53          2HG       MET  53   6.210  11.454  -2.051
  408    HG3  MET  53          3HG       MET  53   7.337  12.450  -2.971
  409    HE1  MET  53          1HE       MET  53   3.073  12.097  -2.590
  410    HE2  MET  53          2HE       MET  53   3.142  11.605  -4.282
  411    HE3  MET  53          3HE       MET  53   4.087  10.737  -3.071
  412    H    ASP  54           HN       ASP  54   9.937  10.812  -2.089
  413    HA   ASP  54           HA       ASP  54  10.299   8.806  -0.362
  414    HB2  ASP  54          2HB       ASP  54  11.507  10.712   0.174
  415    HB3  ASP  54          3HB       ASP  54  10.088  11.754   0.117
  416    H    VAL  55           HN       VAL  55   9.140   7.576   0.971
  417    HA   VAL  55           HA       VAL  55   6.444   8.503   1.724
  418    HB   VAL  55           HB       VAL  55   5.916   6.025   1.942
  419   HG11  VAL  55          1HG1      VAL  55   6.576   6.876  -0.866
  420   HG12  VAL  55          2HG1      VAL  55   5.250   5.849  -0.316
  421   HG13  VAL  55          3HG1      VAL  55   5.242   7.574   0.052
  422   HG21  VAL  55          1HG2      VAL  55   7.280   4.451   0.751
  423   HG22  VAL  55          2HG2      VAL  55   8.361   5.731   0.201
  424   HG23  VAL  55          3HG2      VAL  55   8.301   5.302   1.910
  425    H    LEU  56           HN       LEU  56   9.291   6.689   2.767
  426    HA   LEU  56           HA       LEU  56   8.672   5.790   5.227
  427    HB2  LEU  56          2HB       LEU  56  11.086   6.860   3.987
  428    HB3  LEU  56          3HB       LEU  56  11.079   7.015   5.743
  429    HG   LEU  56           HG       LEU  56  12.221   4.978   4.979
  430   HD11  LEU  56          1HD1      LEU  56  11.117   3.435   6.477
  431   HD12  LEU  56          2HD1      LEU  56   9.643   4.404   6.434
  432   HD13  LEU  56          3HD1      LEU  56  11.107   5.057   7.171
  433   HD21  LEU  56          1HD2      LEU  56  11.127   3.239   3.836
  434   HD22  LEU  56          2HD2      LEU  56  10.696   4.710   2.963
  435   HD23  LEU  56          3HD2      LEU  56   9.540   3.971   4.070
  Start of MODEL    6
    1    H1   ALA   1           HN       ALA   1  -4.161  -4.318  -0.148
    2    HA   ALA   1           HA       ALA   1  -5.878  -2.275  -0.307
    3    HB1  ALA   1          1HB       ALA   1  -4.333  -1.834  -1.856
    4    HB2  ALA   1          2HB       ALA   1  -4.079  -3.543  -2.213
    5    HB3  ALA   1          3HB       ALA   1  -5.402  -2.669  -2.985
    6    H    THR   2           HN       THR   2  -7.840  -1.754  -1.190
    7    HA   THR   2           HA       THR   2  -9.720  -3.875  -1.516
    8    HB   THR   2           HB       THR   2 -11.087  -1.712  -2.410
    9    HG1  THR   2          1HG       THR   2 -10.311   0.115  -1.359
   10   HG21  THR   2          1HG2      THR   2 -10.930  -1.505   0.442
   11   HG22  THR   2          2HG2      THR   2 -10.875  -3.205  -0.025
   12   HG23  THR   2          3HG2      THR   2 -12.216  -2.188  -0.551
   13    HA   PRO   3           HA       PRO   3  -9.758  -4.521  -5.856
   14    HB2  PRO   3          2HB       PRO   3 -12.409  -4.741  -6.401
   15    HB3  PRO   3          3HB       PRO   3 -11.501  -5.984  -5.532
   16    HG2  PRO   3          2HG       PRO   3 -13.277  -3.832  -4.448
   17    HG3  PRO   3          3HG       PRO   3 -13.168  -5.537  -3.974
   18    HD2  PRO   3          2HD       PRO   3 -11.990  -3.552  -2.559
   19    HD3  PRO   3          3HD       PRO   3 -11.301  -5.183  -2.670
   20    H    GLU   4           HN       GLU   4 -11.992  -2.016  -4.722
   21    HA   GLU   4           HA       GLU   4 -12.416  -0.787  -7.226
   22    HB2  GLU   4          2HB       GLU   4 -13.535  -0.490  -4.798
   23    HB3  GLU   4          3HB       GLU   4 -12.468   0.906  -4.793
   24    HG2  GLU   4          2HG       GLU   4 -13.850   2.039  -6.094
   25    HG3  GLU   4          3HG       GLU   4 -13.856   0.747  -7.294
   26    H    GLU   5           HN       GLU   5 -10.129  -0.087  -4.603
   27    HA   GLU   5           HA       GLU   5  -8.918   2.120  -5.932
   28    HB2  GLU   5          2HB       GLU   5  -7.956   0.401  -3.639
   29    HB3  GLU   5          3HB       GLU   5  -7.136   1.853  -4.195
   30    HG2  GLU   5          2HG       GLU   5  -9.976   1.802  -3.210
   31    HG3  GLU   5          3HG       GLU   5  -8.582   2.173  -2.197
   32    H    LEU   6           HN       LEU   6  -8.426  -1.319  -5.972
   33    HA   LEU   6           HA       LEU   6  -5.808  -1.245  -7.125
   34    HB2  LEU   6          2HB       LEU   6  -7.831  -3.315  -6.506
   35    HB3  LEU   6          3HB       LEU   6  -6.659  -3.697  -7.766
   36    HG   LEU   6           HG       LEU   6  -5.823  -2.790  -5.024
   37   HD11  LEU   6          1HD1      LEU   6  -7.299  -4.865  -5.011
   38   HD12  LEU   6          2HD1      LEU   6  -5.704  -5.007  -4.274
   39   HD13  LEU   6          3HD1      LEU   6  -5.991  -5.661  -5.886
   40   HD21  LEU   6          1HD2      LEU   6  -4.469  -4.150  -7.339
   41   HD22  LEU   6          2HD2      LEU   6  -3.783  -4.130  -5.714
   42   HD23  LEU   6          3HD2      LEU   6  -4.057  -2.614  -6.575
   43    H    GLN   7           HN       GLN   7  -8.979  -2.205  -8.452
   44    HA   GLN   7           HA       GLN   7  -8.102  -2.329 -11.128
   45    HB2  GLN   7          2HB       GLN   7 -10.448  -2.922  -9.748
   46    HB3  GLN   7          3HB       GLN   7 -10.915  -1.649 -10.868
   47    HG2  GLN   7          2HG       GLN   7  -9.690  -3.082 -12.635
   48    HG3  GLN   7          3HG       GLN   7  -9.851  -4.378 -11.450
   49   HE21  GLN   7          1HE2      GLN   7 -11.094  -3.694 -14.160
   50   HE22  GLN   7          2HE2      GLN   7 -12.784  -3.947 -13.904
   51    H    ALA   8           HN       ALA   8  -8.445   0.312  -9.147
   52    HA   ALA   8           HA       ALA   8  -9.239   2.147 -11.280
   53    HB1  ALA   8          1HB       ALA   8  -8.816   2.532  -8.325
   54    HB2  ALA   8          2HB       ALA   8  -9.140   3.860  -9.440
   55    HB3  ALA   8          3HB       ALA   8 -10.335   2.581  -9.221
   56    H    MET   9           HN       MET   9  -6.559   0.652 -10.897
   57    HA   MET   9           HA       MET   9  -4.923   2.824 -11.829
   58    HB2  MET   9          2HB       MET   9  -3.228   2.734 -10.128
   59    HB3  MET   9          3HB       MET   9  -4.772   3.048  -9.349
   60    HG2  MET   9          2HG       MET   9  -4.626   1.213  -8.114
   61    HG3  MET   9          3HG       MET   9  -4.214   0.218  -9.508
   62    HE1  MET   9          1HE       MET   9  -2.354  -0.701 -10.037
   63    HE2  MET   9          2HE       MET   9  -1.072   0.465 -10.361
   64    HE3  MET   9          3HE       MET   9  -0.853  -0.762  -9.113
   65    H    ASP  10           HN       ASP  10  -5.885   0.265 -12.799
   66    HA   ASP  10           HA       ASP  10  -5.056  -1.340 -14.205
   67    HB2  ASP  10          2HB       ASP  10  -2.921   0.427 -14.000
   68    HB3  ASP  10          3HB       ASP  10  -2.221  -1.133 -13.574
   69    H    ASN  11           HN       ASN  11  -4.637  -1.160 -10.917
   70    HA   ASN  11           HA       ASN  11  -3.974  -2.644  -9.279
   71    HB2  ASN  11          2HB       ASN  11  -5.448  -4.456  -9.171
   72    HB3  ASN  11          3HB       ASN  11  -6.300  -3.313 -10.207
   73   HD21  ASN  11          1HD2      ASN  11  -4.791  -6.384  -9.979
   74   HD22  ASN  11          2HD2      ASN  11  -5.159  -6.930 -11.576
   75    H    VAL  12           HN       VAL  12  -2.037  -2.435 -11.428
   76    HA   VAL  12           HA       VAL  12  -0.895  -5.151 -11.320
   77    HB   VAL  12           HB       VAL  12  -0.881  -3.127 -13.527
   78   HG11  VAL  12          1HG1      VAL  12   1.438  -3.469 -13.302
   79   HG12  VAL  12          2HG1      VAL  12   1.234  -5.191 -12.972
   80   HG13  VAL  12          3HG1      VAL  12   0.928  -4.560 -14.591
   81   HG21  VAL  12          1HG2      VAL  12  -1.912  -4.728 -14.733
   82   HG22  VAL  12          2HG2      VAL  12  -0.934  -6.025 -14.047
   83   HG23  VAL  12          3HG2      VAL  12  -2.310  -5.389 -13.148
   84    H    CYS  13           HN       CYS  13   1.018  -5.361 -10.348
   85    HA   CYS  13           HA       CYS  13   2.236  -3.180  -9.019
   86    HB2  CYS  13          2HB       CYS  13   2.383  -5.429  -8.113
   87    HB3  CYS  13          3HB       CYS  13   3.247  -5.983  -9.545
   88    H    ILE  14           HN       ILE  14   3.397  -1.635  -9.939
   89    HA   ILE  14           HA       ILE  14   4.473  -1.794 -12.545
   90    HB   ILE  14           HB       ILE  14   3.846   0.298 -11.140
   91   HG12  ILE  14          2HG1      ILE  14   4.610   0.486 -13.414
   92   HG13  ILE  14          3HG1      ILE  14   5.487   1.670 -12.450
   93   HG21  ILE  14          1HG2      ILE  14   5.736   1.381 -10.041
   94   HG22  ILE  14          2HG2      ILE  14   5.362  -0.165  -9.282
   95   HG23  ILE  14          3HG2      ILE  14   6.744  -0.028 -10.370
   96   HD11  ILE  14          1HD1      ILE  14   7.286  -0.200 -12.297
   97   HD12  ILE  14          2HD1      ILE  14   6.467  -0.836 -13.723
   98   HD13  ILE  14          3HD1      ILE  14   7.154   0.788 -13.751
   99    H    ILE  15           HN       ILE  15   5.997  -1.956  -9.340
  100    HA   ILE  15           HA       ILE  15   8.620  -1.982  -9.779
  101    HB   ILE  15           HB       ILE  15   7.188  -4.139  -8.223
  102   HG12  ILE  15          2HG1      ILE  15   8.499  -1.778  -6.959
  103   HG13  ILE  15          3HG1      ILE  15   6.946  -1.532  -7.750
  104   HG21  ILE  15          1HG2      ILE  15   9.220  -5.042  -8.025
  105   HG22  ILE  15          2HG2      ILE  15  10.008  -3.623  -8.711
  106   HG23  ILE  15          3HG2      ILE  15   9.604  -3.663  -6.995
  107   HD11  ILE  15          1HD1      ILE  15   6.420  -1.949  -5.522
  108   HD12  ILE  15          2HD1      ILE  15   6.122  -3.486  -6.333
  109   HD13  ILE  15          3HD1      ILE  15   7.596  -3.256  -5.392
  110    H    CYS  16           HN       CYS  16   6.562  -4.810 -10.447
  111    HA   CYS  16           HA       CYS  16   8.698  -5.831 -12.204
  112    HB2  CYS  16          2HB       CYS  16   7.840  -8.088 -11.765
  113    HB3  CYS  16          3HB       CYS  16   8.316  -7.289 -10.269
  114    H    ARG  17           HN       ARG  17   5.814  -4.316 -12.266
  115    HA   ARG  17           HA       ARG  17   4.070  -4.147 -13.733
  116    HB2  ARG  17          2HB       ARG  17   6.412  -4.829 -15.497
  117    HB3  ARG  17          3HB       ARG  17   4.821  -4.497 -16.170
  118    HG2  ARG  17          2HG       ARG  17   5.121  -2.354 -14.559
  119    HG3  ARG  17          3HG       ARG  17   6.801  -2.669 -15.000
  120    HD2  ARG  17          2HD       ARG  17   5.399  -2.932 -17.382
  121    HD3  ARG  17          3HD       ARG  17   4.647  -1.553 -16.582
  122    HE   ARG  17           HE       ARG  17   7.338  -1.711 -17.629
  123   HH11  ARG  17          1HH1      ARG  17   5.119  -0.023 -15.544
  124   HH12  ARG  17          2HH1      ARG  17   6.025   1.454 -15.558
  125   HH21  ARG  17          1HH2      ARG  17   8.539   0.229 -17.657
  126   HH22  ARG  17          2HH2      ARG  17   7.969   1.596 -16.761
  127    H    GLU  18           HN       GLU  18   3.495  -6.292 -12.463
  128    HA   GLU  18           HA       GLU  18   3.042  -8.408 -14.463
  129    HB2  GLU  18          2HB       GLU  18   3.377  -8.582 -11.470
  130    HB3  GLU  18          3HB       GLU  18   2.752  -9.910 -12.439
  131    HG2  GLU  18          2HG       GLU  18   4.813 -10.052 -13.667
  132    HG3  GLU  18          3HG       GLU  18   5.440  -8.622 -12.848
  133    H    GLU  19           HN       GLU  19   1.489  -8.356 -11.353
  134    HA   GLU  19           HA       GLU  19  -0.881  -7.010 -12.059
  135    HB2  GLU  19          2HB       GLU  19  -0.667  -9.611 -13.163
  136    HB3  GLU  19          3HB       GLU  19  -1.840  -9.703 -11.857
  137    HG2  GLU  19          2HG       GLU  19  -3.357  -8.911 -13.253
  138    HG3  GLU  19          3HG       GLU  19  -2.485  -7.378 -13.253
  139    H    MET  20           HN       MET  20  -2.362  -6.916 -10.355
  140    HA   MET  20           HA       MET  20  -1.584  -8.355  -7.908
  141    HB2  MET  20          2HB       MET  20  -2.088  -5.433  -8.319
  142    HB3  MET  20          3HB       MET  20  -2.480  -6.164  -6.768
  143    HG2  MET  20          2HG       MET  20  -0.229  -6.793  -6.394
  144    HG3  MET  20          3HG       MET  20   0.223  -6.403  -8.051
  145    HE1  MET  20          1HE       MET  20  -1.341  -2.941  -7.945
  146    HE2  MET  20          2HE       MET  20   0.349  -2.848  -8.439
  147    HE3  MET  20          3HE       MET  20  -0.654  -4.198  -8.975
  148    H    VAL  21           HN       VAL  21  -3.199  -9.816  -7.773
  149    HA   VAL  21           HA       VAL  21  -5.935  -9.101  -8.374
  150    HB   VAL  21           HB       VAL  21  -6.276 -11.513  -7.369
  151   HG11  VAL  21          1HG1      VAL  21  -5.178 -10.678 -10.014
  152   HG12  VAL  21          2HG1      VAL  21  -5.402 -12.395  -9.673
  153   HG13  VAL  21          3HG1      VAL  21  -6.779 -11.293  -9.604
  154   HG21  VAL  21          1HG2      VAL  21  -3.396 -11.707  -8.210
  155   HG22  VAL  21          2HG2      VAL  21  -3.879 -11.504  -6.526
  156   HG23  VAL  21          3HG2      VAL  21  -4.393 -12.932  -7.425
  157    H    THR  22           HN       THR  22  -3.915  -9.474  -5.563
  158    HA   THR  22           HA       THR  22  -5.621  -8.053  -3.865
  159    HB   THR  22           HB       THR  22  -6.920 -10.261  -4.134
  160    HG1  THR  22          1HG       THR  22  -6.657  -8.584  -2.146
  161   HG21  THR  22          1HG2      THR  22  -4.764 -11.176  -2.225
  162   HG22  THR  22          2HG2      THR  22  -4.994 -11.762  -3.872
  163   HG23  THR  22          3HG2      THR  22  -6.223 -12.071  -2.647
  164    H    GLY  23           HN       GLY  23  -3.051 -10.379  -4.270
  165    HA2  GLY  23          1HA       GLY  23  -1.941 -10.058  -1.649
  166    HA3  GLY  23          2HA       GLY  23  -1.158 -10.819  -3.026
  167    H    ALA  24           HN       ALA  24  -2.255  -7.540  -2.141
  168    HA   ALA  24           HA       ALA  24   0.447  -6.536  -2.452
  169    HB1  ALA  24          1HB       ALA  24  -0.851  -4.675  -3.971
  170    HB2  ALA  24          2HB       ALA  24   0.145  -5.988  -4.602
  171    HB3  ALA  24          3HB       ALA  24  -1.606  -6.178  -4.503
  172    H    LYS  25           HN       LYS  25   0.649  -4.279  -1.777
  173    HA   LYS  25           HA       LYS  25  -1.447  -3.560   0.163
  174    HB2  LYS  25          2HB       LYS  25   1.439  -2.671   0.204
  175    HB3  LYS  25          3HB       LYS  25   0.247  -2.495   1.487
  176    HG2  LYS  25          2HG       LYS  25   1.416  -5.085   0.488
  177    HG3  LYS  25          3HG       LYS  25   1.808  -4.271   2.005
  178    HD2  LYS  25          2HD       LYS  25  -0.926  -4.476   2.122
  179    HD3  LYS  25          3HD       LYS  25  -0.462  -5.978   1.319
  180    HE2  LYS  25          2HE       LYS  25   1.370  -5.909   3.291
  181    HE3  LYS  25          3HE       LYS  25   0.042  -5.058   4.079
  182    HZ1  LYS  25          1HZ       LYS  25  -1.248  -6.903   4.108
  183    HZ2  LYS  25          2HZ       LYS  25   0.257  -7.673   4.134
  184    HZ3  LYS  25          3HZ       LYS  25  -0.599  -7.540   2.680
  185    H    ARG  26           HN       ARG  26  -1.264  -1.077   0.699
  186    HA   ARG  26           HA       ARG  26  -1.217   0.374  -1.866
  187    HB2  ARG  26          2HB       ARG  26  -3.506   0.066  -1.035
  188    HB3  ARG  26          3HB       ARG  26  -3.059   0.817   0.490
  189    HG2  ARG  26          2HG       ARG  26  -2.807   2.933  -0.503
  190    HG3  ARG  26          3HG       ARG  26  -2.807   2.254  -2.131
  191    HD2  ARG  26          2HD       ARG  26  -4.935   3.300  -1.708
  192    HD3  ARG  26          3HD       ARG  26  -5.154   1.553  -1.797
  193    HE   ARG  26           HE       ARG  26  -5.891   1.595   0.359
  194   HH11  ARG  26          1HH1      ARG  26  -4.041   4.483  -0.237
  195   HH12  ARG  26          2HH1      ARG  26  -4.392   5.183   1.308
  196   HH21  ARG  26          1HH2      ARG  26  -6.361   2.505   2.396
  197   HH22  ARG  26          2HH2      ARG  26  -5.711   4.057   2.806
  198    H    LEU  27           HN       LEU  27  -0.337   2.422  -1.903
  199    HA   LEU  27           HA       LEU  27   1.315   3.101   0.419
  200    HB2  LEU  27          2HB       LEU  27   1.423   3.908  -2.475
  201    HB3  LEU  27          3HB       LEU  27   2.408   4.681  -1.234
  202    HG   LEU  27           HG       LEU  27   2.522   1.772  -2.032
  203   HD11  LEU  27          1HD1      LEU  27   4.699   3.799  -2.373
  204   HD12  LEU  27          2HD1      LEU  27   3.447   3.595  -3.599
  205   HD13  LEU  27          3HD1      LEU  27   4.490   2.239  -3.171
  206   HD21  LEU  27          1HD2      LEU  27   4.612   1.860  -0.594
  207   HD22  LEU  27          2HD2      LEU  27   3.068   1.864   0.258
  208   HD23  LEU  27          3HD2      LEU  27   3.973   3.366   0.064
  209    HA   PRO  28           HA       PRO  28  -1.052   6.635   1.505
  210    HB2  PRO  28          2HB       PRO  28   0.891   8.299   2.416
  211    HB3  PRO  28          3HB       PRO  28   0.354   6.871   3.307
  212    HG2  PRO  28          2HG       PRO  28   2.757   7.217   1.556
  213    HG3  PRO  28          3HG       PRO  28   2.625   6.405   3.127
  214    HD2  PRO  28          2HD       PRO  28   2.658   5.049   0.784
  215    HD3  PRO  28          3HD       PRO  28   1.751   4.484   2.201
  216    H    CYS  29           HN       CYS  29   0.891   6.570  -1.156
  217    HA   CYS  29           HA       CYS  29   0.388   9.392  -1.827
  218    HB2  CYS  29          2HB       CYS  29   2.094   8.915  -3.681
  219    HB3  CYS  29          3HB       CYS  29   2.703   9.017  -2.032
  220    H    ASN  30           HN       ASN  30  -1.011   6.500  -2.195
  221    HA   ASN  30           HA       ASN  30  -2.797   5.911  -3.522
  222    HB2  ASN  30          2HB       ASN  30  -2.763   8.496  -4.077
  223    HB3  ASN  30          3HB       ASN  30  -2.117   7.932  -5.615
  224   HD21  ASN  30          1HD2      ASN  30  -3.819   8.354  -6.902
  225   HD22  ASN  30          2HD2      ASN  30  -5.376   7.622  -6.733
  226    H    HIS  31           HN       HIS  31  -0.605   4.441  -3.600
  227    HA   HIS  31           HA       HIS  31  -0.542   3.505  -6.343
  228    HB2  HIS  31          2HB       HIS  31   1.995   4.307  -4.902
  229    HB3  HIS  31          3HB       HIS  31   1.931   3.436  -6.431
  230    HD2  HIS  31          2HD       HIS  31   0.182   5.151  -8.335
  231    HE1  HIS  31          1HE       HIS  31   2.184   8.590  -6.862
  232    HE2  HIS  31          2HE       HIS  31   0.678   7.668  -8.660
  233    H    ILE  32           HN       ILE  32  -1.047   1.433  -6.122
  234    HA   ILE  32           HA       ILE  32  -0.212  -0.022  -3.731
  235    HB   ILE  32           HB       ILE  32  -2.222  -0.585  -5.890
  236   HG12  ILE  32          2HG1      ILE  32  -2.837  -0.974  -3.030
  237   HG13  ILE  32          3HG1      ILE  32  -2.439   0.679  -3.485
  238   HG21  ILE  32          1HG2      ILE  32  -0.698  -2.525  -4.336
  239   HG22  ILE  32          2HG2      ILE  32  -2.443  -2.703  -4.158
  240   HG23  ILE  32          3HG2      ILE  32  -1.711  -2.757  -5.762
  241   HD11  ILE  32          1HD1      ILE  32  -4.585   0.873  -4.019
  242   HD12  ILE  32          2HD1      ILE  32  -4.198  -0.093  -5.444
  243   HD13  ILE  32          3HD1      ILE  32  -4.835  -0.873  -3.996
  244    H    PHE  33           HN       PHE  33   1.210  -1.680  -3.728
  245    HA   PHE  33           HA       PHE  33   2.128  -2.818  -6.247
  246    HB2  PHE  33          2HB       PHE  33   4.043  -1.553  -4.276
  247    HB3  PHE  33          3HB       PHE  33   4.488  -2.417  -5.744
  248    HD1  PHE  33          1HD       PHE  33   3.481  -1.463  -7.956
  249    HD2  PHE  33          2HD       PHE  33   3.850   0.739  -4.333
  250    HE1  PHE  33          1HE       PHE  33   3.372   0.641  -9.227
  251    HE2  PHE  33          2HE       PHE  33   3.740   2.846  -5.598
  252    HZ   PHE  33           HZ       PHE  33   3.500   2.798  -8.049
  253    H    HIS  34           HN       HIS  34   3.279  -4.800  -6.001
  254    HA   HIS  34           HA       HIS  34   2.272  -6.610  -4.236
  255    HB2  HIS  34          2HB       HIS  34   4.951  -6.528  -5.611
  256    HB3  HIS  34          3HB       HIS  34   4.465  -7.898  -4.616
  257    HD2  HIS  34          2HD       HIS  34   1.302  -7.936  -5.802
  258    HE1  HIS  34          1HE       HIS  34   3.299  -8.789  -9.447
  259    HE2  HIS  34          2HE       HIS  34   1.087  -8.770  -8.241
  260    H    THR  35           HN       THR  35   2.724  -7.368  -2.213
  261    HA   THR  35           HA       THR  35   3.971  -5.583  -0.386
  262    HB   THR  35           HB       THR  35   3.368  -8.443   0.297
  263    HG1  THR  35          1HG       THR  35   1.180  -7.251   0.785
  264   HG21  THR  35          1HG2      THR  35   3.130  -5.825   1.783
  265   HG22  THR  35          2HG2      THR  35   4.337  -7.084   2.047
  266   HG23  THR  35          3HG2      THR  35   2.642  -7.393   2.424
  267    H    SER  36           HN       SER  36   5.153  -8.112  -2.343
  268    HA   SER  36           HA       SER  36   7.496  -8.568  -0.657
  269    HB2  SER  36          2HB       SER  36   8.076 -10.288  -2.377
  270    HB3  SER  36          3HB       SER  36   6.509 -10.558  -1.617
  271    HG   SER  36           HG       SER  36   5.501  -9.821  -3.439
  272    H    CYS  37           HN       CYS  37   6.534  -6.990  -3.612
  273    HA   CYS  37           HA       CYS  37   9.214  -6.533  -4.545
  274    HB2  CYS  37          2HB       CYS  37   6.558  -5.359  -5.387
  275    HB3  CYS  37          3HB       CYS  37   8.087  -5.022  -6.193
  276    H    LEU  38           HN       LEU  38   6.855  -4.804  -2.626
  277    HA   LEU  38           HA       LEU  38   8.135  -2.271  -2.709
  278    HB2  LEU  38          2HB       LEU  38   6.072  -3.532  -0.952
  279    HB3  LEU  38          3HB       LEU  38   6.773  -1.975  -0.516
  280    HG   LEU  38           HG       LEU  38   5.284  -2.563  -3.075
  281   HD11  LEU  38          1HD1      LEU  38   4.420  -1.694  -0.407
  282   HD12  LEU  38          2HD1      LEU  38   3.504  -2.449  -1.711
  283   HD13  LEU  38          3HD1      LEU  38   3.820  -0.714  -1.746
  284   HD21  LEU  38          1HD2      LEU  38   7.127  -0.549  -2.490
  285   HD22  LEU  38          2HD2      LEU  38   5.542   0.208  -2.330
  286   HD23  LEU  38          3HD2      LEU  38   5.989  -0.597  -3.835
  287    H    ARG  39           HN       ARG  39   7.991  -4.735  -0.131
  288    HA   ARG  39           HA       ARG  39   9.834  -3.514   1.580
  289    HB2  ARG  39          2HB       ARG  39   9.215  -6.457   1.256
  290    HB3  ARG  39          3HB       ARG  39  10.058  -5.741   2.623
  291    HG2  ARG  39          2HG       ARG  39   7.887  -4.271   2.779
  292    HG3  ARG  39          3HG       ARG  39   7.180  -5.626   1.896
  293    HD2  ARG  39          2HD       ARG  39   7.384  -7.052   3.651
  294    HD3  ARG  39          3HD       ARG  39   8.868  -6.295   4.230
  295    HE   ARG  39           HE       ARG  39   6.708  -4.533   4.614
  296   HH11  ARG  39          1HH1      ARG  39   7.995  -7.528   5.833
  297   HH12  ARG  39          2HH1      ARG  39   7.326  -7.321   7.418
  298   HH21  ARG  39          1HH2      ARG  39   5.822  -4.249   6.696
  299   HH22  ARG  39          2HH2      ARG  39   6.090  -5.456   7.907
  300    H    SER  40           HN       SER  40  10.295  -5.361  -1.308
  301    HA   SER  40           HA       SER  40  13.126  -5.788  -0.769
  302    HB2  SER  40          2HB       SER  40  11.298  -6.636  -3.015
  303    HB3  SER  40          3HB       SER  40  13.045  -6.873  -3.081
  304    HG   SER  40           HG       SER  40  12.464  -8.688  -2.130
  305    H    TRP  41           HN       TRP  41  11.058  -3.596  -2.421
  306    HA   TRP  41           HA       TRP  41  13.050  -2.605  -4.243
  307    HB2  TRP  41          2HB       TRP  41  10.721  -2.450  -4.880
  308    HB3  TRP  41          3HB       TRP  41  10.346  -1.523  -3.429
  309    HD1  TRP  41          1HD       TRP  41  10.787   1.064  -3.488
  310    HE1  TRP  41          1HE       TRP  41  11.477   2.702  -5.351
  311    HE3  TRP  41          3HE       TRP  41  12.218  -2.313  -7.050
  312    HZ2  TRP  41          2HZ       TRP  41  12.492   2.578  -7.982
  313    HZ3  TRP  41          3HZ       TRP  41  13.036  -1.472  -9.213
  314    HH2  TRP  41          2HH       TRP  41  13.169   0.924  -9.667
  315    H    PHE  42           HN       PHE  42  11.532  -1.406  -1.260
  316    HA   PHE  42           HA       PHE  42  13.133   0.947  -1.132
  317    HB2  PHE  42          2HB       PHE  42  11.492  -0.455   0.986
  318    HB3  PHE  42          3HB       PHE  42  12.239   1.126   1.190
  319    HD1  PHE  42          1HD       PHE  42   9.213  -0.101   0.980
  320    HD2  PHE  42          2HD       PHE  42  11.716   2.422  -1.363
  321    HE1  PHE  42          1HE       PHE  42   7.220   0.960   0.000
  322    HE2  PHE  42          2HE       PHE  42   9.728   3.487  -2.345
  323    HZ   PHE  42           HZ       PHE  42   7.477   2.758  -1.664
  324    H    GLN  43           HN       GLN  43  13.730  -2.312  -0.411
  325    HA   GLN  43           HA       GLN  43  15.332  -2.406   1.773
  326    HB2  GLN  43          2HB       GLN  43  15.134  -3.903  -0.709
  327    HB3  GLN  43          3HB       GLN  43  16.780  -3.887  -0.088
  328    HG2  GLN  43          2HG       GLN  43  15.076  -4.396   2.099
  329    HG3  GLN  43          3HG       GLN  43  14.549  -5.431   0.772
  330   HE21  GLN  43          1HE2      GLN  43  15.393  -7.368   0.986
  331   HE22  GLN  43          2HE2      GLN  43  17.015  -7.730   1.453
  332    H    ARG  44           HN       ARG  44  16.306  -1.297  -1.454
  333    HA   ARG  44           HA       ARG  44  18.717  -0.128  -0.227
  334    HB2  ARG  44          2HB       ARG  44  18.463  -0.861  -3.138
  335    HB3  ARG  44          3HB       ARG  44  19.924  -0.490  -2.234
  336    HG2  ARG  44          2HG       ARG  44  18.477  -2.761  -1.142
  337    HG3  ARG  44          3HG       ARG  44  18.973  -2.997  -2.819
  338    HD2  ARG  44          2HD       ARG  44  21.245  -1.998  -1.883
  339    HD3  ARG  44          3HD       ARG  44  20.619  -2.655  -0.373
  340    HE   ARG  44           HE       ARG  44  21.556  -4.142  -2.668
  341   HH11  ARG  44          1HH1      ARG  44  19.718  -4.208   0.287
  342   HH12  ARG  44          2HH1      ARG  44  19.850  -5.925   0.485
  343   HH21  ARG  44          1HH2      ARG  44  21.738  -6.402  -2.420
  344   HH22  ARG  44          2HH2      ARG  44  21.000  -7.171  -1.056
  345    H    GLN  45           HN       GLN  45  15.818   0.454  -1.904
  346    HA   GLN  45           HA       GLN  45  16.697   3.160  -2.654
  347    HB2  GLN  45          2HB       GLN  45  14.908   1.210  -3.896
  348    HB3  GLN  45          3HB       GLN  45  14.198   2.814  -3.773
  349    HG2  GLN  45          2HG       GLN  45  15.290   2.579  -5.896
  350    HG3  GLN  45          3HG       GLN  45  16.165   3.750  -4.911
  351   HE21  GLN  45          1HE2      GLN  45  16.225   0.597  -6.354
  352   HE22  GLN  45          2HE2      GLN  45  17.908   0.292  -6.112
  353    H    GLN  46           HN       GLN  46  14.766   4.769  -2.583
  354    HA   GLN  46           HA       GLN  46  12.993   4.328  -0.322
  355    HB2  GLN  46          2HB       GLN  46  15.281   5.341   0.416
  356    HB3  GLN  46          3HB       GLN  46  14.656   6.823  -0.296
  357    HG2  GLN  46          2HG       GLN  46  13.081   7.105   1.320
  358    HG3  GLN  46          3HG       GLN  46  12.920   5.375   1.621
  359   HE21  GLN  46          1HE2      GLN  46  13.781   4.633   3.420
  360   HE22  GLN  46          2HE2      GLN  46  15.008   5.408   4.356
  361    H    THR  47           HN       THR  47  12.427   4.574  -3.053
  362    HA   THR  47           HA       THR  47  10.721   6.938  -2.990
  363    HB   THR  47           HB       THR  47  11.604   6.858  -5.649
  364    HG1  THR  47          1HG       THR  47  13.963   7.434  -4.527
  365   HG21  THR  47          1HG2      THR  47  12.117   9.102  -5.307
  366   HG22  THR  47          2HG2      THR  47  12.656   8.829  -3.650
  367   HG23  THR  47          3HG2      THR  47  10.936   8.780  -4.039
  368    H    CYS  48           HN       CYS  48   8.829   6.723  -4.145
  369    HA   CYS  48           HA       CYS  48   7.758   4.202  -4.519
  370    HB2  CYS  48          2HB       CYS  48   6.783   6.752  -4.625
  371    HB3  CYS  48          3HB       CYS  48   6.658   6.263  -6.311
  372    HA   PRO  49           HA       PRO  49   9.543   2.754  -8.284
  373    HB2  PRO  49          2HB       PRO  49   7.731   0.814  -8.849
  374    HB3  PRO  49          3HB       PRO  49   8.943   0.653  -7.573
  375    HG2  PRO  49          2HG       PRO  49   6.055   1.408  -7.358
  376    HG3  PRO  49          3HG       PRO  49   7.004   0.314  -6.335
  377    HD2  PRO  49          2HD       PRO  49   6.439   2.861  -5.611
  378    HD3  PRO  49          3HD       PRO  49   7.942   2.044  -5.137
  379    H    THR  50           HN       THR  50   6.835   4.609  -8.072
  380    HA   THR  50           HA       THR  50   6.550   4.695 -10.994
  381    HB   THR  50           HB       THR  50   4.626   3.444  -9.966
  382    HG1  THR  50          1HG       THR  50   3.230   5.508 -10.940
  383   HG21  THR  50          1HG2      THR  50   2.978   4.620  -8.685
  384   HG22  THR  50          2HG2      THR  50   3.846   6.144  -8.870
  385   HG23  THR  50          3HG2      THR  50   4.536   4.849  -7.894
  386    H    CYS  51           HN       CYS  51   5.707   6.342  -7.950
  387    HA   CYS  51           HA       CYS  51   5.877   8.919  -9.338
  388    HB2  CYS  51          2HB       CYS  51   4.574   9.841  -7.632
  389    HB3  CYS  51          3HB       CYS  51   3.904   8.223  -7.812
  390    H    ARG  52           HN       ARG  52   7.861   6.885  -7.683
  391    HA   ARG  52           HA       ARG  52   9.679   7.151  -6.277
  392    HB2  ARG  52          2HB       ARG  52   9.981   8.827  -8.707
  393    HB3  ARG  52          3HB       ARG  52  11.162   9.076  -7.427
  394    HG2  ARG  52          2HG       ARG  52  10.986   6.313  -7.700
  395    HG3  ARG  52          3HG       ARG  52  10.952   6.940  -9.350
  396    HD2  ARG  52          2HD       ARG  52  12.953   8.025  -7.423
  397    HD3  ARG  52          3HD       ARG  52  13.229   6.439  -8.140
  398    HE   ARG  52           HE       ARG  52  12.602   8.536 -10.027
  399   HH11  ARG  52          1HH1      ARG  52  15.102   6.812  -8.324
  400   HH12  ARG  52          2HH1      ARG  52  16.340   7.216  -9.468
  401   HH21  ARG  52          1HH2      ARG  52  14.222   9.073 -11.539
  402   HH22  ARG  52          2HH2      ARG  52  15.838   8.503 -11.296
  403    H    MET  53           HN       MET  53   7.614   8.411  -5.035
  404    HA   MET  53           HA       MET  53   8.727  10.990  -4.161
  405    HB2  MET  53          2HB       MET  53   6.401  10.999  -5.076
  406    HB3  MET  53          3HB       MET  53   5.921   9.948  -3.751
  407    HG2  MET  53          2HG       MET  53   6.835  11.782  -2.218
  408    HG3  MET  53          3HG       MET  53   6.800  12.807  -3.652
  409    HE1  MET  53          1HE       MET  53   4.079  10.490  -1.402
  410    HE2  MET  53          2HE       MET  53   5.300  11.573  -0.734
  411    HE3  MET  53          3HE       MET  53   3.605  12.061  -0.754
  412    H    ASP  54           HN       ASP  54   9.834  10.904  -2.331
  413    HA   ASP  54           HA       ASP  54  10.313   8.902  -0.640
  414    HB2  ASP  54          2HB       ASP  54  11.470  10.828  -0.090
  415    HB3  ASP  54          3HB       ASP  54  10.023  11.833  -0.129
  416    H    VAL  55           HN       VAL  55   9.218   7.581   0.650
  417    HA   VAL  55           HA       VAL  55   6.562   8.441   1.605
  418    HB   VAL  55           HB       VAL  55   6.001   5.964   1.614
  419   HG11  VAL  55          1HG1      VAL  55   4.844   6.475  -0.211
  420   HG12  VAL  55          2HG1      VAL  55   5.865   7.900  -0.419
  421   HG13  VAL  55          3HG1      VAL  55   6.298   6.381  -1.205
  422   HG21  VAL  55          1HG2      VAL  55   7.314   4.653  -0.115
  423   HG22  VAL  55          2HG2      VAL  55   8.549   5.905   0.016
  424   HG23  VAL  55          3HG2      VAL  55   8.120   4.939   1.427
  425    H    LEU  56           HN       LEU  56   9.402   6.439   2.290
  426    HA   LEU  56           HA       LEU  56   8.598   5.842   4.970
  427    HB2  LEU  56          2HB       LEU  56  11.248   5.584   3.562
  428    HB3  LEU  56          3HB       LEU  56  10.938   5.012   5.199
  429    HG   LEU  56           HG       LEU  56   9.927   3.926   2.596
  430   HD11  LEU  56          1HD1      LEU  56  11.865   2.828   3.237
  431   HD12  LEU  56          2HD1      LEU  56  10.594   1.793   3.886
  432   HD13  LEU  56          3HD1      LEU  56  11.459   2.900   4.953
  433   HD21  LEU  56          1HD2      LEU  56   7.900   3.987   3.717
  434   HD22  LEU  56          2HD2      LEU  56   8.647   3.736   5.294
  435   HD23  LEU  56          3HD2      LEU  56   8.532   2.399   4.150
  Start of MODEL    7
    1    H1   ALA   1           HN       ALA   1  -3.908  -4.075  -0.039
    2    HA   ALA   1           HA       ALA   1  -5.857  -2.373  -0.278
    3    HB1  ALA   1          1HB       ALA   1  -4.275  -1.871  -1.821
    4    HB2  ALA   1          2HB       ALA   1  -4.142  -3.535  -2.393
    5    HB3  ALA   1          3HB       ALA   1  -5.492  -2.527  -2.915
    6    H    THR   2           HN       THR   2  -7.686  -2.023  -1.793
    7    HA   THR   2           HA       THR   2  -9.344  -4.441  -1.906
    8    HB   THR   2           HB       THR   2 -11.003  -3.166  -1.150
    9    HG1  THR   2          1HG       THR   2 -11.980  -1.938  -2.603
   10   HG21  THR   2          1HG2      THR   2  -9.206  -0.754  -1.393
   11   HG22  THR   2          2HG2      THR   2  -9.129  -1.911  -0.065
   12   HG23  THR   2          3HG2      THR   2 -10.589  -0.955  -0.318
   13    HA   PRO   3           HA       PRO   3  -9.579  -4.576  -6.286
   14    HB2  PRO   3          2HB       PRO   3 -12.218  -4.995  -6.763
   15    HB3  PRO   3          3HB       PRO   3 -11.156  -6.233  -6.079
   16    HG2  PRO   3          2HG       PRO   3 -13.081  -4.407  -4.690
   17    HG3  PRO   3          3HG       PRO   3 -12.787  -6.135  -4.424
   18    HD2  PRO   3          2HD       PRO   3 -11.743  -4.217  -2.824
   19    HD3  PRO   3          3HD       PRO   3 -10.905  -5.749  -3.150
   20    H    GLU   4           HN       GLU   4 -11.657  -2.286  -4.658
   21    HA   GLU   4           HA       GLU   4 -12.481  -0.877  -6.998
   22    HB2  GLU   4          2HB       GLU   4 -13.392  -0.904  -4.479
   23    HB3  GLU   4          3HB       GLU   4 -12.374   0.526  -4.381
   24    HG2  GLU   4          2HG       GLU   4 -13.737   0.970  -6.698
   25    HG3  GLU   4          3HG       GLU   4 -14.939   0.126  -5.723
   26    H    GLU   5           HN       GLU   5 -10.000  -0.292  -4.523
   27    HA   GLU   5           HA       GLU   5  -9.015   2.061  -5.845
   28    HB2  GLU   5          2HB       GLU   5  -8.100   0.440  -3.485
   29    HB3  GLU   5          3HB       GLU   5  -7.095   1.721  -4.146
   30    HG2  GLU   5          2HG       GLU   5  -9.857   1.996  -2.991
   31    HG3  GLU   5          3HG       GLU   5  -8.346   2.581  -2.299
   32    H    LEU   6           HN       LEU   6  -8.395  -1.327  -6.000
   33    HA   LEU   6           HA       LEU   6  -5.766  -1.143  -7.116
   34    HB2  LEU   6          2HB       LEU   6  -7.781  -3.315  -6.758
   35    HB3  LEU   6          3HB       LEU   6  -6.417  -3.572  -7.843
   36    HG   LEU   6           HG       LEU   6  -6.064  -2.771  -4.965
   37   HD11  LEU   6          1HD1      LEU   6  -5.803  -5.058  -4.371
   38   HD12  LEU   6          2HD1      LEU   6  -5.966  -5.578  -6.048
   39   HD13  LEU   6          3HD1      LEU   6  -7.356  -4.906  -5.195
   40   HD21  LEU   6          1HD2      LEU   6  -3.971  -4.367  -5.963
   41   HD22  LEU   6          2HD2      LEU   6  -3.929  -2.652  -5.553
   42   HD23  LEU   6          3HD2      LEU   6  -4.320  -3.157  -7.198
   43    H    GLN   7           HN       GLN   7  -8.989  -1.810  -8.467
   44    HA   GLN   7           HA       GLN   7  -8.119  -1.977 -11.155
   45    HB2  GLN   7          2HB       GLN   7 -10.486  -2.448  -9.807
   46    HB3  GLN   7          3HB       GLN   7 -10.868  -1.051 -10.805
   47    HG2  GLN   7          2HG       GLN   7  -9.428  -3.021 -12.326
   48    HG3  GLN   7          3HG       GLN   7 -10.852  -3.730 -11.567
   49   HE21  GLN   7          1HE2      GLN   7 -10.612  -3.502 -14.305
   50   HE22  GLN   7          2HE2      GLN   7 -11.769  -2.357 -14.884
   51    H    ALA   8           HN       ALA   8  -8.355   0.644  -9.080
   52    HA   ALA   8           HA       ALA   8  -8.964   2.598 -11.149
   53    HB1  ALA   8          1HB       ALA   8  -8.878   4.244  -9.374
   54    HB2  ALA   8          2HB       ALA   8  -9.891   2.883  -8.888
   55    HB3  ALA   8          3HB       ALA   8  -8.253   3.036  -8.251
   56    H    MET   9           HN       MET   9  -6.388   0.852 -10.759
   57    HA   MET   9           HA       MET   9  -4.597   2.912 -11.712
   58    HB2  MET   9          2HB       MET   9  -2.842   2.473 -10.077
   59    HB3  MET   9          3HB       MET   9  -4.296   3.051  -9.275
   60    HG2  MET   9          2HG       MET   9  -4.489   1.199  -8.067
   61    HG3  MET   9          3HG       MET   9  -4.220   0.160  -9.465
   62    HE1  MET   9          1HE       MET   9  -2.259  -0.796 -10.215
   63    HE2  MET   9          2HE       MET   9  -1.109   0.526 -10.420
   64    HE3  MET   9          3HE       MET   9  -0.691  -0.858  -9.409
   65    H    ASP  10           HN       ASP  10  -5.860   0.420 -12.667
   66    HA   ASP  10           HA       ASP  10  -5.259  -1.204 -14.162
   67    HB2  ASP  10          2HB       ASP  10  -3.274   0.411 -14.572
   68    HB3  ASP  10          3HB       ASP  10  -2.352  -0.714 -13.579
   69    H    ASN  11           HN       ASN  11  -4.572  -1.123 -10.931
   70    HA   ASN  11           HA       ASN  11  -3.908  -2.664  -9.361
   71    HB2  ASN  11          2HB       ASN  11  -5.362  -4.492  -9.273
   72    HB3  ASN  11          3HB       ASN  11  -6.247  -3.334 -10.261
   73   HD21  ASN  11          1HD2      ASN  11  -4.786  -6.411 -10.117
   74   HD22  ASN  11          2HD2      ASN  11  -5.146  -6.912 -11.731
   75    H    VAL  12           HN       VAL  12  -2.000  -2.354 -11.498
   76    HA   VAL  12           HA       VAL  12  -0.848  -5.068 -11.548
   77    HB   VAL  12           HB       VAL  12  -0.861  -2.922 -13.636
   78   HG11  VAL  12          1HG1      VAL  12   0.992  -4.047 -14.791
   79   HG12  VAL  12          2HG1      VAL  12   1.499  -3.355 -13.249
   80   HG13  VAL  12          3HG1      VAL  12   1.221  -5.091 -13.388
   81   HG21  VAL  12          1HG2      VAL  12  -2.110  -5.393 -13.321
   82   HG22  VAL  12          2HG2      VAL  12  -2.052  -4.412 -14.785
   83   HG23  VAL  12          3HG2      VAL  12  -0.846  -5.670 -14.519
   84    H    CYS  13           HN       CYS  13   1.028  -5.319 -10.529
   85    HA   CYS  13           HA       CYS  13   2.262  -3.197  -9.127
   86    HB2  CYS  13          2HB       CYS  13   2.370  -5.482  -8.302
   87    HB3  CYS  13          3HB       CYS  13   3.258  -5.986  -9.735
   88    H    ILE  14           HN       ILE  14   3.433  -1.631 -10.001
   89    HA   ILE  14           HA       ILE  14   4.535  -1.723 -12.597
   90    HB   ILE  14           HB       ILE  14   3.912   0.334 -11.149
   91   HG12  ILE  14          2HG1      ILE  14   4.732   0.570 -13.402
   92   HG13  ILE  14          3HG1      ILE  14   5.585   1.727 -12.386
   93   HG21  ILE  14          1HG2      ILE  14   6.787  -0.047 -10.326
   94   HG22  ILE  14          2HG2      ILE  14   5.789   1.364  -9.980
   95   HG23  ILE  14          3HG2      ILE  14   5.381  -0.198  -9.272
   96   HD11  ILE  14          1HD1      ILE  14   6.590  -0.681 -13.783
   97   HD12  ILE  14          2HD1      ILE  14   7.333   0.905 -13.568
   98   HD13  ILE  14          3HD1      ILE  14   7.330  -0.253 -12.240
   99    H    ILE  15           HN       ILE  15   6.024  -2.004  -9.385
  100    HA   ILE  15           HA       ILE  15   8.652  -2.037  -9.799
  101    HB   ILE  15           HB       ILE  15   7.185  -4.228  -8.325
  102   HG12  ILE  15          2HG1      ILE  15   8.508  -1.913  -6.985
  103   HG13  ILE  15          3HG1      ILE  15   6.956  -1.640  -7.769
  104   HG21  ILE  15          1HG2      ILE  15   9.996  -3.789  -8.819
  105   HG22  ILE  15          2HG2      ILE  15   9.632  -3.749  -7.095
  106   HG23  ILE  15          3HG2      ILE  15   9.188  -5.158  -8.057
  107   HD11  ILE  15          1HD1      ILE  15   7.601  -3.422  -5.455
  108   HD12  ILE  15          2HD1      ILE  15   6.413  -2.123  -5.564
  109   HD13  ILE  15          3HD1      ILE  15   6.135  -3.644  -6.411
  110    H    CYS  16           HN       CYS  16   6.619  -4.884 -10.496
  111    HA   CYS  16           HA       CYS  16   8.760  -5.865 -12.266
  112    HB2  CYS  16          2HB       CYS  16   7.742  -8.113 -11.952
  113    HB3  CYS  16          3HB       CYS  16   8.333  -7.409 -10.451
  114    H    ARG  17           HN       ARG  17   5.832  -4.353 -12.313
  115    HA   ARG  17           HA       ARG  17   4.173  -4.067 -13.849
  116    HB2  ARG  17          2HB       ARG  17   6.566  -4.722 -15.546
  117    HB3  ARG  17          3HB       ARG  17   5.003  -4.388 -16.279
  118    HG2  ARG  17          2HG       ARG  17   5.207  -2.267 -14.641
  119    HG3  ARG  17          3HG       ARG  17   6.914  -2.569 -14.974
  120    HD2  ARG  17          2HD       ARG  17   4.770  -2.255 -17.072
  121    HD3  ARG  17          3HD       ARG  17   5.875  -0.980 -16.560
  122    HE   ARG  17           HE       ARG  17   6.440  -3.101 -18.371
  123   HH11  ARG  17          1HH1      ARG  17   7.858  -1.072 -15.924
  124   HH12  ARG  17          2HH1      ARG  17   9.463  -1.198 -16.565
  125   HH21  ARG  17          1HH2      ARG  17   8.548  -3.275 -19.225
  126   HH22  ARG  17          2HH2      ARG  17   9.854  -2.450 -18.443
  127    H    GLU  18           HN       GLU  18   3.455  -6.200 -12.686
  128    HA   GLU  18           HA       GLU  18   2.978  -8.220 -14.780
  129    HB2  GLU  18          2HB       GLU  18   3.453  -8.572 -11.825
  130    HB3  GLU  18          3HB       GLU  18   2.688  -9.818 -12.801
  131    HG2  GLU  18          2HG       GLU  18   5.491  -8.785 -12.930
  132    HG3  GLU  18          3HG       GLU  18   4.923 -10.442 -12.732
  133    H    GLU  19           HN       GLU  19   1.517  -8.344 -11.627
  134    HA   GLU  19           HA       GLU  19  -0.867  -6.942 -12.247
  135    HB2  GLU  19          2HB       GLU  19  -0.682  -9.621 -13.250
  136    HB3  GLU  19          3HB       GLU  19  -1.904  -9.566 -11.987
  137    HG2  GLU  19          2HG       GLU  19  -3.343  -8.489 -13.289
  138    HG3  GLU  19          3HG       GLU  19  -2.124  -7.330 -13.816
  139    H    MET  20           HN       MET  20  -2.352  -6.914 -10.511
  140    HA   MET  20           HA       MET  20  -1.435  -8.270  -8.065
  141    HB2  MET  20          2HB       MET  20  -2.039  -5.382  -8.524
  142    HB3  MET  20          3HB       MET  20  -2.431  -6.082  -6.960
  143    HG2  MET  20          2HG       MET  20  -0.144  -6.709  -6.602
  144    HG3  MET  20          3HG       MET  20   0.291  -6.203  -8.233
  145    HE1  MET  20          1HE       MET  20   0.260  -2.613  -8.396
  146    HE2  MET  20          2HE       MET  20  -0.622  -3.992  -9.053
  147    HE3  MET  20          3HE       MET  20  -1.436  -2.857  -7.974
  148    H    VAL  21           HN       VAL  21  -2.980  -9.811  -7.903
  149    HA   VAL  21           HA       VAL  21  -5.794  -9.009  -8.143
  150    HB   VAL  21           HB       VAL  21  -6.170 -11.544  -7.979
  151   HG11  VAL  21          1HG1      VAL  21  -4.619 -10.728 -10.413
  152   HG12  VAL  21          2HG1      VAL  21  -6.040 -11.768 -10.299
  153   HG13  VAL  21          3HG1      VAL  21  -6.197 -10.029 -10.051
  154   HG21  VAL  21          1HG2      VAL  21  -4.313 -12.966  -8.576
  155   HG22  VAL  21          2HG2      VAL  21  -3.237 -11.572  -8.688
  156   HG23  VAL  21          3HG2      VAL  21  -3.901 -12.051  -7.125
  157    H    THR  22           HN       THR  22  -3.397  -9.941  -5.858
  158    HA   THR  22           HA       THR  22  -4.982  -9.277  -3.633
  159    HB   THR  22           HB       THR  22  -6.105 -11.422  -4.147
  160    HG1  THR  22          1HG       THR  22  -6.297 -11.688  -2.054
  161   HG21  THR  22          1HG2      THR  22  -4.953 -13.237  -4.732
  162   HG22  THR  22          2HG2      THR  22  -4.087 -13.213  -3.196
  163   HG23  THR  22          3HG2      THR  22  -3.459 -12.315  -4.577
  164    H    GLY  23           HN       GLY  23  -3.869  -9.688  -1.566
  165    HA2  GLY  23          1HA       GLY  23  -1.991  -9.833  -0.239
  166    HA3  GLY  23          2HA       GLY  23  -1.215 -10.734  -1.533
  167    H    ALA  24           HN       ALA  24  -2.431  -7.400  -1.171
  168    HA   ALA  24           HA       ALA  24   0.263  -6.384  -1.627
  169    HB1  ALA  24          1HB       ALA  24  -0.235  -5.105  -3.520
  170    HB2  ALA  24          2HB       ALA  24  -0.965  -6.675  -3.852
  171    HB3  ALA  24          3HB       ALA  24  -1.974  -5.328  -3.326
  172    H    LYS  25           HN       LYS  25   0.449  -4.073  -1.200
  173    HA   LYS  25           HA       LYS  25  -1.577  -3.180   0.739
  174    HB2  LYS  25          2HB       LYS  25   1.176  -2.013   0.616
  175    HB3  LYS  25          3HB       LYS  25   0.087  -2.155   1.990
  176    HG2  LYS  25          2HG       LYS  25   1.515  -4.462   0.685
  177    HG3  LYS  25          3HG       LYS  25   2.052  -3.633   2.147
  178    HD2  LYS  25          2HD       LYS  25  -0.682  -4.355   2.474
  179    HD3  LYS  25          3HD       LYS  25   0.203  -5.772   1.906
  180    HE2  LYS  25          2HE       LYS  25   1.476  -5.900   3.789
  181    HE3  LYS  25          3HE       LYS  25   1.454  -4.158   4.054
  182    HZ1  LYS  25          1HZ       LYS  25  -0.372  -6.195   5.003
  183    HZ2  LYS  25          2HZ       LYS  25  -1.112  -4.778   4.450
  184    HZ3  LYS  25          3HZ       LYS  25   0.039  -4.704   5.688
  185    H    ARG  26           HN       ARG  26  -1.298  -0.613   0.997
  186    HA   ARG  26           HA       ARG  26  -1.331   0.571  -1.694
  187    HB2  ARG  26          2HB       ARG  26  -3.647   0.141  -0.885
  188    HB3  ARG  26          3HB       ARG  26  -3.322   1.181   0.495
  189    HG2  ARG  26          2HG       ARG  26  -2.711   2.932  -1.350
  190    HG3  ARG  26          3HG       ARG  26  -3.712   1.894  -2.368
  191    HD2  ARG  26          2HD       ARG  26  -5.001   3.726  -1.360
  192    HD3  ARG  26          3HD       ARG  26  -5.576   2.144  -0.838
  193    HE   ARG  26           HE       ARG  26  -3.680   3.169   0.997
  194   HH11  ARG  26          1HH1      ARG  26  -6.978   3.556  -0.048
  195   HH12  ARG  26          2HH1      ARG  26  -7.531   4.152   1.482
  196   HH21  ARG  26          1HH2      ARG  26  -4.395   3.953   3.017
  197   HH22  ARG  26          2HH2      ARG  26  -6.061   4.378   3.225
  198    H    LEU  27           HN       LEU  27  -0.024   2.264  -1.859
  199    HA   LEU  27           HA       LEU  27   1.254   3.356   0.475
  200    HB2  LEU  27          2HB       LEU  27   1.466   3.977  -2.462
  201    HB3  LEU  27          3HB       LEU  27   2.387   4.832  -1.227
  202    HG   LEU  27           HG       LEU  27   2.577   1.889  -1.865
  203   HD11  LEU  27          1HD1      LEU  27   4.257   2.359  -3.251
  204   HD12  LEU  27          2HD1      LEU  27   4.957   3.536  -2.142
  205   HD13  LEU  27          3HD1      LEU  27   3.659   4.018  -3.234
  206   HD21  LEU  27          1HD2      LEU  27   3.431   3.471   0.427
  207   HD22  LEU  27          2HD2      LEU  27   4.757   2.602  -0.347
  208   HD23  LEU  27          3HD2      LEU  27   3.340   1.721   0.226
  209    HA   PRO  28           HA       PRO  28  -1.283   6.869   1.179
  210    HB2  PRO  28          2HB       PRO  28   0.556   8.671   2.044
  211    HB3  PRO  28          3HB       PRO  28   0.027   7.294   3.019
  212    HG2  PRO  28          2HG       PRO  28   2.497   7.598   1.354
  213    HG3  PRO  28          3HG       PRO  28   2.319   6.902   2.975
  214    HD2  PRO  28          2HD       PRO  28   2.509   5.375   0.748
  215    HD3  PRO  28          3HD       PRO  28   1.556   4.884   2.163
  216    H    CYS  29           HN       CYS  29   0.770   6.671  -1.386
  217    HA   CYS  29           HA       CYS  29   0.268   9.429  -2.276
  218    HB2  CYS  29          2HB       CYS  29   1.980   8.799  -4.079
  219    HB3  CYS  29          3HB       CYS  29   2.579   9.006  -2.435
  220    H    ASN  30           HN       ASN  30  -1.102   6.477  -2.479
  221    HA   ASN  30           HA       ASN  30  -2.886   5.797  -3.766
  222    HB2  ASN  30          2HB       ASN  30  -2.770   8.399  -4.493
  223    HB3  ASN  30          3HB       ASN  30  -2.348   7.637  -6.024
  224   HD21  ASN  30          1HD2      ASN  30  -3.961   7.075  -7.287
  225   HD22  ASN  30          2HD2      ASN  30  -5.598   6.826  -6.795
  226    H    HIS  31           HN       HIS  31  -0.406   4.585  -3.821
  227    HA   HIS  31           HA       HIS  31  -0.418   3.463  -6.520
  228    HB2  HIS  31          2HB       HIS  31   2.086   4.397  -5.102
  229    HB3  HIS  31          3HB       HIS  31   2.058   3.464  -6.597
  230    HD2  HIS  31          2HD       HIS  31   0.209   5.063  -8.539
  231    HE1  HIS  31          1HE       HIS  31   2.189   8.591  -7.257
  232    HE2  HIS  31          2HE       HIS  31   0.657   7.572  -8.978
  233    H    ILE  32           HN       ILE  32  -0.922   1.402  -6.181
  234    HA   ILE  32           HA       ILE  32   0.043   0.049  -3.775
  235    HB   ILE  32           HB       ILE  32  -2.029  -0.739  -5.821
  236   HG12  ILE  32          2HG1      ILE  32  -2.783  -0.659  -3.004
  237   HG13  ILE  32          3HG1      ILE  32  -2.188   0.894  -3.580
  238   HG21  ILE  32          1HG2      ILE  32  -2.267  -2.491  -3.707
  239   HG22  ILE  32          2HG2      ILE  32  -1.571  -2.855  -5.285
  240   HG23  ILE  32          3HG2      ILE  32  -0.525  -2.377  -3.948
  241   HD11  ILE  32          1HD1      ILE  32  -3.845   0.337  -5.579
  242   HD12  ILE  32          2HD1      ILE  32  -4.636  -0.589  -4.303
  243   HD13  ILE  32          3HD1      ILE  32  -4.370   1.143  -4.101
  244    H    PHE  33           HN       PHE  33   1.330  -1.756  -3.810
  245    HA   PHE  33           HA       PHE  33   2.143  -2.909  -6.349
  246    HB2  PHE  33          2HB       PHE  33   4.211  -1.751  -4.471
  247    HB3  PHE  33          3HB       PHE  33   4.509  -2.536  -6.018
  248    HD1  PHE  33          1HD       PHE  33   3.904   0.546  -4.350
  249    HD2  PHE  33          2HD       PHE  33   3.548  -1.422  -8.108
  250    HE1  PHE  33          1HE       PHE  33   3.766   2.729  -5.477
  251    HE2  PHE  33          2HE       PHE  33   3.410   0.758  -9.240
  252    HZ   PHE  33           HZ       PHE  33   3.520   2.837  -7.925
  253    H    HIS  34           HN       HIS  34   3.254  -4.920  -6.127
  254    HA   HIS  34           HA       HIS  34   2.273  -6.706  -4.345
  255    HB2  HIS  34          2HB       HIS  34   4.950  -6.646  -5.724
  256    HB3  HIS  34          3HB       HIS  34   4.457  -8.010  -4.723
  257    HD2  HIS  34          2HD       HIS  34   1.318  -8.137  -5.867
  258    HE1  HIS  34          1HE       HIS  34   3.258  -8.836  -9.575
  259    HE2  HIS  34          2HE       HIS  34   1.077  -8.924  -8.319
  260    H    THR  35           HN       THR  35   2.542  -7.247  -2.264
  261    HA   THR  35           HA       THR  35   3.862  -5.529  -0.478
  262    HB   THR  35           HB       THR  35   3.050  -8.388   0.072
  263    HG1  THR  35          1HG       THR  35   1.026  -7.630   0.423
  264   HG21  THR  35          1HG2      THR  35   3.469  -5.989   1.857
  265   HG22  THR  35          2HG2      THR  35   4.400  -7.488   1.845
  266   HG23  THR  35          3HG2      THR  35   2.720  -7.497   2.382
  267    H    SER  36           HN       SER  36   5.032  -8.122  -2.371
  268    HA   SER  36           HA       SER  36   7.357  -8.566  -0.664
  269    HB2  SER  36          2HB       SER  36   6.160 -10.477  -1.790
  270    HB3  SER  36          3HB       SER  36   6.735  -9.848  -3.334
  271    HG   SER  36           HG       SER  36   8.579 -10.305  -1.272
  272    H    CYS  37           HN       CYS  37   6.473  -7.117  -3.732
  273    HA   CYS  37           HA       CYS  37   9.159  -6.650  -4.598
  274    HB2  CYS  37          2HB       CYS  37   6.534  -5.447  -5.498
  275    HB3  CYS  37          3HB       CYS  37   8.080  -5.175  -6.296
  276    H    LEU  38           HN       LEU  38   6.921  -5.011  -2.539
  277    HA   LEU  38           HA       LEU  38   8.175  -2.435  -2.705
  278    HB2  LEU  38          2HB       LEU  38   6.067  -3.669  -0.987
  279    HB3  LEU  38          3HB       LEU  38   6.800  -2.140  -0.505
  280    HG   LEU  38           HG       LEU  38   5.241  -2.681  -3.031
  281   HD11  LEU  38          1HD1      LEU  38   4.655  -1.226  -0.477
  282   HD12  LEU  38          2HD1      LEU  38   3.695  -2.455  -1.302
  283   HD13  LEU  38          3HD1      LEU  38   3.816  -0.830  -1.977
  284   HD21  LEU  38          1HD2      LEU  38   5.651   0.069  -2.669
  285   HD22  LEU  38          2HD2      LEU  38   6.312  -0.961  -3.938
  286   HD23  LEU  38          3HD2      LEU  38   7.228  -0.691  -2.455
  287    H    ARG  39           HN       ARG  39   8.140  -5.058  -0.306
  288    HA   ARG  39           HA       ARG  39   9.900  -3.818   1.516
  289    HB2  ARG  39          2HB       ARG  39   9.255  -6.735   1.058
  290    HB3  ARG  39          3HB       ARG  39  10.217  -6.143   2.405
  291    HG2  ARG  39          2HG       ARG  39   8.186  -4.665   2.941
  292    HG3  ARG  39          3HG       ARG  39   7.302  -5.743   1.860
  293    HD2  ARG  39          2HD       ARG  39   7.336  -7.449   3.329
  294    HD3  ARG  39          3HD       ARG  39   8.981  -7.094   3.856
  295    HE   ARG  39           HE       ARG  39   7.491  -5.078   4.920
  296   HH11  ARG  39          1HH1      ARG  39   7.340  -8.555   5.038
  297   HH12  ARG  39          2HH1      ARG  39   6.637  -8.601   6.620
  298   HH21  ARG  39          1HH2      ARG  39   6.566  -5.127   7.004
  299   HH22  ARG  39          2HH2      ARG  39   6.196  -6.651   7.738
  300    H    SER  40           HN       SER  40  10.420  -5.562  -1.429
  301    HA   SER  40           HA       SER  40  13.271  -5.881  -0.888
  302    HB2  SER  40          2HB       SER  40  11.665  -6.716  -3.316
  303    HB3  SER  40          3HB       SER  40  13.336  -7.162  -2.969
  304    HG   SER  40           HG       SER  40  11.205  -7.768  -1.209
  305    H    TRP  41           HN       TRP  41  11.100  -3.775  -2.498
  306    HA   TRP  41           HA       TRP  41  13.110  -2.684  -4.284
  307    HB2  TRP  41          2HB       TRP  41  10.958  -2.697  -5.240
  308    HB3  TRP  41          3HB       TRP  41  10.208  -2.075  -3.773
  309    HD1  TRP  41          1HD       TRP  41  10.578   0.583  -3.258
  310    HE1  TRP  41          1HE       TRP  41  10.960   2.550  -4.873
  311    HE3  TRP  41          3HE       TRP  41  12.000  -2.041  -7.409
  312    HZ2  TRP  41          2HZ       TRP  41  11.758   2.938  -7.553
  313    HZ3  TRP  41          3HZ       TRP  41  12.556  -0.796  -9.458
  314    HH2  TRP  41          2HH       TRP  41  12.436   1.641  -9.526
  315    H    PHE  42           HN       PHE  42  11.149  -1.491  -1.557
  316    HA   PHE  42           HA       PHE  42  12.484   0.995  -1.357
  317    HB2  PHE  42          2HB       PHE  42  10.768  -0.561   0.573
  318    HB3  PHE  42          3HB       PHE  42  11.439   1.017   0.969
  319    HD1  PHE  42          1HD       PHE  42  11.124   2.600  -1.373
  320    HD2  PHE  42          2HD       PHE  42   8.514  -0.372   0.198
  321    HE1  PHE  42          1HE       PHE  42   9.219   3.691  -2.485
  322    HE2  PHE  42          2HE       PHE  42   6.606   0.714  -0.910
  323    HZ   PHE  42           HZ       PHE  42   6.955   2.747  -2.255
  324    H    GLN  43           HN       GLN  43  13.538  -2.093  -0.660
  325    HA   GLN  43           HA       GLN  43  14.955  -1.881   1.710
  326    HB2  GLN  43          2HB       GLN  43  15.135  -3.543  -0.719
  327    HB3  GLN  43          3HB       GLN  43  16.623  -3.425   0.211
  328    HG2  GLN  43          2HG       GLN  43  14.395  -3.903   1.956
  329    HG3  GLN  43          3HG       GLN  43  14.447  -5.111   0.674
  330   HE21  GLN  43          1HE2      GLN  43  14.856  -5.755   3.331
  331   HE22  GLN  43          2HE2      GLN  43  16.497  -6.249   3.548
  332    H    ARG  44           HN       ARG  44  15.963  -0.972  -1.568
  333    HA   ARG  44           HA       ARG  44  18.122   0.625  -0.361
  334    HB2  ARG  44          2HB       ARG  44  18.266  -0.832  -3.006
  335    HB3  ARG  44          3HB       ARG  44  19.543   0.129  -2.272
  336    HG2  ARG  44          2HG       ARG  44  19.652  -1.468  -0.409
  337    HG3  ARG  44          3HG       ARG  44  18.409  -2.443  -1.195
  338    HD2  ARG  44          2HD       ARG  44  19.971  -2.523  -3.204
  339    HD3  ARG  44          3HD       ARG  44  21.211  -1.883  -2.127
  340    HE   ARG  44           HE       ARG  44  20.187  -4.064  -0.821
  341   HH11  ARG  44          1HH1      ARG  44  21.681  -3.481  -3.912
  342   HH12  ARG  44          2HH1      ARG  44  22.378  -5.063  -4.020
  343   HH21  ARG  44          1HH2      ARG  44  21.099  -6.150  -0.952
  344   HH22  ARG  44          2HH2      ARG  44  22.045  -6.582  -2.337
  345    H    GLN  45           HN       GLN  45  15.351   0.574  -2.250
  346    HA   GLN  45           HA       GLN  45  15.987   2.732  -4.024
  347    HB2  GLN  45          2HB       GLN  45  13.367   1.458  -3.232
  348    HB3  GLN  45          3HB       GLN  45  13.498   2.747  -4.421
  349    HG2  GLN  45          2HG       GLN  45  13.548   0.101  -4.991
  350    HG3  GLN  45          3HG       GLN  45  14.219   1.367  -6.018
  351   HE21  GLN  45          1HE2      GLN  45  16.434   1.639  -6.131
  352   HE22  GLN  45          2HE2      GLN  45  17.547   0.462  -5.533
  353    H    GLN  46           HN       GLN  46  13.356   2.660  -1.636
  354    HA   GLN  46           HA       GLN  46  12.831   4.135   0.051
  355    HB2  GLN  46          2HB       GLN  46  15.451   4.547  -0.028
  356    HB3  GLN  46          3HB       GLN  46  14.953   6.074  -0.742
  357    HG2  GLN  46          2HG       GLN  46  13.310   5.783   1.473
  358    HG3  GLN  46          3HG       GLN  46  14.889   5.213   2.012
  359   HE21  GLN  46          1HE2      GLN  46  12.960   7.866   1.676
  360   HE22  GLN  46          2HE2      GLN  46  14.164   9.103   1.736
  361    H    THR  47           HN       THR  47  12.181   4.247  -2.910
  362    HA   THR  47           HA       THR  47  10.624   6.674  -2.773
  363    HB   THR  47           HB       THR  47  11.625   6.982  -5.321
  364    HG1  THR  47          1HG       THR  47  13.860   6.611  -3.600
  365   HG21  THR  47          1HG2      THR  47  13.080   8.800  -3.950
  366   HG22  THR  47          2HG2      THR  47  11.888   8.360  -2.726
  367   HG23  THR  47          3HG2      THR  47  11.360   8.977  -4.291
  368    H    CYS  48           HN       CYS  48   8.693   6.315  -3.659
  369    HA   CYS  48           HA       CYS  48   7.651   4.012  -4.495
  370    HB2  CYS  48          2HB       CYS  48   6.725   6.554  -4.476
  371    HB3  CYS  48          3HB       CYS  48   6.805   6.269  -6.212
  372    HA   PRO  49           HA       PRO  49   9.730   2.740  -8.174
  373    HB2  PRO  49          2HB       PRO  49   7.955   0.848  -8.973
  374    HB3  PRO  49          3HB       PRO  49   9.066   0.610  -7.620
  375    HG2  PRO  49          2HG       PRO  49   6.174   1.382  -7.583
  376    HG3  PRO  49          3HG       PRO  49   7.038   0.227  -6.550
  377    HD2  PRO  49          2HD       PRO  49   6.434   2.739  -5.739
  378    HD3  PRO  49          3HD       PRO  49   7.893   1.886  -5.197
  379    H    THR  50           HN       THR  50   7.026   4.608  -8.069
  380    HA   THR  50           HA       THR  50   6.970   4.856 -10.995
  381    HB   THR  50           HB       THR  50   4.978   3.551 -10.262
  382    HG1  THR  50          1HG       THR  50   3.921   4.532 -11.819
  383   HG21  THR  50          1HG2      THR  50   3.259   4.539  -8.942
  384   HG22  THR  50          2HG2      THR  50   4.072   6.104  -8.940
  385   HG23  THR  50          3HG2      THR  50   4.766   4.748  -8.051
  386    H    CYS  51           HN       CYS  51   5.843   6.326  -7.950
  387    HA   CYS  51           HA       CYS  51   6.091   8.978  -9.162
  388    HB2  CYS  51          2HB       CYS  51   4.642   9.769  -7.540
  389    HB3  CYS  51          3HB       CYS  51   4.073   8.113  -7.728
  390    H    ARG  52           HN       ARG  52   8.019   6.870  -7.540
  391    HA   ARG  52           HA       ARG  52   9.757   7.071  -6.023
  392    HB2  ARG  52          2HB       ARG  52  10.299   9.260  -8.038
  393    HB3  ARG  52          3HB       ARG  52  11.495   8.613  -6.922
  394    HG2  ARG  52          2HG       ARG  52  11.955   7.442  -8.843
  395    HG3  ARG  52          3HG       ARG  52  10.876   6.331  -7.996
  396    HD2  ARG  52          2HD       ARG  52   8.983   7.294  -9.311
  397    HD3  ARG  52          3HD       ARG  52  10.167   8.212 -10.241
  398    HE   ARG  52           HE       ARG  52   9.495   5.477 -10.580
  399   HH11  ARG  52          1HH1      ARG  52  12.170   7.701 -10.713
  400   HH12  ARG  52          2HH1      ARG  52  13.062   6.763 -11.863
  401   HH21  ARG  52          1HH2      ARG  52  10.660   4.233 -12.096
  402   HH22  ARG  52          2HH2      ARG  52  12.203   4.790 -12.650
  403    H    MET  53           HN       MET  53   8.005   7.956  -4.461
  404    HA   MET  53           HA       MET  53   8.852  10.635  -3.570
  405    HB2  MET  53          2HB       MET  53   6.521  10.605  -4.383
  406    HB3  MET  53          3HB       MET  53   6.137   9.352  -3.210
  407    HG2  MET  53          2HG       MET  53   6.973  11.050  -1.460
  408    HG3  MET  53          3HG       MET  53   6.767  12.236  -2.748
  409    HE1  MET  53          1HE       MET  53   4.691   9.307  -0.820
  410    HE2  MET  53          2HE       MET  53   5.376  10.613   0.146
  411    HE3  MET  53          3HE       MET  53   3.629  10.488  -0.054
  412    H    ASP  54           HN       ASP  54   9.893  10.640  -1.699
  413    HA   ASP  54           HA       ASP  54  10.600   8.527  -0.165
  414    HB2  ASP  54          2HB       ASP  54  11.612  10.638   0.268
  415    HB3  ASP  54          3HB       ASP  54  10.065  11.373   0.680
  416    H    VAL  55           HN       VAL  55   9.523   7.039   0.931
  417    HA   VAL  55           HA       VAL  55   7.073   7.815   2.358
  418    HB   VAL  55           HB       VAL  55   6.120   5.556   1.756
  419   HG11  VAL  55          1HG1      VAL  55   6.310   7.954   0.134
  420   HG12  VAL  55          2HG1      VAL  55   5.959   6.519  -0.831
  421   HG13  VAL  55          3HG1      VAL  55   4.906   6.957   0.516
  422   HG21  VAL  55          1HG2      VAL  55   8.533   5.587  -0.008
  423   HG22  VAL  55          2HG2      VAL  55   7.868   4.269   0.959
  424   HG23  VAL  55          3HG2      VAL  55   7.067   4.758  -0.534
  425    H    LEU  56           HN       LEU  56   9.570   5.328   1.933
  426    HA   LEU  56           HA       LEU  56  10.348   3.720   3.380
  427    HB2  LEU  56          2HB       LEU  56  11.035   6.281   4.152
  428    HB3  LEU  56          3HB       LEU  56  10.466   5.540   5.647
  429    HG   LEU  56           HG       LEU  56  12.667   4.456   3.889
  430   HD11  LEU  56          1HD1      LEU  56  12.658   6.202   6.309
  431   HD12  LEU  56          2HD1      LEU  56  13.648   6.300   4.855
  432   HD13  LEU  56          3HD1      LEU  56  13.976   5.057   6.061
  433   HD21  LEU  56          1HD2      LEU  56  11.058   3.144   5.747
  434   HD22  LEU  56          2HD2      LEU  56  12.559   3.491   6.607
  435   HD23  LEU  56          3HD2      LEU  56  12.598   2.588   5.091
  Start of MODEL    8
    1    H1   ALA   1           HN       ALA   1  -4.787  -3.850   0.396
    2    HA   ALA   1           HA       ALA   1  -6.117  -2.181  -0.692
    3    HB1  ALA   1          1HB       ALA   1  -4.984  -4.047  -2.773
    4    HB2  ALA   1          2HB       ALA   1  -5.452  -2.368  -3.044
    5    HB3  ALA   1          3HB       ALA   1  -4.118  -2.746  -1.955
    6    H    THR   2           HN       THR   2  -8.087  -1.678  -1.456
    7    HA   THR   2           HA       THR   2 -10.084  -3.696  -1.633
    8    HB   THR   2           HB       THR   2 -11.330  -1.539  -2.695
    9    HG1  THR   2          1HG       THR   2  -9.621  -0.281  -0.864
   10   HG21  THR   2          1HG2      THR   2 -10.721  -1.847   0.247
   11   HG22  THR   2          2HG2      THR   2 -11.914  -2.805  -0.631
   12   HG23  THR   2          3HG2      THR   2 -12.127  -1.062  -0.470
   13    HA   PRO   3           HA       PRO   3 -10.119  -4.714  -5.903
   14    HB2  PRO   3          2HB       PRO   3 -12.776  -4.990  -6.386
   15    HB3  PRO   3          3HB       PRO   3 -11.847  -6.154  -5.435
   16    HG2  PRO   3          2HG       PRO   3 -13.621  -3.931  -4.501
   17    HG3  PRO   3          3HG       PRO   3 -13.494  -5.592  -3.891
   18    HD2  PRO   3          2HD       PRO   3 -12.308  -3.492  -2.659
   19    HD3  PRO   3          3HD       PRO   3 -11.609  -5.125  -2.650
   20    H    GLU   4           HN       GLU   4 -12.022  -1.982  -4.834
   21    HA   GLU   4           HA       GLU   4 -12.534  -0.999  -7.492
   22    HB2  GLU   4          2HB       GLU   4 -13.743  -0.583  -5.098
   23    HB3  GLU   4          3HB       GLU   4 -12.755   0.867  -5.214
   24    HG2  GLU   4          2HG       GLU   4 -13.751   1.198  -7.515
   25    HG3  GLU   4          3HG       GLU   4 -14.902  -0.067  -7.090
   26    H    GLU   5           HN       GLU   5 -10.374  -0.137  -4.814
   27    HA   GLU   5           HA       GLU   5  -9.167   2.063  -6.143
   28    HB2  GLU   5          2HB       GLU   5  -8.382   0.395  -3.764
   29    HB3  GLU   5          3HB       GLU   5  -7.339   1.669  -4.378
   30    HG2  GLU   5          2HG       GLU   5 -10.172   2.344  -3.821
   31    HG3  GLU   5          3HG       GLU   5  -9.090   2.095  -2.452
   32    H    LEU   6           HN       LEU   6  -8.551  -1.371  -6.087
   33    HA   LEU   6           HA       LEU   6  -5.937  -1.250  -7.217
   34    HB2  LEU   6          2HB       LEU   6  -7.928  -3.350  -6.615
   35    HB3  LEU   6          3HB       LEU   6  -6.745  -3.722  -7.867
   36    HG   LEU   6           HG       LEU   6  -5.943  -2.798  -5.119
   37   HD11  LEU   6          1HD1      LEU   6  -5.686  -5.072  -4.447
   38   HD12  LEU   6          2HD1      LEU   6  -6.154  -5.656  -6.044
   39   HD13  LEU   6          3HD1      LEU   6  -7.344  -4.862  -5.011
   40   HD21  LEU   6          1HD2      LEU   6  -4.513  -4.227  -7.355
   41   HD22  LEU   6          2HD2      LEU   6  -3.840  -3.960  -5.745
   42   HD23  LEU   6          3HD2      LEU   6  -4.223  -2.584  -6.782
   43    H    GLN   7           HN       GLN   7  -9.160  -1.914  -8.557
   44    HA   GLN   7           HA       GLN   7  -8.222  -2.190 -11.236
   45    HB2  GLN   7          2HB       GLN   7 -10.698  -2.493  -9.836
   46    HB3  GLN   7          3HB       GLN   7 -10.965  -1.463 -11.236
   47    HG2  GLN   7          2HG       GLN   7  -9.349  -3.668 -12.024
   48    HG3  GLN   7          3HG       GLN   7 -10.747  -4.273 -11.138
   49   HE21  GLN   7          1HE2      GLN   7  -9.939  -4.291 -14.034
   50   HE22  GLN   7          2HE2      GLN   7 -11.322  -3.679 -14.870
   51    H    ALA   8           HN       ALA   8  -8.386   0.458  -9.293
   52    HA   ALA   8           HA       ALA   8  -9.120   2.316 -11.438
   53    HB1  ALA   8          1HB       ALA   8  -9.973   2.416  -8.966
   54    HB2  ALA   8          2HB       ALA   8  -8.429   3.221  -8.682
   55    HB3  ALA   8          3HB       ALA   8  -9.576   3.899  -9.837
   56    H    MET   9           HN       MET   9  -6.497   0.720 -10.935
   57    HA   MET   9           HA       MET   9  -4.762   2.845 -11.834
   58    HB2  MET   9          2HB       MET   9  -3.079   2.578 -10.110
   59    HB3  MET   9          3HB       MET   9  -4.609   3.033  -9.372
   60    HG2  MET   9          2HG       MET   9  -4.710   1.164  -8.170
   61    HG3  MET   9          3HG       MET   9  -4.254   0.155  -9.541
   62    HE1  MET   9          1HE       MET   9  -0.702  -0.667  -9.112
   63    HE2  MET   9          2HE       MET   9  -2.269  -0.926  -9.879
   64    HE3  MET   9          3HE       MET   9  -1.273   0.452 -10.351
   65    H    ASP  10           HN       ASP  10  -5.852   0.267 -12.776
   66    HA   ASP  10           HA       ASP  10  -5.065  -1.308 -14.250
   67    HB2  ASP  10          2HB       ASP  10  -2.986   0.362 -14.258
   68    HB3  ASP  10          3HB       ASP  10  -2.225  -0.984 -13.415
   69    H    ASN  11           HN       ASN  11  -4.518  -1.179 -10.937
   70    HA   ASN  11           HA       ASN  11  -4.038  -2.731  -9.322
   71    HB2  ASN  11          2HB       ASN  11  -5.565  -4.482  -9.291
   72    HB3  ASN  11          3HB       ASN  11  -6.330  -3.360 -10.412
   73   HD21  ASN  11          1HD2      ASN  11  -4.902  -6.441  -9.994
   74   HD22  ASN  11          2HD2      ASN  11  -5.148  -7.023 -11.602
   75    H    VAL  12           HN       VAL  12  -2.042  -2.506 -11.446
   76    HA   VAL  12           HA       VAL  12  -0.908  -5.225 -11.300
   77    HB   VAL  12           HB       VAL  12  -0.875  -3.230 -13.531
   78   HG11  VAL  12          1HG1      VAL  12   1.358  -3.477 -13.678
   79   HG12  VAL  12          2HG1      VAL  12   1.368  -4.929 -12.677
   80   HG13  VAL  12          3HG1      VAL  12   0.946  -5.039 -14.386
   81   HG21  VAL  12          1HG2      VAL  12  -2.381  -5.356 -13.241
   82   HG22  VAL  12          2HG2      VAL  12  -1.703  -4.946 -14.816
   83   HG23  VAL  12          3HG2      VAL  12  -0.946  -6.196 -13.828
   84    H    CYS  13           HN       CYS  13   0.991  -5.423 -10.299
   85    HA   CYS  13           HA       CYS  13   2.185  -3.250  -8.952
   86    HB2  CYS  13          2HB       CYS  13   2.368  -5.502  -8.075
   87    HB3  CYS  13          3HB       CYS  13   3.228  -6.032  -9.517
   88    H    ILE  14           HN       ILE  14   3.300  -1.666  -9.866
   89    HA   ILE  14           HA       ILE  14   4.403  -1.777 -12.461
   90    HB   ILE  14           HB       ILE  14   3.717   0.289 -11.049
   91   HG12  ILE  14          2HG1      ILE  14   4.515   0.504 -13.312
   92   HG13  ILE  14          3HG1      ILE  14   5.339   1.709 -12.327
   93   HG21  ILE  14          1HG2      ILE  14   5.564   1.401  -9.910
   94   HG22  ILE  14          2HG2      ILE  14   5.218  -0.163  -9.173
   95   HG23  ILE  14          3HG2      ILE  14   6.611   0.020 -10.241
   96   HD11  ILE  14          1HD1      ILE  14   7.091   0.909 -13.530
   97   HD12  ILE  14          2HD1      ILE  14   7.155  -0.192 -12.153
   98   HD13  ILE  14          3HD1      ILE  14   6.408  -0.710 -13.664
   99    H    ILE  15           HN       ILE  15   5.909  -1.931  -9.247
  100    HA   ILE  15           HA       ILE  15   8.535  -1.898  -9.672
  101    HB   ILE  15           HB       ILE  15   7.141  -4.091  -8.131
  102   HG12  ILE  15          2HG1      ILE  15   8.392  -1.707  -6.848
  103   HG13  ILE  15          3HG1      ILE  15   6.841  -1.488  -7.652
  104   HG21  ILE  15          1HG2      ILE  15   9.544  -3.552  -6.892
  105   HG22  ILE  15          2HG2      ILE  15   9.189  -4.947  -7.910
  106   HG23  ILE  15          3HG2      ILE  15   9.950  -3.518  -8.607
  107   HD11  ILE  15          1HD1      ILE  15   6.271  -1.933  -5.452
  108   HD12  ILE  15          2HD1      ILE  15   6.069  -3.493  -6.249
  109   HD13  ILE  15          3HD1      ILE  15   7.508  -3.177  -5.279
  110    H    CYS  16           HN       CYS  16   6.562  -4.794 -10.319
  111    HA   CYS  16           HA       CYS  16   8.723  -5.758 -12.076
  112    HB2  CYS  16          2HB       CYS  16   7.912  -8.030 -11.648
  113    HB3  CYS  16          3HB       CYS  16   8.338  -7.223 -10.142
  114    H    ARG  17           HN       ARG  17   5.824  -4.282 -12.175
  115    HA   ARG  17           HA       ARG  17   4.094  -4.140 -13.661
  116    HB2  ARG  17          2HB       ARG  17   6.480  -4.770 -15.377
  117    HB3  ARG  17          3HB       ARG  17   4.894  -4.518 -16.094
  118    HG2  ARG  17          2HG       ARG  17   5.056  -2.336 -14.524
  119    HG3  ARG  17          3HG       ARG  17   6.762  -2.587 -14.903
  120    HD2  ARG  17          2HD       ARG  17   4.920  -2.829 -17.182
  121    HD3  ARG  17          3HD       ARG  17   5.021  -1.220 -16.470
  122    HE   ARG  17           HE       ARG  17   7.165  -1.026 -17.271
  123   HH11  ARG  17          1HH1      ARG  17   6.109  -4.333 -17.543
  124   HH12  ARG  17          2HH1      ARG  17   7.466  -4.824 -18.502
  125   HH21  ARG  17          1HH2      ARG  17   8.956  -1.661 -18.534
  126   HH22  ARG  17          2HH2      ARG  17   9.084  -3.304 -19.064
  127    H    GLU  18           HN       GLU  18   3.548  -6.298 -12.387
  128    HA   GLU  18           HA       GLU  18   3.133  -8.419 -14.390
  129    HB2  GLU  18          2HB       GLU  18   3.483  -8.573 -11.401
  130    HB3  GLU  18          3HB       GLU  18   2.827  -9.906 -12.340
  131    HG2  GLU  18          2HG       GLU  18   5.555  -8.673 -12.635
  132    HG3  GLU  18          3HG       GLU  18   5.177 -10.249 -11.942
  133    H    GLU  19           HN       GLU  19   1.556  -8.386 -11.292
  134    HA   GLU  19           HA       GLU  19  -0.831  -7.081 -12.038
  135    HB2  GLU  19          2HB       GLU  19  -0.568  -9.677 -13.112
  136    HB3  GLU  19          3HB       GLU  19  -1.714  -9.807 -11.785
  137    HG2  GLU  19          2HG       GLU  19  -3.297  -9.026 -13.108
  138    HG3  GLU  19          3HG       GLU  19  -2.421  -7.500 -13.225
  139    H    MET  20           HN       MET  20  -2.320  -6.969 -10.345
  140    HA   MET  20           HA       MET  20  -1.524  -8.331  -7.859
  141    HB2  MET  20          2HB       MET  20  -2.114  -5.440  -8.352
  142    HB3  MET  20          3HB       MET  20  -2.501  -6.140  -6.785
  143    HG2  MET  20          2HG       MET  20  -0.232  -6.701  -6.380
  144    HG3  MET  20          3HG       MET  20   0.223  -6.318  -8.039
  145    HE1  MET  20          1HE       MET  20  -0.785  -4.077  -8.973
  146    HE2  MET  20          2HE       MET  20  -1.749  -3.116  -7.852
  147    HE3  MET  20          3HE       MET  20  -0.133  -2.580  -8.310
  148    H    VAL  21           HN       VAL  21  -3.086  -9.798  -7.553
  149    HA   VAL  21           HA       VAL  21  -5.858  -9.141  -8.176
  150    HB   VAL  21           HB       VAL  21  -6.163 -11.593  -7.331
  151   HG11  VAL  21          1HG1      VAL  21  -5.398 -12.417  -9.609
  152   HG12  VAL  21          2HG1      VAL  21  -6.558 -11.087  -9.598
  153   HG13  VAL  21          3HG1      VAL  21  -4.852 -10.767  -9.907
  154   HG21  VAL  21          1HG2      VAL  21  -3.299 -11.838  -8.160
  155   HG22  VAL  21          2HG2      VAL  21  -3.715 -11.515  -6.478
  156   HG23  VAL  21          3HG2      VAL  21  -4.305 -12.977  -7.266
  157    H    THR  22           HN       THR  22  -3.743  -9.396  -5.470
  158    HA   THR  22           HA       THR  22  -5.446  -8.172  -3.663
  159    HB   THR  22           HB       THR  22  -6.896 -10.074  -3.686
  160    HG1  THR  22          1HG       THR  22  -5.225 -10.260  -1.381
  161   HG21  THR  22          1HG2      THR  22  -4.555 -11.531  -4.195
  162   HG22  THR  22          2HG2      THR  22  -6.199 -12.158  -4.068
  163   HG23  THR  22          3HG2      THR  22  -5.156 -12.120  -2.646
  164    H    GLY  23           HN       GLY  23  -2.790 -10.333  -4.266
  165    HA2  GLY  23          1HA       GLY  23  -1.617 -10.111  -1.658
  166    HA3  GLY  23          2HA       GLY  23  -0.845 -10.759  -3.097
  167    H    ALA  24           HN       ALA  24  -2.152  -7.555  -2.244
  168    HA   ALA  24           HA       ALA  24   0.501  -6.394  -2.369
  169    HB1  ALA  24          1HB       ALA  24   0.335  -5.900  -4.546
  170    HB2  ALA  24          2HB       ALA  24  -1.404  -6.196  -4.578
  171    HB3  ALA  24          3HB       ALA  24  -0.784  -4.642  -4.021
  172    H    LYS  25           HN       LYS  25   0.569  -4.200  -1.612
  173    HA   LYS  25           HA       LYS  25  -1.756  -3.523   0.061
  174    HB2  LYS  25          2HB       LYS  25   1.022  -2.454   0.489
  175    HB3  LYS  25          3HB       LYS  25  -0.302  -2.568   1.643
  176    HG2  LYS  25          2HG       LYS  25   1.274  -4.874   0.518
  177    HG3  LYS  25          3HG       LYS  25   1.426  -4.194   2.140
  178    HD2  LYS  25          2HD       LYS  25  -1.309  -4.787   1.730
  179    HD3  LYS  25          3HD       LYS  25  -0.384  -6.190   1.191
  180    HE2  LYS  25          2HE       LYS  25   0.539  -6.546   3.284
  181    HE3  LYS  25          3HE       LYS  25   0.271  -4.882   3.798
  182    HZ1  LYS  25          1HZ       LYS  25  -2.004  -5.287   4.119
  183    HZ2  LYS  25          2HZ       LYS  25  -1.226  -6.623   4.803
  184    HZ3  LYS  25          3HZ       LYS  25  -1.961  -6.758   3.286
  185    H    ARG  26           HN       ARG  26  -1.524  -0.999   0.664
  186    HA   ARG  26           HA       ARG  26  -1.338   0.431  -1.906
  187    HB2  ARG  26          2HB       ARG  26  -3.662   0.200  -1.178
  188    HB3  ARG  26          3HB       ARG  26  -3.259   0.918   0.376
  189    HG2  ARG  26          2HG       ARG  26  -2.795   3.031  -0.648
  190    HG3  ARG  26          3HG       ARG  26  -2.971   2.337  -2.261
  191    HD2  ARG  26          2HD       ARG  26  -4.976   3.544  -1.708
  192    HD3  ARG  26          3HD       ARG  26  -5.334   1.817  -1.729
  193    HE   ARG  26           HE       ARG  26  -4.671   2.867   0.874
  194   HH11  ARG  26          1HH1      ARG  26  -7.206   2.237  -1.428
  195   HH12  ARG  26          2HH1      ARG  26  -8.460   2.201  -0.232
  196   HH21  ARG  26          1HH2      ARG  26  -6.314   2.823   2.455
  197   HH22  ARG  26          2HH2      ARG  26  -7.952   2.536   1.976
  198    H    LEU  27           HN       LEU  27  -0.387   2.442  -1.931
  199    HA   LEU  27           HA       LEU  27   1.198   3.098   0.440
  200    HB2  LEU  27          2HB       LEU  27   1.409   3.911  -2.448
  201    HB3  LEU  27          3HB       LEU  27   2.385   4.640  -1.175
  202    HG   LEU  27           HG       LEU  27   2.426   1.740  -2.010
  203   HD11  LEU  27          1HD1      LEU  27   4.668   3.715  -2.238
  204   HD12  LEU  27          2HD1      LEU  27   3.468   3.535  -3.518
  205   HD13  LEU  27          3HD1      LEU  27   4.468   2.160  -3.047
  206   HD21  LEU  27          1HD2      LEU  27   3.458   3.161   0.345
  207   HD22  LEU  27          2HD2      LEU  27   4.630   2.133  -0.482
  208   HD23  LEU  27          3HD2      LEU  27   3.115   1.446   0.109
  209    HA   PRO  28           HA       PRO  28  -1.117   6.689   1.451
  210    HB2  PRO  28          2HB       PRO  28   0.837   8.308   2.417
  211    HB3  PRO  28          3HB       PRO  28   0.239   6.894   3.295
  212    HG2  PRO  28          2HG       PRO  28   2.700   7.181   1.614
  213    HG3  PRO  28          3HG       PRO  28   2.503   6.376   3.181
  214    HD2  PRO  28          2HD       PRO  28   2.574   5.013   0.842
  215    HD3  PRO  28          3HD       PRO  28   1.613   4.472   2.233
  216    H    CYS  29           HN       CYS  29   0.891   6.569  -1.156
  217    HA   CYS  29           HA       CYS  29   0.485   9.403  -1.840
  218    HB2  CYS  29          2HB       CYS  29   2.223   8.875  -3.653
  219    HB3  CYS  29          3HB       CYS  29   2.793   8.959  -1.989
  220    H    ASN  30           HN       ASN  30  -0.992   6.556  -2.239
  221    HA   ASN  30           HA       ASN  30  -2.762   6.020  -3.609
  222    HB2  ASN  30          2HB       ASN  30  -2.578   8.615  -4.190
  223    HB3  ASN  30          3HB       ASN  30  -1.996   7.974  -5.724
  224   HD21  ASN  30          1HD2      ASN  30  -3.910   8.988  -6.595
  225   HD22  ASN  30          2HD2      ASN  30  -5.419   8.150  -6.531
  226    H    HIS  31           HN       HIS  31  -0.615   4.481  -3.626
  227    HA   HIS  31           HA       HIS  31  -0.518   3.525  -6.360
  228    HB2  HIS  31          2HB       HIS  31   2.012   4.261  -4.872
  229    HB3  HIS  31          3HB       HIS  31   1.950   3.390  -6.402
  230    HD2  HIS  31          2HD       HIS  31   0.297   5.151  -8.343
  231    HE1  HIS  31          1HE       HIS  31   2.357   8.536  -6.828
  232    HE2  HIS  31          2HE       HIS  31   0.868   7.654  -8.658
  233    H    ILE  32           HN       ILE  32  -0.976   1.440  -6.208
  234    HA   ILE  32           HA       ILE  32  -0.261  -0.013  -3.767
  235    HB   ILE  32           HB       ILE  32  -2.240  -0.567  -5.962
  236   HG12  ILE  32          2HG1      ILE  32  -3.026  -0.868  -3.159
  237   HG13  ILE  32          3HG1      ILE  32  -2.443   0.748  -3.543
  238   HG21  ILE  32          1HG2      ILE  32  -2.547  -2.600  -4.120
  239   HG22  ILE  32          2HG2      ILE  32  -1.846  -2.748  -5.730
  240   HG23  ILE  32          3HG2      ILE  32  -0.801  -2.490  -4.333
  241   HD11  ILE  32          1HD1      ILE  32  -4.944   0.269  -3.769
  242   HD12  ILE  32          2HD1      ILE  32  -4.139   1.120  -5.087
  243   HD13  ILE  32          3HD1      ILE  32  -4.506  -0.597  -5.241
  244    H    PHE  33           HN       PHE  33   1.121  -1.702  -3.739
  245    HA   PHE  33           HA       PHE  33   2.033  -2.887  -6.237
  246    HB2  PHE  33          2HB       PHE  33   3.998  -1.689  -4.274
  247    HB3  PHE  33          3HB       PHE  33   4.383  -2.500  -5.789
  248    HD1  PHE  33          1HD       PHE  33   3.895   0.605  -4.236
  249    HD2  PHE  33          2HD       PHE  33   3.297  -1.432  -7.925
  250    HE1  PHE  33          1HE       PHE  33   3.798   2.766  -5.410
  251    HE2  PHE  33          2HE       PHE  33   3.200   0.725  -9.104
  252    HZ   PHE  33           HZ       PHE  33   3.451   2.828  -7.847
  253    H    HIS  34           HN       HIS  34   3.457  -4.783  -5.847
  254    HA   HIS  34           HA       HIS  34   2.310  -6.581  -4.066
  255    HB2  HIS  34          2HB       HIS  34   4.976  -6.590  -5.473
  256    HB3  HIS  34          3HB       HIS  34   4.440  -7.936  -4.472
  257    HD2  HIS  34          2HD       HIS  34   1.278  -7.867  -5.653
  258    HE1  HIS  34          1HE       HIS  34   3.237  -8.806  -9.298
  259    HE2  HIS  34          2HE       HIS  34   1.029  -8.703  -8.088
  260    H    THR  35           HN       THR  35   2.798  -7.303  -2.037
  261    HA   THR  35           HA       THR  35   4.049  -5.502  -0.254
  262    HB   THR  35           HB       THR  35   3.784  -8.305   0.644
  263    HG1  THR  35          1HG       THR  35   1.472  -6.784  -0.044
  264   HG21  THR  35          1HG2      THR  35   2.217  -6.184   1.920
  265   HG22  THR  35          2HG2      THR  35   3.948  -5.850   1.846
  266   HG23  THR  35          3HG2      THR  35   3.367  -7.322   2.621
  267    H    SER  36           HN       SER  36   5.217  -8.208  -2.081
  268    HA   SER  36           HA       SER  36   7.642  -8.477  -0.516
  269    HB2  SER  36          2HB       SER  36   6.327 -10.330  -1.851
  270    HB3  SER  36          3HB       SER  36   7.292  -9.746  -3.207
  271    HG   SER  36           HG       SER  36   9.145 -10.064  -1.746
  272    H    CYS  37           HN       CYS  37   6.599  -7.032  -3.535
  273    HA   CYS  37           HA       CYS  37   9.222  -6.447  -4.498
  274    HB2  CYS  37          2HB       CYS  37   6.513  -5.332  -5.243
  275    HB3  CYS  37          3HB       CYS  37   8.005  -4.937  -6.088
  276    H    LEU  38           HN       LEU  38   6.832  -4.725  -2.580
  277    HA   LEU  38           HA       LEU  38   8.104  -2.195  -2.646
  278    HB2  LEU  38          2HB       LEU  38   6.077  -3.467  -0.845
  279    HB3  LEU  38          3HB       LEU  38   6.742  -1.878  -0.476
  280    HG   LEU  38           HG       LEU  38   5.227  -2.599  -2.984
  281   HD11  LEU  38          1HD1      LEU  38   3.562  -0.968  -1.937
  282   HD12  LEU  38          2HD1      LEU  38   4.416  -1.263  -0.424
  283   HD13  LEU  38          3HD1      LEU  38   3.638  -2.599  -1.272
  284   HD21  LEU  38          1HD2      LEU  38   5.979  -0.698  -3.843
  285   HD22  LEU  38          2HD2      LEU  38   7.005  -0.469  -2.426
  286   HD23  LEU  38          3HD2      LEU  38   5.370   0.193  -2.448
  287    H    ARG  39           HN       ARG  39   7.977  -4.648  -0.057
  288    HA   ARG  39           HA       ARG  39   9.819  -3.420   1.645
  289    HB2  ARG  39          2HB       ARG  39   9.110  -6.337   1.306
  290    HB3  ARG  39          3HB       ARG  39  10.113  -5.721   2.612
  291    HG2  ARG  39          2HG       ARG  39   8.093  -4.151   3.070
  292    HG3  ARG  39          3HG       ARG  39   7.194  -5.346   2.132
  293    HD2  ARG  39          2HD       ARG  39   7.362  -6.931   3.740
  294    HD3  ARG  39          3HD       ARG  39   8.973  -6.410   4.232
  295    HE   ARG  39           HE       ARG  39   7.000  -4.500   4.963
  296   HH11  ARG  39          1HH1      ARG  39   8.340  -7.586   5.856
  297   HH12  ARG  39          2HH1      ARG  39   7.923  -7.430   7.530
  298   HH21  ARG  39          1HH2      ARG  39   6.445  -4.281   7.164
  299   HH22  ARG  39          2HH2      ARG  39   6.844  -5.550   8.273
  300    H    SER  40           HN       SER  40  10.283  -5.332  -1.215
  301    HA   SER  40           HA       SER  40  13.123  -5.703  -0.692
  302    HB2  SER  40          2HB       SER  40  11.351  -6.558  -2.989
  303    HB3  SER  40          3HB       SER  40  13.085  -6.874  -2.919
  304    HG   SER  40           HG       SER  40  11.684  -7.611  -0.664
  305    H    TRP  41           HN       TRP  41  11.008  -3.602  -2.438
  306    HA   TRP  41           HA       TRP  41  13.015  -2.592  -4.232
  307    HB2  TRP  41          2HB       TRP  41  10.686  -2.535  -4.912
  308    HB3  TRP  41          3HB       TRP  41  10.266  -1.556  -3.510
  309    HD1  TRP  41          1HD       TRP  41  11.096   1.031  -3.538
  310    HE1  TRP  41          1HE       TRP  41  11.609   2.606  -5.508
  311    HE3  TRP  41          3HE       TRP  41  11.603  -2.450  -7.246
  312    HZ2  TRP  41          2HZ       TRP  41  12.158   2.398  -8.269
  313    HZ3  TRP  41          3HZ       TRP  41  12.123  -1.680  -9.525
  314    HH2  TRP  41          2HH       TRP  41  12.393   0.695 -10.023
  315    H    PHE  42           HN       PHE  42  11.519  -1.518  -1.212
  316    HA   PHE  42           HA       PHE  42  12.885   0.977  -1.118
  317    HB2  PHE  42          2HB       PHE  42  11.627  -0.596   1.141
  318    HB3  PHE  42          3HB       PHE  42  12.074   1.106   1.190
  319    HD1  PHE  42          1HD       PHE  42  11.102   2.158  -1.313
  320    HD2  PHE  42          2HD       PHE  42   9.334  -0.723   1.273
  321    HE1  PHE  42          1HE       PHE  42   8.875   2.769  -2.161
  322    HE2  PHE  42          2HE       PHE  42   7.104  -0.118   0.429
  323    HZ   PHE  42           HZ       PHE  42   6.872   1.629  -1.291
  324    H    GLN  43           HN       GLN  43  13.819  -2.231  -0.460
  325    HA   GLN  43           HA       GLN  43  15.756  -1.780   1.552
  326    HB2  GLN  43          2HB       GLN  43  15.286  -3.968  -0.446
  327    HB3  GLN  43          3HB       GLN  43  16.735  -3.971   0.552
  328    HG2  GLN  43          2HG       GLN  43  14.338  -3.525   2.114
  329    HG3  GLN  43          3HG       GLN  43  14.276  -5.036   1.209
  330   HE21  GLN  43          1HE2      GLN  43  16.743  -5.980   1.231
  331   HE22  GLN  43          2HE2      GLN  43  17.312  -6.246   2.839
  332    H    ARG  44           HN       ARG  44  15.663  -0.809  -1.649
  333    HA   ARG  44           HA       ARG  44  18.552  -0.285  -1.615
  334    HB2  ARG  44          2HB       ARG  44  16.965  -1.290  -3.985
  335    HB3  ARG  44          3HB       ARG  44  18.627  -0.718  -4.062
  336    HG2  ARG  44          2HG       ARG  44  19.463  -2.571  -3.005
  337    HG3  ARG  44          3HG       ARG  44  17.946  -2.910  -2.168
  338    HD2  ARG  44          2HD       ARG  44  17.108  -4.102  -3.893
  339    HD3  ARG  44          3HD       ARG  44  17.841  -3.054  -5.107
  340    HE   ARG  44           HE       ARG  44  18.841  -5.523  -4.253
  341   HH11  ARG  44          1HH1      ARG  44  19.951  -2.284  -4.879
  342   HH12  ARG  44          2HH1      ARG  44  21.555  -2.776  -5.307
  343   HH21  ARG  44          1HH2      ARG  44  20.951  -6.185  -4.815
  344   HH22  ARG  44          2HH2      ARG  44  22.123  -4.996  -5.271
  345    H    GLN  45           HN       GLN  45  15.346   0.595  -2.732
  346    HA   GLN  45           HA       GLN  45  16.315   3.340  -3.145
  347    HB2  GLN  45          2HB       GLN  45  14.072   2.915  -4.830
  348    HB3  GLN  45          3HB       GLN  45  15.724   3.299  -5.293
  349    HG2  GLN  45          2HG       GLN  45  14.958   0.482  -4.669
  350    HG3  GLN  45          3HG       GLN  45  14.581   1.181  -6.242
  351   HE21  GLN  45          1HE2      GLN  45  17.374   2.290  -4.574
  352   HE22  GLN  45          2HE2      GLN  45  18.548   1.477  -5.546
  353    H    GLN  46           HN       GLN  46  15.492   4.363  -1.421
  354    HA   GLN  46           HA       GLN  46  12.946   3.682  -0.290
  355    HB2  GLN  46          2HB       GLN  46  15.133   4.768   0.783
  356    HB3  GLN  46          3HB       GLN  46  14.283   6.255   0.383
  357    HG2  GLN  46          2HG       GLN  46  12.444   5.679   1.762
  358    HG3  GLN  46          3HG       GLN  46  13.039   4.034   1.977
  359   HE21  GLN  46          1HE2      GLN  46  15.225   3.881   3.012
  360   HE22  GLN  46          2HE2      GLN  46  15.552   4.957   4.323
  361    H    THR  47           HN       THR  47  12.449   4.226  -2.887
  362    HA   THR  47           HA       THR  47  10.770   6.603  -2.687
  363    HB   THR  47           HB       THR  47  11.624   6.816  -5.292
  364    HG1  THR  47          1HG       THR  47  14.037   6.717  -3.871
  365   HG21  THR  47          1HG2      THR  47  12.430   8.258  -2.779
  366   HG22  THR  47          2HG2      THR  47  11.263   8.752  -4.006
  367   HG23  THR  47          3HG2      THR  47  12.989   8.776  -4.368
  368    H    CYS  48           HN       CYS  48   8.898   6.497  -3.886
  369    HA   CYS  48           HA       CYS  48   7.793   4.034  -4.464
  370    HB2  CYS  48          2HB       CYS  48   6.880   6.620  -4.440
  371    HB3  CYS  48          3HB       CYS  48   6.766   6.213  -6.149
  372    HA   PRO  49           HA       PRO  49   9.677   2.814  -8.265
  373    HB2  PRO  49          2HB       PRO  49   7.882   0.905  -8.977
  374    HB3  PRO  49          3HB       PRO  49   9.073   0.673  -7.690
  375    HG2  PRO  49          2HG       PRO  49   6.177   1.406  -7.484
  376    HG3  PRO  49          3HG       PRO  49   7.113   0.256  -6.510
  377    HD2  PRO  49          2HD       PRO  49   6.523   2.755  -5.648
  378    HD3  PRO  49          3HD       PRO  49   8.022   1.916  -5.195
  379    H    THR  50           HN       THR  50   6.953   4.642  -7.993
  380    HA   THR  50           HA       THR  50   6.687   4.857 -10.915
  381    HB   THR  50           HB       THR  50   4.727   3.643 -10.008
  382    HG1  THR  50          1HG       THR  50   4.159   4.756 -11.782
  383   HG21  THR  50          1HG2      THR  50   4.056   6.214  -8.579
  384   HG22  THR  50          2HG2      THR  50   4.768   4.811  -7.779
  385   HG23  THR  50          3HG2      THR  50   3.174   4.688  -8.525
  386    H    CYS  51           HN       CYS  51   5.876   6.442  -7.827
  387    HA   CYS  51           HA       CYS  51   6.198   9.048  -9.137
  388    HB2  CYS  51          2HB       CYS  51   4.909   9.993  -7.393
  389    HB3  CYS  51          3HB       CYS  51   4.105   8.480  -7.797
  390    H    ARG  52           HN       ARG  52   7.995   6.883  -7.428
  391    HA   ARG  52           HA       ARG  52   9.737   7.041  -5.910
  392    HB2  ARG  52          2HB       ARG  52  10.778   9.291  -7.556
  393    HB3  ARG  52          3HB       ARG  52  11.587   7.826  -7.017
  394    HG2  ARG  52          2HG       ARG  52   9.836   6.721  -8.687
  395    HG3  ARG  52          3HG       ARG  52   9.954   8.316  -9.433
  396    HD2  ARG  52          2HD       ARG  52  12.581   7.538  -8.817
  397    HD3  ARG  52          3HD       ARG  52  11.803   6.121  -9.521
  398    HE   ARG  52           HE       ARG  52  11.143   8.207 -11.177
  399   HH11  ARG  52          1HH1      ARG  52  14.095   6.758 -10.033
  400   HH12  ARG  52          2HH1      ARG  52  14.994   7.152 -11.460
  401   HH21  ARG  52          1HH2      ARG  52  12.317   8.730 -13.061
  402   HH22  ARG  52          2HH2      ARG  52  13.982   8.274 -13.182
  403    H    MET  53           HN       MET  53   7.837   8.253  -4.583
  404    HA   MET  53           HA       MET  53   8.991  10.815  -3.692
  405    HB2  MET  53          2HB       MET  53   6.665  10.860  -4.736
  406    HB3  MET  53          3HB       MET  53   6.118   9.981  -3.314
  407    HG2  MET  53          2HG       MET  53   6.828  11.803  -1.884
  408    HG3  MET  53          3HG       MET  53   7.458  12.675  -3.279
  409    HE1  MET  53          1HE       MET  53   3.174  11.799  -2.128
  410    HE2  MET  53          2HE       MET  53   3.617  10.909  -3.585
  411    HE3  MET  53          3HE       MET  53   4.552  10.696  -2.104
  412    H    ASP  54           HN       ASP  54   9.396   7.897  -2.872
  413    HA   ASP  54           HA       ASP  54   9.777   6.720  -0.961
  414    HB2  ASP  54          2HB       ASP  54  10.927   9.002  -0.492
  415    HB3  ASP  54          3HB       ASP  54   9.572   9.279   0.600
  416    H    VAL  55           HN       VAL  55   8.841   6.042   1.129
  417    HA   VAL  55           HA       VAL  55   6.210   7.017   1.807
  418    HB   VAL  55           HB       VAL  55   5.233   4.657   1.591
  419   HG11  VAL  55          1HG1      VAL  55   4.450   5.083  -0.642
  420   HG12  VAL  55          2HG1      VAL  55   4.597   6.621   0.211
  421   HG13  VAL  55          3HG1      VAL  55   5.821   6.143  -0.966
  422   HG21  VAL  55          1HG2      VAL  55   6.230   3.407  -0.377
  423   HG22  VAL  55          2HG2      VAL  55   7.657   4.423  -0.176
  424   HG23  VAL  55          3HG2      VAL  55   7.148   3.352   1.128
  425    H    LEU  56           HN       LEU  56   8.511   4.334   2.191
  426    HA   LEU  56           HA       LEU  56   7.812   3.218   4.536
  427    HB2  LEU  56          2HB       LEU  56  10.135   3.342   3.025
  428    HB3  LEU  56          3HB       LEU  56  10.632   3.890   4.624
  429    HG   LEU  56           HG       LEU  56   9.022   1.433   4.617
  430   HD11  LEU  56          1HD1      LEU  56  11.092   0.099   3.978
  431   HD12  LEU  56          2HD1      LEU  56  11.680   1.582   3.228
  432   HD13  LEU  56          3HD1      LEU  56  10.181   0.844   2.664
  433   HD21  LEU  56          1HD2      LEU  56  10.483   2.703   6.448
  434   HD22  LEU  56          2HD2      LEU  56  11.731   1.639   5.798
  435   HD23  LEU  56          3HD2      LEU  56  10.248   0.956   6.466
  Start of MODEL    9
    1    H1   ALA   1           HN       ALA   1  -4.254  -3.948   0.218
    2    HA   ALA   1           HA       ALA   1  -5.934  -2.190  -0.399
    3    HB1  ALA   1          1HB       ALA   1  -4.251  -2.188  -1.961
    4    HB2  ALA   1          2HB       ALA   1  -4.536  -3.865  -2.431
    5    HB3  ALA   1          3HB       ALA   1  -5.640  -2.598  -2.968
    6    H    THR   2           HN       THR   2  -7.772  -1.769  -1.832
    7    HA   THR   2           HA       THR   2  -9.734  -3.929  -1.629
    8    HB   THR   2           HB       THR   2 -11.231  -1.880  -2.473
    9    HG1  THR   2          1HG       THR   2 -10.113  -0.096  -1.037
   10   HG21  THR   2          1HG2      THR   2 -12.069  -1.886  -0.371
   11   HG22  THR   2          2HG2      THR   2 -10.492  -1.604   0.368
   12   HG23  THR   2          3HG2      THR   2 -10.948  -3.228  -0.147
   13    HA   PRO   3           HA       PRO   3  -9.959  -4.753  -5.934
   14    HB2  PRO   3          2HB       PRO   3 -12.619  -5.155  -6.294
   15    HB3  PRO   3          3HB       PRO   3 -11.580  -6.307  -5.446
   16    HG2  PRO   3          2HG       PRO   3 -13.418  -4.228  -4.321
   17    HG3  PRO   3          3HG       PRO   3 -13.170  -5.905  -3.797
   18    HD2  PRO   3          2HD       PRO   3 -12.033  -3.799  -2.530
   19    HD3  PRO   3          3HD       PRO   3 -11.250  -5.388  -2.632
   20    H    GLU   4           HN       GLU   4 -12.077  -2.245  -4.674
   21    HA   GLU   4           HA       GLU   4 -12.758  -1.161  -7.233
   22    HB2  GLU   4          2HB       GLU   4 -13.964  -0.923  -4.916
   23    HB3  GLU   4          3HB       GLU   4 -12.878   0.443  -4.707
   24    HG2  GLU   4          2HG       GLU   4 -14.689   1.488  -5.609
   25    HG3  GLU   4          3HG       GLU   4 -13.772   1.124  -7.070
   26    H    GLU   5           HN       GLU   5 -10.452  -0.282  -4.685
   27    HA   GLU   5           HA       GLU   5  -9.441   1.993  -6.087
   28    HB2  GLU   5          2HB       GLU   5  -8.333   0.424  -3.755
   29    HB3  GLU   5          3HB       GLU   5  -7.626   1.913  -4.366
   30    HG2  GLU   5          2HG       GLU   5 -10.455   2.197  -3.818
   31    HG3  GLU   5          3HG       GLU   5  -9.547   1.684  -2.398
   32    H    LEU   6           HN       LEU   6  -8.598  -1.396  -5.911
   33    HA   LEU   6           HA       LEU   6  -6.034  -1.187  -7.104
   34    HB2  LEU   6          2HB       LEU   6  -7.971  -3.396  -6.605
   35    HB3  LEU   6          3HB       LEU   6  -6.619  -3.678  -7.698
   36    HG   LEU   6           HG       LEU   6  -6.279  -2.733  -4.858
   37   HD11  LEU   6          1HD1      LEU   6  -7.373  -4.884  -4.793
   38   HD12  LEU   6          2HD1      LEU   6  -5.679  -5.065  -4.340
   39   HD13  LEU   6          3HD1      LEU   6  -6.216  -5.541  -5.951
   40   HD21  LEU   6          1HD2      LEU   6  -4.018  -3.109  -5.146
   41   HD22  LEU   6          2HD2      LEU   6  -4.485  -2.451  -6.715
   42   HD23  LEU   6          3HD2      LEU   6  -4.264  -4.191  -6.517
   43    H    GLN   7           HN       GLN   7  -9.174  -2.217  -8.445
   44    HA   GLN   7           HA       GLN   7  -8.249  -2.370 -11.116
   45    HB2  GLN   7          2HB       GLN   7 -10.622  -2.973  -9.731
   46    HB3  GLN   7          3HB       GLN   7 -11.073  -1.809 -10.969
   47    HG2  GLN   7          2HG       GLN   7  -9.398  -3.619 -12.259
   48    HG3  GLN   7          3HG       GLN   7 -10.427  -4.601 -11.219
   49   HE21  GLN   7          1HE2      GLN   7 -12.681  -2.858 -11.289
   50   HE22  GLN   7          2HE2      GLN   7 -13.375  -2.975 -12.866
   51    H    ALA   8           HN       ALA   8  -8.665   0.273  -9.175
   52    HA   ALA   8           HA       ALA   8  -9.547   2.060 -11.313
   53    HB1  ALA   8          1HB       ALA   8 -10.516   2.289  -9.045
   54    HB2  ALA   8          2HB       ALA   8  -8.917   2.726  -8.441
   55    HB3  ALA   8          3HB       ALA   8  -9.729   3.759  -9.619
   56    H    MET   9           HN       MET   9  -6.774   0.654 -10.757
   57    HA   MET   9           HA       MET   9  -5.229   2.870 -11.799
   58    HB2  MET   9          2HB       MET   9  -3.479   2.747 -10.120
   59    HB3  MET   9          3HB       MET   9  -5.013   3.135  -9.354
   60    HG2  MET   9          2HG       MET   9  -4.949   1.319  -8.081
   61    HG3  MET   9          3HG       MET   9  -4.531   0.282  -9.443
   62    HE1  MET   9          1HE       MET   9  -2.535  -0.618  -9.986
   63    HE2  MET   9          2HE       MET   9  -1.512   0.761 -10.391
   64    HE3  MET   9          3HE       MET   9  -0.966  -0.424  -9.204
   65    H    ASP  10           HN       ASP  10  -6.161   0.198 -12.649
   66    HA   ASP  10           HA       ASP  10  -5.306  -1.349 -14.117
   67    HB2  ASP  10          2HB       ASP  10  -3.282   0.475 -14.080
   68    HB3  ASP  10          3HB       ASP  10  -2.464  -0.947 -13.440
   69    H    ASN  11           HN       ASN  11  -4.607  -1.091 -10.822
   70    HA   ASN  11           HA       ASN  11  -3.929  -2.572  -9.206
   71    HB2  ASN  11          2HB       ASN  11  -5.348  -4.441  -9.042
   72    HB3  ASN  11          3HB       ASN  11  -6.280  -3.273  -9.974
   73   HD21  ASN  11          1HD2      ASN  11  -4.751  -6.338  -9.955
   74   HD22  ASN  11          2HD2      ASN  11  -5.225  -6.833 -11.542
   75    H    VAL  12           HN       VAL  12  -2.032  -2.331 -11.327
   76    HA   VAL  12           HA       VAL  12  -0.900  -5.054 -11.342
   77    HB   VAL  12           HB       VAL  12  -0.882  -2.934 -13.459
   78   HG11  VAL  12          1HG1      VAL  12   1.301  -4.825 -12.804
   79   HG12  VAL  12          2HG1      VAL  12   0.875  -4.640 -14.506
   80   HG13  VAL  12          3HG1      VAL  12   1.367  -3.234 -13.561
   81   HG21  VAL  12          1HG2      VAL  12  -2.404  -5.093 -13.221
   82   HG22  VAL  12          2HG2      VAL  12  -1.843  -4.517 -14.790
   83   HG23  VAL  12          3HG2      VAL  12  -1.011  -5.852 -13.992
   84    H    CYS  13           HN       CYS  13   0.995  -5.306 -10.355
   85    HA   CYS  13           HA       CYS  13   2.241  -3.171  -8.975
   86    HB2  CYS  13          2HB       CYS  13   2.350  -5.428  -8.101
   87    HB3  CYS  13          3HB       CYS  13   3.193  -5.985  -9.543
   88    H    ILE  14           HN       ILE  14   3.442  -1.634  -9.857
   89    HA   ILE  14           HA       ILE  14   4.524  -1.765 -12.463
   90    HB   ILE  14           HB       ILE  14   3.927   0.315 -11.033
   91   HG12  ILE  14          2HG1      ILE  14   4.727   0.517 -13.295
   92   HG13  ILE  14          3HG1      ILE  14   5.598   1.679 -12.303
   93   HG21  ILE  14          1HG2      ILE  14   5.414  -0.213  -9.165
   94   HG22  ILE  14          2HG2      ILE  14   6.807  -0.077 -10.235
   95   HG23  ILE  14          3HG2      ILE  14   5.821   1.343  -9.891
   96   HD11  ILE  14          1HD1      ILE  14   6.571  -0.749 -13.683
   97   HD12  ILE  14          2HD1      ILE  14   7.331   0.830 -13.486
   98   HD13  ILE  14          3HD1      ILE  14   7.327  -0.319 -12.149
   99    H    ILE  15           HN       ILE  15   6.030  -2.007  -9.254
  100    HA   ILE  15           HA       ILE  15   8.656  -2.075  -9.689
  101    HB   ILE  15           HB       ILE  15   7.179  -4.218  -8.155
  102   HG12  ILE  15          2HG1      ILE  15   8.532  -1.888  -6.872
  103   HG13  ILE  15          3HG1      ILE  15   6.981  -1.613  -7.659
  104   HG21  ILE  15          1HG2      ILE  15  10.036  -3.652  -8.550
  105   HG22  ILE  15          2HG2      ILE  15   9.541  -3.904  -6.876
  106   HG23  ILE  15          3HG2      ILE  15   9.227  -5.148  -8.085
  107   HD11  ILE  15          1HD1      ILE  15   6.104  -3.536  -6.257
  108   HD12  ILE  15          2HD1      ILE  15   7.599  -3.395  -5.332
  109   HD13  ILE  15          3HD1      ILE  15   6.482  -2.034  -5.413
  110    H    CYS  16           HN       CYS  16   6.548  -4.865 -10.374
  111    HA   CYS  16           HA       CYS  16   8.673  -5.925 -12.120
  112    HB2  CYS  16          2HB       CYS  16   7.698  -8.154 -11.736
  113    HB3  CYS  16          3HB       CYS  16   8.218  -7.403 -10.232
  114    H    ARG  17           HN       ARG  17   5.813  -4.335 -12.198
  115    HA   ARG  17           HA       ARG  17   4.112  -4.089 -13.700
  116    HB2  ARG  17          2HB       ARG  17   6.490  -4.761 -15.408
  117    HB3  ARG  17          3HB       ARG  17   4.921  -4.438 -16.135
  118    HG2  ARG  17          2HG       ARG  17   5.138  -2.298 -14.517
  119    HG3  ARG  17          3HG       ARG  17   6.840  -2.600 -14.870
  120    HD2  ARG  17          2HD       ARG  17   4.666  -2.306 -16.939
  121    HD3  ARG  17          3HD       ARG  17   5.784  -1.030 -16.459
  122    HE   ARG  17           HE       ARG  17   6.311  -3.176 -18.254
  123   HH11  ARG  17          1HH1      ARG  17   7.776  -1.118 -15.860
  124   HH12  ARG  17          2HH1      ARG  17   9.369  -1.256 -16.527
  125   HH21  ARG  17          1HH2      ARG  17   8.403  -3.365 -19.143
  126   HH22  ARG  17          2HH2      ARG  17   9.724  -2.533 -18.395
  127    H    GLU  18           HN       GLU  18   3.423  -6.224 -12.504
  128    HA   GLU  18           HA       GLU  18   2.937  -8.270 -14.570
  129    HB2  GLU  18          2HB       GLU  18   3.472  -8.536 -11.627
  130    HB3  GLU  18          3HB       GLU  18   2.576  -9.781 -12.487
  131    HG2  GLU  18          2HG       GLU  18   5.396  -8.875 -12.997
  132    HG3  GLU  18          3HG       GLU  18   4.861 -10.440 -12.387
  133    H    GLU  19           HN       GLU  19   1.443  -8.329 -11.431
  134    HA   GLU  19           HA       GLU  19  -0.921  -6.918 -12.067
  135    HB2  GLU  19          2HB       GLU  19  -0.761  -9.519 -13.186
  136    HB3  GLU  19          3HB       GLU  19  -1.918  -9.592 -11.865
  137    HG2  GLU  19          2HG       GLU  19  -3.380  -8.917 -13.412
  138    HG3  GLU  19          3HG       GLU  19  -2.705  -7.319 -13.098
  139    H    MET  20           HN       MET  20  -2.370  -6.826 -10.333
  140    HA   MET  20           HA       MET  20  -1.522  -8.259  -7.903
  141    HB2  MET  20          2HB       MET  20  -2.110  -5.356  -8.317
  142    HB3  MET  20          3HB       MET  20  -2.474  -6.087  -6.759
  143    HG2  MET  20          2HG       MET  20  -0.210  -6.648  -6.387
  144    HG3  MET  20          3HG       MET  20   0.226  -6.284  -8.054
  145    HE1  MET  20          1HE       MET  20   0.255  -2.724  -8.512
  146    HE2  MET  20          2HE       MET  20  -0.710  -4.111  -9.016
  147    HE3  MET  20          3HE       MET  20  -1.428  -2.860  -7.999
  148    H    VAL  21           HN       VAL  21  -3.079  -9.735  -7.604
  149    HA   VAL  21           HA       VAL  21  -5.856  -9.104  -8.181
  150    HB   VAL  21           HB       VAL  21  -6.095 -11.539  -7.196
  151   HG11  VAL  21          1HG1      VAL  21  -5.822 -12.427  -9.414
  152   HG12  VAL  21          2HG1      VAL  21  -6.496 -10.800  -9.534
  153   HG13  VAL  21          3HG1      VAL  21  -4.786 -11.076  -9.872
  154   HG21  VAL  21          1HG2      VAL  21  -3.228 -11.585  -8.114
  155   HG22  VAL  21          2HG2      VAL  21  -3.705 -11.526  -6.417
  156   HG23  VAL  21          3HG2      VAL  21  -4.160 -12.907  -7.413
  157    H    THR  22           HN       THR  22  -3.732  -9.383  -5.453
  158    HA   THR  22           HA       THR  22  -5.410  -8.050  -3.681
  159    HB   THR  22           HB       THR  22  -6.874  -9.979  -3.721
  160    HG1  THR  22          1HG       THR  22  -6.629 -10.572  -1.420
  161   HG21  THR  22          1HG2      THR  22  -6.215 -12.143  -3.639
  162   HG22  THR  22          2HG2      THR  22  -4.923 -11.815  -2.484
  163   HG23  THR  22          3HG2      THR  22  -4.680 -11.480  -4.198
  164    H    GLY  23           HN       GLY  23  -2.808 -10.304  -4.215
  165    HA2  GLY  23          1HA       GLY  23  -1.630 -10.026  -1.617
  166    HA3  GLY  23          2HA       GLY  23  -0.874 -10.740  -3.033
  167    H    ALA  24           HN       ALA  24  -2.055  -7.488  -2.163
  168    HA   ALA  24           HA       ALA  24   0.626  -6.414  -2.424
  169    HB1  ALA  24          1HB       ALA  24  -0.806  -4.636  -4.000
  170    HB2  ALA  24          2HB       ALA  24   0.402  -5.798  -4.550
  171    HB3  ALA  24          3HB       ALA  24  -1.308  -6.228  -4.568
  172    H    LYS  25           HN       LYS  25   0.768  -4.168  -1.747
  173    HA   LYS  25           HA       LYS  25  -1.402  -3.465   0.114
  174    HB2  LYS  25          2HB       LYS  25   1.433  -2.451   0.252
  175    HB3  LYS  25          3HB       LYS  25   0.206  -2.415   1.510
  176    HG2  LYS  25          2HG       LYS  25   1.518  -4.898   0.422
  177    HG3  LYS  25          3HG       LYS  25   1.922  -4.100   1.944
  178    HD2  LYS  25          2HD       LYS  25  -0.899  -4.563   1.839
  179    HD3  LYS  25          3HD       LYS  25  -0.049  -6.066   1.475
  180    HE2  LYS  25          2HE       LYS  25   0.730  -6.271   3.572
  181    HE3  LYS  25          3HE       LYS  25   1.085  -4.550   3.711
  182    HZ1  LYS  25          1HZ       LYS  25  -0.645  -4.516   5.096
  183    HZ2  LYS  25          2HZ       LYS  25  -1.229  -6.018   4.580
  184    HZ3  LYS  25          3HZ       LYS  25  -1.619  -4.616   3.716
  185    H    ARG  26           HN       ARG  26  -1.219  -0.956   0.639
  186    HA   ARG  26           HA       ARG  26  -1.157   0.460  -1.946
  187    HB2  ARG  26          2HB       ARG  26  -3.459   0.084  -1.059
  188    HB3  ARG  26          3HB       ARG  26  -3.021   1.014   0.368
  189    HG2  ARG  26          2HG       ARG  26  -2.438   2.889  -1.297
  190    HG3  ARG  26          3HG       ARG  26  -3.392   1.950  -2.448
  191    HD2  ARG  26          2HD       ARG  26  -4.674   3.729  -1.257
  192    HD3  ARG  26          3HD       ARG  26  -5.336   2.105  -1.068
  193    HE   ARG  26           HE       ARG  26  -3.550   2.843   1.049
  194   HH11  ARG  26          1HH1      ARG  26  -6.823   3.070  -0.117
  195   HH12  ARG  26          2HH1      ARG  26  -7.507   3.302   1.459
  196   HH21  ARG  26          1HH2      ARG  26  -4.438   3.147   3.128
  197   HH22  ARG  26          2HH2      ARG  26  -6.149   3.347   3.303
  198    H    LEU  27           HN       LEU  27  -0.242   2.477  -2.007
  199    HA   LEU  27           HA       LEU  27   1.337   3.216   0.342
  200    HB2  LEU  27          2HB       LEU  27   1.500   3.958  -2.566
  201    HB3  LEU  27          3HB       LEU  27   2.435   4.792  -1.326
  202    HG   LEU  27           HG       LEU  27   2.637   1.868  -2.048
  203   HD11  LEU  27          1HD1      LEU  27   3.587   3.697  -3.602
  204   HD12  LEU  27          2HD1      LEU  27   4.628   2.356  -3.128
  205   HD13  LEU  27          3HD1      LEU  27   4.793   3.922  -2.336
  206   HD21  LEU  27          1HD2      LEU  27   3.680   3.472   0.212
  207   HD22  LEU  27          2HD2      LEU  27   4.791   2.329  -0.542
  208   HD23  LEU  27          3HD2      LEU  27   3.262   1.761   0.129
  209    HA   PRO  28           HA       PRO  28  -1.074   6.750   1.327
  210    HB2  PRO  28          2HB       PRO  28   0.839   8.443   2.248
  211    HB3  PRO  28          3HB       PRO  28   0.295   7.024   3.152
  212    HG2  PRO  28          2HG       PRO  28   2.728   7.362   1.440
  213    HG3  PRO  28          3HG       PRO  28   2.571   6.573   3.021
  214    HD2  PRO  28          2HD       PRO  28   2.659   5.180   0.701
  215    HD3  PRO  28          3HD       PRO  28   1.729   4.631   2.109
  216    H    CYS  29           HN       CYS  29   0.904   6.653  -1.301
  217    HA   CYS  29           HA       CYS  29   0.410   9.464  -2.021
  218    HB2  CYS  29          2HB       CYS  29   2.137   8.958  -3.848
  219    HB3  CYS  29          3HB       CYS  29   2.726   9.085  -2.194
  220    H    ASN  30           HN       ASN  30  -0.981   6.562  -2.366
  221    HA   ASN  30           HA       ASN  30  -2.751   5.950  -3.703
  222    HB2  ASN  30          2HB       ASN  30  -2.776   8.509  -4.270
  223    HB3  ASN  30          3HB       ASN  30  -2.028   7.990  -5.778
  224   HD21  ASN  30          1HD2      ASN  30  -3.252   7.062  -7.320
  225   HD22  ASN  30          2HD2      ASN  30  -4.952   6.789  -7.181
  226    H    HIS  31           HN       HIS  31  -0.552   4.489  -3.745
  227    HA   HIS  31           HA       HIS  31  -0.453   3.530  -6.480
  228    HB2  HIS  31          2HB       HIS  31   2.057   4.345  -5.001
  229    HB3  HIS  31          3HB       HIS  31   2.025   3.451  -6.517
  230    HD2  HIS  31          2HD       HIS  31   0.304   5.138  -8.476
  231    HE1  HIS  31          1HE       HIS  31   2.295   8.594  -7.031
  232    HE2  HIS  31          2HE       HIS  31   0.813   7.649  -8.835
  233    H    ILE  32           HN       ILE  32  -0.968   1.462  -6.256
  234    HA   ILE  32           HA       ILE  32  -0.178   0.018  -3.843
  235    HB   ILE  32           HB       ILE  32  -2.097  -0.653  -6.067
  236   HG12  ILE  32          2HG1      ILE  32  -2.709  -0.536  -3.130
  237   HG13  ILE  32          3HG1      ILE  32  -2.617   0.950  -4.070
  238   HG21  ILE  32          1HG2      ILE  32  -2.359  -2.525  -3.986
  239   HG22  ILE  32          2HG2      ILE  32  -1.823  -2.813  -5.640
  240   HG23  ILE  32          3HG2      ILE  32  -0.642  -2.453  -4.382
  241   HD11  ILE  32          1HD1      ILE  32  -4.872   0.406  -4.086
  242   HD12  ILE  32          2HD1      ILE  32  -4.292  -0.186  -5.643
  243   HD13  ILE  32          3HD1      ILE  32  -4.555  -1.314  -4.313
  244    H    PHE  33           HN       PHE  33   1.264  -1.616  -3.803
  245    HA   PHE  33           HA       PHE  33   2.207  -2.791  -6.295
  246    HB2  PHE  33          2HB       PHE  33   4.121  -1.524  -4.327
  247    HB3  PHE  33          3HB       PHE  33   4.550  -2.357  -5.816
  248    HD1  PHE  33          1HD       PHE  33   3.380  -1.361  -7.978
  249    HD2  PHE  33          2HD       PHE  33   4.054   0.766  -4.353
  250    HE1  PHE  33          1HE       PHE  33   3.249   0.766  -9.207
  251    HE2  PHE  33          2HE       PHE  33   3.923   2.897  -5.576
  252    HZ   PHE  33           HZ       PHE  33   3.519   2.900  -8.006
  253    H    HIS  34           HN       HIS  34   3.180  -4.816  -6.049
  254    HA   HIS  34           HA       HIS  34   2.221  -6.565  -4.235
  255    HB2  HIS  34          2HB       HIS  34   4.891  -6.544  -5.629
  256    HB3  HIS  34          3HB       HIS  34   4.393  -7.890  -4.608
  257    HD2  HIS  34          2HD       HIS  34   1.222  -7.901  -5.773
  258    HE1  HIS  34          1HE       HIS  34   3.181  -8.848  -9.415
  259    HE2  HIS  34          2HE       HIS  34   0.978  -8.775  -8.195
  260    H    THR  35           HN       THR  35   2.724  -7.346  -2.219
  261    HA   THR  35           HA       THR  35   4.023  -5.532  -0.435
  262    HB   THR  35           HB       THR  35   3.298  -8.345   0.325
  263    HG1  THR  35          1HG       THR  35   1.327  -7.929  -0.318
  264   HG21  THR  35          1HG2      THR  35   3.380  -7.579   2.435
  265   HG22  THR  35          2HG2      THR  35   2.529  -6.090   2.025
  266   HG23  THR  35          3HG2      THR  35   4.267  -6.217   1.754
  267    H    SER  36           HN       SER  36   5.065  -8.190  -2.312
  268    HA   SER  36           HA       SER  36   7.406  -8.684  -0.638
  269    HB2  SER  36          2HB       SER  36   7.792 -10.620  -1.940
  270    HB3  SER  36          3HB       SER  36   6.039 -10.542  -1.762
  271    HG   SER  36           HG       SER  36   7.100 -10.875  -3.968
  272    H    CYS  37           HN       CYS  37   6.465  -6.985  -3.481
  273    HA   CYS  37           HA       CYS  37   9.145  -6.755  -4.542
  274    HB2  CYS  37          2HB       CYS  37   6.532  -5.444  -5.312
  275    HB3  CYS  37          3HB       CYS  37   8.052  -5.163  -6.153
  276    H    LEU  38           HN       LEU  38   6.945  -4.860  -2.584
  277    HA   LEU  38           HA       LEU  38   8.414  -2.427  -2.711
  278    HB2  LEU  38          2HB       LEU  38   6.253  -3.503  -0.951
  279    HB3  LEU  38          3HB       LEU  38   7.083  -2.013  -0.510
  280    HG   LEU  38           HG       LEU  38   5.506  -2.487  -3.037
  281   HD11  LEU  38          1HD1      LEU  38   4.045  -2.285  -1.144
  282   HD12  LEU  38          2HD1      LEU  38   3.998  -0.779  -2.059
  283   HD13  LEU  38          3HD1      LEU  38   4.924  -0.872  -0.561
  284   HD21  LEU  38          1HD2      LEU  38   6.044   0.253  -2.520
  285   HD22  LEU  38          2HD2      LEU  38   6.534  -0.724  -3.904
  286   HD23  LEU  38          3HD2      LEU  38   7.571  -0.627  -2.480
  287    H    ARG  39           HN       ARG  39   8.389  -5.171  -0.490
  288    HA   ARG  39           HA       ARG  39  10.033  -4.099   1.505
  289    HB2  ARG  39          2HB       ARG  39  10.548  -6.489   2.049
  290    HB3  ARG  39          3HB       ARG  39   8.832  -6.127   1.929
  291    HG2  ARG  39          2HG       ARG  39   8.849  -7.043  -0.373
  292    HG3  ARG  39          3HG       ARG  39  10.535  -7.505  -0.134
  293    HD2  ARG  39          2HD       ARG  39   9.706  -8.767   1.929
  294    HD3  ARG  39          3HD       ARG  39   8.089  -8.546   1.262
  295    HE   ARG  39           HE       ARG  39   9.457  -9.623  -0.803
  296   HH11  ARG  39          1HH1      ARG  39   9.064 -10.540   2.532
  297   HH12  ARG  39          2HH1      ARG  39   9.224 -12.237   2.219
  298   HH21  ARG  39          1HH2      ARG  39   9.670 -11.854  -1.227
  299   HH22  ARG  39          2HH2      ARG  39   9.571 -12.983   0.082
  300    H    SER  40           HN       SER  40  10.887  -6.075  -1.331
  301    HA   SER  40           HA       SER  40  13.705  -5.832  -0.829
  302    HB2  SER  40          2HB       SER  40  12.358  -7.713  -2.099
  303    HB3  SER  40          3HB       SER  40  12.626  -6.666  -3.493
  304    HG   SER  40           HG       SER  40  14.357  -8.317  -2.233
  305    H    TRP  41           HN       TRP  41  11.337  -3.946  -2.404
  306    HA   TRP  41           HA       TRP  41  13.100  -2.648  -4.264
  307    HB2  TRP  41          2HB       TRP  41  10.789  -2.728  -4.860
  308    HB3  TRP  41          3HB       TRP  41  10.300  -2.039  -3.314
  309    HD1  TRP  41          1HD       TRP  41  10.547   0.605  -3.010
  310    HE1  TRP  41          1HE       TRP  41  10.812   2.515  -4.714
  311    HE3  TRP  41          3HE       TRP  41  11.850  -2.146  -7.118
  312    HZ2  TRP  41          2HZ       TRP  41  11.485   2.816  -7.439
  313    HZ3  TRP  41          3HZ       TRP  41  12.286  -0.969  -9.235
  314    HH2  TRP  41          2HH       TRP  41  12.106   1.460  -9.390
  315    H    PHE  42           HN       PHE  42  11.547  -1.696  -1.205
  316    HA   PHE  42           HA       PHE  42  12.964   0.793  -1.080
  317    HB2  PHE  42          2HB       PHE  42  11.134  -0.694   0.776
  318    HB3  PHE  42          3HB       PHE  42  12.042   0.698   1.357
  319    HD1  PHE  42          1HD       PHE  42   8.940  -0.143   0.435
  320    HD2  PHE  42          2HD       PHE  42  11.962   2.627  -0.711
  321    HE1  PHE  42          1HE       PHE  42   7.216   1.355  -0.482
  322    HE2  PHE  42          2HE       PHE  42  10.243   4.129  -1.628
  323    HZ   PHE  42           HZ       PHE  42   7.866   3.495  -1.513
  324    H    GLN  43           HN       GLN  43  13.590  -2.445  -0.107
  325    HA   GLN  43           HA       GLN  43  15.245  -2.199   2.072
  326    HB2  GLN  43          2HB       GLN  43  14.965  -4.115  -0.140
  327    HB3  GLN  43          3HB       GLN  43  16.549  -4.116   0.624
  328    HG2  GLN  43          2HG       GLN  43  14.572  -4.072   2.664
  329    HG3  GLN  43          3HG       GLN  43  14.158  -5.339   1.509
  330   HE21  GLN  43          1HE2      GLN  43  14.609  -6.895   3.112
  331   HE22  GLN  43          2HE2      GLN  43  16.234  -7.328   3.507
  332    H    ARG  44           HN       ARG  44  15.836  -1.219  -1.199
  333    HA   ARG  44           HA       ARG  44  18.543  -0.359  -0.416
  334    HB2  ARG  44          2HB       ARG  44  17.989  -0.814  -3.292
  335    HB3  ARG  44          3HB       ARG  44  19.462  -1.088  -2.371
  336    HG2  ARG  44          2HG       ARG  44  18.586  -3.138  -1.479
  337    HG3  ARG  44          3HG       ARG  44  17.017  -2.837  -2.229
  338    HD2  ARG  44          2HD       ARG  44  18.243  -2.825  -4.448
  339    HD3  ARG  44          3HD       ARG  44  19.633  -3.466  -3.573
  340    HE   ARG  44           HE       ARG  44  17.319  -5.019  -3.060
  341   HH11  ARG  44          1HH1      ARG  44  19.727  -4.384  -5.493
  342   HH12  ARG  44          2HH1      ARG  44  19.597  -5.952  -6.217
  343   HH21  ARG  44          1HH2      ARG  44  17.140  -7.088  -4.005
  344   HH22  ARG  44          2HH2      ARG  44  18.124  -7.489  -5.370
  345    H    GLN  45           HN       GLN  45  15.506   0.431  -1.837
  346    HA   GLN  45           HA       GLN  45  16.498   3.122  -2.508
  347    HB2  GLN  45          2HB       GLN  45  13.890   2.022  -3.504
  348    HB3  GLN  45          3HB       GLN  45  14.885   3.300  -4.189
  349    HG2  GLN  45          2HG       GLN  45  15.381   0.340  -4.262
  350    HG3  GLN  45          3HG       GLN  45  15.065   1.424  -5.616
  351   HE21  GLN  45          1HE2      GLN  45  16.804   3.503  -4.494
  352   HE22  GLN  45          2HE2      GLN  45  18.421   2.976  -4.793
  353    H    GLN  46           HN       GLN  46  14.772   4.851  -2.274
  354    HA   GLN  46           HA       GLN  46  12.987   4.343  -0.006
  355    HB2  GLN  46          2HB       GLN  46  15.265   5.381   0.654
  356    HB3  GLN  46          3HB       GLN  46  14.646   6.846  -0.095
  357    HG2  GLN  46          2HG       GLN  46  12.575   6.201   1.510
  358    HG3  GLN  46          3HG       GLN  46  13.927   5.568   2.448
  359   HE21  GLN  46          1HE2      GLN  46  12.116   8.276   1.705
  360   HE22  GLN  46          2HE2      GLN  46  13.150   9.479   2.388
  361    H    THR  47           HN       THR  47  12.509   4.682  -2.849
  362    HA   THR  47           HA       THR  47  10.682   6.968  -2.680
  363    HB   THR  47           HB       THR  47  11.518   6.871  -5.370
  364    HG1  THR  47          1HG       THR  47  13.446   5.845  -4.258
  365   HG21  THR  47          1HG2      THR  47  12.391   8.905  -3.329
  366   HG22  THR  47          2HG2      THR  47  10.732   8.808  -3.921
  367   HG23  THR  47          3HG2      THR  47  12.049   9.152  -5.042
  368    H    CYS  48           HN       CYS  48   9.018   6.912  -4.424
  369    HA   CYS  48           HA       CYS  48   7.864   4.307  -4.569
  370    HB2  CYS  48          2HB       CYS  48   6.863   6.848  -4.658
  371    HB3  CYS  48          3HB       CYS  48   6.763   6.377  -6.352
  372    HA   PRO  49           HA       PRO  49   9.696   2.908  -8.330
  373    HB2  PRO  49          2HB       PRO  49   7.911   0.950  -8.922
  374    HB3  PRO  49          3HB       PRO  49   9.116   0.795  -7.638
  375    HG2  PRO  49          2HG       PRO  49   6.217   1.513  -7.439
  376    HG3  PRO  49          3HG       PRO  49   7.173   0.423  -6.417
  377    HD2  PRO  49          2HD       PRO  49   6.571   2.959  -5.678
  378    HD3  PRO  49          3HD       PRO  49   8.081   2.156  -5.200
  379    H    THR  50           HN       THR  50   6.993   4.754  -8.130
  380    HA   THR  50           HA       THR  50   6.704   4.830 -11.052
  381    HB   THR  50           HB       THR  50   4.776   3.593 -10.044
  382    HG1  THR  50          1HG       THR  50   4.745   5.646 -11.771
  383   HG21  THR  50          1HG2      THR  50   4.726   4.969  -7.940
  384   HG22  THR  50          2HG2      THR  50   3.155   4.735  -8.709
  385   HG23  THR  50          3HG2      THR  50   4.006   6.270  -8.887
  386    H    CYS  51           HN       CYS  51   5.851   6.497  -8.021
  387    HA   CYS  51           HA       CYS  51   6.080   9.064  -9.420
  388    HB2  CYS  51          2HB       CYS  51   4.772  10.025  -7.709
  389    HB3  CYS  51          3HB       CYS  51   4.030   8.457  -8.013
  390    H    ARG  52           HN       ARG  52   8.020   7.030  -7.762
  391    HA   ARG  52           HA       ARG  52   9.795   7.268  -6.297
  392    HB2  ARG  52          2HB       ARG  52  10.151   8.994  -8.681
  393    HB3  ARG  52          3HB       ARG  52  11.291   9.238  -7.364
  394    HG2  ARG  52          2HG       ARG  52  12.146   7.082  -7.539
  395    HG3  ARG  52          3HG       ARG  52  10.746   6.500  -8.442
  396    HD2  ARG  52          2HD       ARG  52  12.812   6.814  -9.812
  397    HD3  ARG  52          3HD       ARG  52  11.404   7.704 -10.390
  398    HE   ARG  52           HE       ARG  52  13.172   9.192  -8.651
  399   HH11  ARG  52          1HH1      ARG  52  12.352   8.332 -11.923
  400   HH12  ARG  52          2HH1      ARG  52  13.129   9.716 -12.620
  401   HH21  ARG  52          1HH2      ARG  52  14.198  11.017  -9.556
  402   HH22  ARG  52          2HH2      ARG  52  14.179  11.242 -11.273
  403    H    MET  53           HN       MET  53   7.673   8.505  -5.104
  404    HA   MET  53           HA       MET  53   8.716  11.086  -4.162
  405    HB2  MET  53          2HB       MET  53   6.558  11.734  -3.648
  406    HB3  MET  53          3HB       MET  53   6.290  10.728  -5.065
  407    HG2  MET  53          2HG       MET  53   4.655   9.983  -3.640
  408    HG3  MET  53          3HG       MET  53   5.951   8.828  -3.336
  409    HE1  MET  53          1HE       MET  53   3.924  11.659  -2.447
  410    HE2  MET  53          2HE       MET  53   3.405  10.957  -0.915
  411    HE3  MET  53          3HE       MET  53   4.520  12.325  -0.927
  412    H    ASP  54           HN       ASP  54   9.670  11.176  -2.244
  413    HA   ASP  54           HA       ASP  54  10.265   9.080  -0.609
  414    HB2  ASP  54          2HB       ASP  54  11.411  11.118  -0.239
  415    HB3  ASP  54          3HB       ASP  54   9.913  12.002   0.036
  416    H    VAL  55           HN       VAL  55   9.057   7.703   0.497
  417    HA   VAL  55           HA       VAL  55   6.459   8.622   1.537
  418    HB   VAL  55           HB       VAL  55   5.959   6.110   1.640
  419   HG11  VAL  55          1HG1      VAL  55   6.304   7.420  -1.056
  420   HG12  VAL  55          2HG1      VAL  55   5.236   6.065  -0.688
  421   HG13  VAL  55          3HG1      VAL  55   4.935   7.647   0.033
  422   HG21  VAL  55          1HG2      VAL  55   7.203   4.692   0.117
  423   HG22  VAL  55          2HG2      VAL  55   8.261   6.035  -0.312
  424   HG23  VAL  55          3HG2      VAL  55   8.292   5.376   1.323
  425    H    LEU  56           HN       LEU  56   9.310   6.659   2.286
  426    HA   LEU  56           HA       LEU  56   8.688   5.761   4.807
  427    HB2  LEU  56          2HB       LEU  56  11.213   6.504   3.436
  428    HB3  LEU  56          3HB       LEU  56  11.274   6.259   5.181
  429    HG   LEU  56           HG       LEU  56  11.929   4.255   3.912
  430   HD11  LEU  56          1HD1      LEU  56  10.891   2.781   5.329
  431   HD12  LEU  56          2HD1      LEU  56   9.323   3.576   5.187
  432   HD13  LEU  56          3HD1      LEU  56  10.595   4.306   6.164
  433   HD21  LEU  56          1HD2      LEU  56  10.335   4.759   2.003
  434   HD22  LEU  56          2HD2      LEU  56   9.066   4.067   3.013
  435   HD23  LEU  56          3HD2      LEU  56  10.439   3.075   2.519
  Start of MODEL   10
    1    H1   ALA   1           HN       ALA   1  -4.735  -3.834   0.489
    2    HA   ALA   1           HA       ALA   1  -6.293  -2.263  -0.487
    3    HB1  ALA   1          1HB       ALA   1  -4.474  -2.573  -1.951
    4    HB2  ALA   1          2HB       ALA   1  -5.052  -4.160  -2.462
    5    HB3  ALA   1          3HB       ALA   1  -5.918  -2.705  -2.956
    6    H    THR   2           HN       THR   2  -7.998  -2.069  -2.258
    7    HA   THR   2           HA       THR   2  -9.987  -4.207  -1.873
    8    HB   THR   2           HB       THR   2 -11.433  -2.621  -1.290
    9    HG1  THR   2          1HG       THR   2 -12.226  -1.274  -2.882
   10   HG21  THR   2          1HG2      THR   2  -9.284  -0.625  -2.016
   11   HG22  THR   2          2HG2      THR   2  -9.541  -1.354  -0.430
   12   HG23  THR   2          3HG2      THR   2 -10.748  -0.258  -1.105
   13    HA   PRO   3           HA       PRO   3 -10.187  -5.032  -6.179
   14    HB2  PRO   3          2HB       PRO   3 -12.840  -5.458  -6.559
   15    HB3  PRO   3          3HB       PRO   3 -11.797  -6.599  -5.703
   16    HG2  PRO   3          2HG       PRO   3 -13.661  -4.537  -4.592
   17    HG3  PRO   3          3HG       PRO   3 -13.402  -6.211  -4.065
   18    HD2  PRO   3          2HD       PRO   3 -12.294  -4.095  -2.791
   19    HD3  PRO   3          3HD       PRO   3 -11.495  -5.677  -2.887
   20    H    GLU   4           HN       GLU   4 -12.248  -2.497  -4.914
   21    HA   GLU   4           HA       GLU   4 -12.902  -1.427  -7.507
   22    HB2  GLU   4          2HB       GLU   4 -14.307  -1.260  -5.358
   23    HB3  GLU   4          3HB       GLU   4 -13.202   0.025  -4.889
   24    HG2  GLU   4          2HG       GLU   4 -13.937   1.447  -6.547
   25    HG3  GLU   4          3HG       GLU   4 -14.560   0.133  -7.542
   26    H    GLU   5           HN       GLU   5 -10.797  -0.475  -4.810
   27    HA   GLU   5           HA       GLU   5  -9.769   1.831  -6.129
   28    HB2  GLU   5          2HB       GLU   5  -8.609   0.274  -3.811
   29    HB3  GLU   5          3HB       GLU   5  -8.127   1.890  -4.309
   30    HG2  GLU   5          2HG       GLU   5 -10.967   1.331  -3.578
   31    HG3  GLU   5          3HG       GLU   5  -9.756   1.590  -2.324
   32    H    LEU   6           HN       LEU   6  -8.863  -1.536  -6.001
   33    HA   LEU   6           HA       LEU   6  -6.228  -1.264  -6.997
   34    HB2  LEU   6          2HB       LEU   6  -8.178  -3.476  -6.682
   35    HB3  LEU   6          3HB       LEU   6  -6.838  -3.728  -7.797
   36    HG   LEU   6           HG       LEU   6  -6.471  -2.944  -4.911
   37   HD11  LEU   6          1HD1      LEU   6  -6.510  -5.676  -6.177
   38   HD12  LEU   6          2HD1      LEU   6  -7.570  -5.069  -4.905
   39   HD13  LEU   6          3HD1      LEU   6  -5.857  -5.331  -4.575
   40   HD21  LEU   6          1HD2      LEU   6  -4.309  -4.400  -6.015
   41   HD22  LEU   6          2HD2      LEU   6  -4.338  -2.720  -5.476
   42   HD23  LEU   6          3HD2      LEU   6  -4.726  -3.117  -7.151
   43    H    GLN   7           HN       GLN   7  -9.257  -2.207  -8.627
   44    HA   GLN   7           HA       GLN   7  -8.119  -2.211 -11.225
   45    HB2  GLN   7          2HB       GLN   7 -10.531  -3.004 -10.096
   46    HB3  GLN   7          3HB       GLN   7 -10.982  -1.688 -11.171
   47    HG2  GLN   7          2HG       GLN   7  -9.123  -3.549 -12.402
   48    HG3  GLN   7          3HG       GLN   7 -10.619  -4.320 -11.877
   49   HE21  GLN   7          1HE2      GLN   7  -9.187  -2.947 -14.431
   50   HE22  GLN   7          2HE2      GLN   7 -10.566  -2.343 -15.278
   51    H    ALA   8           HN       ALA   8  -8.629   0.311  -9.192
   52    HA   ALA   8           HA       ALA   8  -9.409   2.209 -11.282
   53    HB1  ALA   8          1HB       ALA   8  -9.903   3.749  -9.585
   54    HB2  ALA   8          2HB       ALA   8 -10.456   2.197  -8.956
   55    HB3  ALA   8          3HB       ALA   8  -8.932   2.883  -8.396
   56    H    MET   9           HN       MET   9  -6.660   0.797 -10.515
   57    HA   MET   9           HA       MET   9  -5.071   3.112 -11.288
   58    HB2  MET   9          2HB       MET   9  -3.446   2.834  -9.525
   59    HB3  MET   9          3HB       MET   9  -5.033   3.072  -8.805
   60    HG2  MET   9          2HG       MET   9  -4.915   1.144  -7.728
   61    HG3  MET   9          3HG       MET   9  -4.515   0.274  -9.206
   62    HE1  MET   9          1HE       MET   9  -2.608  -0.548  -9.887
   63    HE2  MET   9          2HE       MET   9  -1.375   0.704 -10.040
   64    HE3  MET   9          3HE       MET   9  -1.092  -0.691  -8.997
   65    H    ASP  10           HN       ASP  10  -5.950   0.493 -12.423
   66    HA   ASP  10           HA       ASP  10  -4.993  -0.866 -14.016
   67    HB2  ASP  10          2HB       ASP  10  -3.022   0.941 -13.754
   68    HB3  ASP  10          3HB       ASP  10  -2.209  -0.462 -13.065
   69    H    ASN  11           HN       ASN  11  -4.300  -0.922 -10.665
   70    HA   ASN  11           HA       ASN  11  -3.765  -2.579  -9.186
   71    HB2  ASN  11          2HB       ASN  11  -6.023  -3.260  -9.723
   72    HB3  ASN  11          3HB       ASN  11  -5.469  -4.100 -11.169
   73   HD21  ASN  11          1HD2      ASN  11  -4.654  -6.126 -11.005
   74   HD22  ASN  11          2HD2      ASN  11  -4.603  -7.026  -9.531
   75    H    VAL  12           HN       VAL  12  -2.017  -2.228 -11.646
   76    HA   VAL  12           HA       VAL  12  -0.789  -4.902 -11.699
   77    HB   VAL  12           HB       VAL  12  -0.763  -2.631 -13.658
   78   HG11  VAL  12          1HG1      VAL  12   0.956  -4.442 -14.760
   79   HG12  VAL  12          2HG1      VAL  12   1.438  -2.947 -13.955
   80   HG13  VAL  12          3HG1      VAL  12   1.436  -4.470 -13.063
   81   HG21  VAL  12          1HG2      VAL  12  -2.473  -4.329 -13.923
   82   HG22  VAL  12          2HG2      VAL  12  -1.303  -4.441 -15.239
   83   HG23  VAL  12          3HG2      VAL  12  -1.249  -5.598 -13.908
   84    H    CYS  13           HN       CYS  13   0.946  -5.175 -10.476
   85    HA   CYS  13           HA       CYS  13   2.245  -3.095  -9.098
   86    HB2  CYS  13          2HB       CYS  13   2.257  -5.353  -8.225
   87    HB3  CYS  13          3HB       CYS  13   3.119  -5.936  -9.645
   88    H    ILE  14           HN       ILE  14   3.528  -1.595  -9.925
   89    HA   ILE  14           HA       ILE  14   4.681  -1.734 -12.497
   90    HB   ILE  14           HB       ILE  14   4.131   0.352 -11.079
   91   HG12  ILE  14          2HG1      ILE  14   5.067   0.551 -13.287
   92   HG13  ILE  14          3HG1      ILE  14   5.943   1.650 -12.226
   93   HG21  ILE  14          1HG2      ILE  14   5.984   1.272  -9.801
   94   HG22  ILE  14          2HG2      ILE  14   5.491  -0.286  -9.141
   95   HG23  ILE  14          3HG2      ILE  14   6.946  -0.170 -10.129
   96   HD11  ILE  14          1HD1      ILE  14   7.676   0.721 -13.365
   97   HD12  ILE  14          2HD1      ILE  14   7.570  -0.408 -12.013
   98   HD13  ILE  14          3HD1      ILE  14   6.859  -0.829 -13.571
   99    H    ILE  15           HN       ILE  15   6.096  -2.079  -9.256
  100    HA   ILE  15           HA       ILE  15   8.727  -2.262  -9.645
  101    HB   ILE  15           HB       ILE  15   7.124  -4.329  -8.135
  102   HG12  ILE  15          2HG1      ILE  15   8.566  -2.046  -6.855
  103   HG13  ILE  15          3HG1      ILE  15   7.019  -1.733  -7.634
  104   HG21  ILE  15          1HG2      ILE  15   9.458  -4.161  -6.808
  105   HG22  ILE  15          2HG2      ILE  15   9.132  -5.353  -8.064
  106   HG23  ILE  15          3HG2      ILE  15  10.020  -3.881  -8.456
  107   HD11  ILE  15          1HD1      ILE  15   6.084  -3.602  -6.214
  108   HD12  ILE  15          2HD1      ILE  15   7.597  -3.534  -5.309
  109   HD13  ILE  15          3HD1      ILE  15   6.542  -2.123  -5.372
  110    H    CYS  16           HN       CYS  16   6.544  -5.009 -10.284
  111    HA   CYS  16           HA       CYS  16   8.644  -6.174 -11.986
  112    HB2  CYS  16          2HB       CYS  16   7.457  -8.327 -11.668
  113    HB3  CYS  16          3HB       CYS  16   8.018  -7.634 -10.150
  114    H    ARG  17           HN       ARG  17   5.871  -4.418 -12.175
  115    HA   ARG  17           HA       ARG  17   4.266  -4.061 -13.760
  116    HB2  ARG  17          2HB       ARG  17   6.682  -4.845 -15.369
  117    HB3  ARG  17          3HB       ARG  17   5.172  -4.399 -16.152
  118    HG2  ARG  17          2HG       ARG  17   5.453  -2.317 -14.478
  119    HG3  ARG  17          3HG       ARG  17   7.147  -2.727 -14.751
  120    HD2  ARG  17          2HD       ARG  17   5.110  -2.244 -16.923
  121    HD3  ARG  17          3HD       ARG  17   6.279  -1.053 -16.353
  122    HE   ARG  17           HE       ARG  17   6.782  -3.285 -18.097
  123   HH11  ARG  17          1HH1      ARG  17   8.179  -1.021 -15.852
  124   HH12  ARG  17          2HH1      ARG  17   9.779  -1.161 -16.503
  125   HH21  ARG  17          1HH2      ARG  17   8.884  -3.479 -18.963
  126   HH22  ARG  17          2HH2      ARG  17  10.178  -2.559 -18.273
  127    H    GLU  18           HN       GLU  18   3.358  -6.138 -12.657
  128    HA   GLU  18           HA       GLU  18   2.776  -8.060 -14.809
  129    HB2  GLU  18          2HB       GLU  18   3.433  -8.615 -11.925
  130    HB3  GLU  18          3HB       GLU  18   2.526  -9.764 -12.898
  131    HG2  GLU  18          2HG       GLU  18   5.322  -8.776 -13.396
  132    HG3  GLU  18          3HG       GLU  18   4.833 -10.394 -12.893
  133    H    GLU  19           HN       GLU  19   1.487  -8.378 -11.602
  134    HA   GLU  19           HA       GLU  19  -0.896  -6.868 -12.048
  135    HB2  GLU  19          2HB       GLU  19  -0.877  -9.362 -13.259
  136    HB3  GLU  19          3HB       GLU  19  -1.730  -9.644 -11.748
  137    HG2  GLU  19          2HG       GLU  19  -3.187  -7.680 -12.335
  138    HG3  GLU  19          3HG       GLU  19  -2.439  -7.707 -13.931
  139    H    MET  20           HN       MET  20  -2.301  -6.861 -10.229
  140    HA   MET  20           HA       MET  20  -1.195  -8.168  -7.832
  141    HB2  MET  20          2HB       MET  20  -2.155  -5.332  -8.168
  142    HB3  MET  20          3HB       MET  20  -2.032  -6.097  -6.589
  143    HG2  MET  20          2HG       MET  20   0.339  -6.412  -6.878
  144    HG3  MET  20          3HG       MET  20   0.252  -5.780  -8.521
  145    HE1  MET  20          1HE       MET  20  -1.318  -2.340  -7.770
  146    HE2  MET  20          2HE       MET  20   0.126  -2.562  -8.759
  147    HE3  MET  20          3HE       MET  20  -1.202  -3.718  -8.866
  148    H    VAL  21           HN       VAL  21  -3.012  -9.621  -8.926
  149    HA   VAL  21           HA       VAL  21  -5.709  -9.039  -8.674
  150    HB   VAL  21           HB       VAL  21  -5.854 -11.626  -8.176
  151   HG11  VAL  21          1HG1      VAL  21  -6.459 -11.615 -10.312
  152   HG12  VAL  21          2HG1      VAL  21  -5.718 -10.024 -10.491
  153   HG13  VAL  21          3HG1      VAL  21  -4.776 -11.479 -10.820
  154   HG21  VAL  21          1HG2      VAL  21  -3.957 -12.896  -8.666
  155   HG22  VAL  21          2HG2      VAL  21  -3.112 -11.529  -9.391
  156   HG23  VAL  21          3HG2      VAL  21  -3.339 -11.599  -7.643
  157    H    THR  22           HN       THR  22  -3.416 -10.135  -6.241
  158    HA   THR  22           HA       THR  22  -5.018  -9.146  -4.111
  159    HB   THR  22           HB       THR  22  -6.353 -11.081  -4.268
  160    HG1  THR  22          1HG       THR  22  -5.677 -12.287  -2.362
  161   HG21  THR  22          1HG2      THR  22  -5.455 -13.352  -4.455
  162   HG22  THR  22          2HG2      THR  22  -3.815 -12.702  -4.500
  163   HG23  THR  22          3HG2      THR  22  -4.940 -12.351  -5.811
  164    H    GLY  23           HN       GLY  23  -4.024  -9.629  -1.957
  165    HA2  GLY  23          1HA       GLY  23  -2.205  -9.829  -0.561
  166    HA3  GLY  23          2HA       GLY  23  -1.414 -10.766  -1.820
  167    H    ALA  24           HN       ALA  24  -2.442  -7.388  -1.301
  168    HA   ALA  24           HA       ALA  24   0.277  -6.482  -1.739
  169    HB1  ALA  24          1HB       ALA  24  -0.972  -6.714  -4.000
  170    HB2  ALA  24          2HB       ALA  24  -1.804  -5.244  -3.491
  171    HB3  ALA  24          3HB       ALA  24  -0.049  -5.249  -3.666
  172    H    LYS  25           HN       LYS  25   0.544  -4.184  -1.285
  173    HA   LYS  25           HA       LYS  25  -1.529  -3.207   0.564
  174    HB2  LYS  25          2HB       LYS  25   1.351  -2.328   0.571
  175    HB3  LYS  25          3HB       LYS  25   0.158  -2.168   1.854
  176    HG2  LYS  25          2HG       LYS  25   1.252  -4.800   0.887
  177    HG3  LYS  25          3HG       LYS  25   1.888  -3.903   2.267
  178    HD2  LYS  25          2HD       LYS  25  -1.008  -4.284   2.351
  179    HD3  LYS  25          3HD       LYS  25  -0.095  -5.795   2.370
  180    HE2  LYS  25          2HE       LYS  25  -0.086  -5.376   4.600
  181    HE3  LYS  25          3HE       LYS  25   1.336  -4.433   4.158
  182    HZ1  LYS  25          1HZ       LYS  25  -1.378  -3.252   4.272
  183    HZ2  LYS  25          2HZ       LYS  25   0.109  -2.447   4.229
  184    HZ3  LYS  25          3HZ       LYS  25  -0.352  -3.295   5.617
  185    H    ARG  26           HN       ARG  26  -1.224  -0.686   0.863
  186    HA   ARG  26           HA       ARG  26  -1.034   0.525  -1.816
  187    HB2  ARG  26          2HB       ARG  26  -3.385   0.298  -1.164
  188    HB3  ARG  26          3HB       ARG  26  -3.061   1.158   0.336
  189    HG2  ARG  26          2HG       ARG  26  -2.564   3.178  -0.871
  190    HG3  ARG  26          3HG       ARG  26  -2.717   2.334  -2.412
  191    HD2  ARG  26          2HD       ARG  26  -5.008   2.290  -0.507
  192    HD3  ARG  26          3HD       ARG  26  -4.703   3.757  -1.438
  193    HE   ARG  26           HE       ARG  26  -5.713   1.248  -2.427
  194   HH11  ARG  26          1HH1      ARG  26  -4.104   4.226  -3.243
  195   HH12  ARG  26          2HH1      ARG  26  -4.573   4.174  -4.910
  196   HH21  ARG  26          1HH2      ARG  26  -6.337   1.169  -4.619
  197   HH22  ARG  26          2HH2      ARG  26  -5.844   2.435  -5.692
  198    H    LEU  27           HN       LEU  27  -0.322   2.687  -1.908
  199    HA   LEU  27           HA       LEU  27   1.242   3.497   0.440
  200    HB2  LEU  27          2HB       LEU  27   1.482   4.164  -2.483
  201    HB3  LEU  27          3HB       LEU  27   2.400   4.998  -1.232
  202    HG   LEU  27           HG       LEU  27   2.567   2.050  -1.855
  203   HD11  LEU  27          1HD1      LEU  27   3.531   3.915  -3.458
  204   HD12  LEU  27          2HD1      LEU  27   4.434   2.444  -3.102
  205   HD13  LEU  27          3HD1      LEU  27   4.822   3.941  -2.257
  206   HD21  LEU  27          1HD2      LEU  27   4.599   2.221  -0.379
  207   HD22  LEU  27          2HD2      LEU  27   3.047   2.360   0.447
  208   HD23  LEU  27          3HD2      LEU  27   4.006   3.805   0.122
  209    HA   PRO  28           HA       PRO  28  -1.242   7.036   1.204
  210    HB2  PRO  28          2HB       PRO  28   0.620   8.789   2.116
  211    HB3  PRO  28          3HB       PRO  28   0.063   7.400   3.059
  212    HG2  PRO  28          2HG       PRO  28   2.546   7.700   1.414
  213    HG3  PRO  28          3HG       PRO  28   2.349   6.974   3.019
  214    HD2  PRO  28          2HD       PRO  28   2.527   5.491   0.761
  215    HD3  PRO  28          3HD       PRO  28   1.560   4.986   2.161
  216    H    CYS  29           HN       CYS  29   0.821   6.858  -1.354
  217    HA   CYS  29           HA       CYS  29   0.343   9.637  -2.195
  218    HB2  CYS  29          2HB       CYS  29   2.093   9.046  -3.975
  219    HB3  CYS  29          3HB       CYS  29   2.659   9.229  -2.318
  220    H    ASN  30           HN       ASN  30  -1.055   6.723  -2.458
  221    HA   ASN  30           HA       ASN  30  -2.811   6.074  -3.796
  222    HB2  ASN  30          2HB       ASN  30  -2.762   8.634  -4.464
  223    HB3  ASN  30          3HB       ASN  30  -2.090   8.001  -5.963
  224   HD21  ASN  30          1HD2      ASN  30  -3.938   8.731  -7.067
  225   HD22  ASN  30          2HD2      ASN  30  -5.432   7.867  -6.981
  226    H    HIS  31           HN       HIS  31  -0.611   4.609  -3.764
  227    HA   HIS  31           HA       HIS  31  -0.485   3.560  -6.464
  228    HB2  HIS  31          2HB       HIS  31   2.015   4.414  -4.989
  229    HB3  HIS  31          3HB       HIS  31   1.989   3.483  -6.484
  230    HD2  HIS  31          2HD       HIS  31   0.271   5.135  -8.483
  231    HE1  HIS  31          1HE       HIS  31   2.289   8.610  -7.123
  232    HE2  HIS  31          2HE       HIS  31   0.798   7.632  -8.903
  233    H    ILE  32           HN       ILE  32  -0.805   1.451  -6.296
  234    HA   ILE  32           HA       ILE  32  -0.090   0.101  -3.791
  235    HB   ILE  32           HB       ILE  32  -1.990  -0.690  -5.997
  236   HG12  ILE  32          2HG1      ILE  32  -2.492  -0.113  -3.070
  237   HG13  ILE  32          3HG1      ILE  32  -2.735   1.054  -4.365
  238   HG21  ILE  32          1HG2      ILE  32  -0.585  -2.346  -4.120
  239   HG22  ILE  32          2HG2      ILE  32  -2.317  -2.397  -3.798
  240   HG23  ILE  32          3HG2      ILE  32  -1.705  -2.810  -5.400
  241   HD11  ILE  32          1HD1      ILE  32  -4.343  -0.608  -5.378
  242   HD12  ILE  32          2HD1      ILE  32  -4.238  -1.490  -3.853
  243   HD13  ILE  32          3HD1      ILE  32  -4.851   0.164  -3.876
  244    H    PHE  33           HN       PHE  33   1.291  -1.602  -3.721
  245    HA   PHE  33           HA       PHE  33   2.259  -2.795  -6.192
  246    HB2  PHE  33          2HB       PHE  33   4.188  -1.567  -4.214
  247    HB3  PHE  33          3HB       PHE  33   4.592  -2.364  -5.730
  248    HD1  PHE  33          1HD       PHE  33   3.769   0.722  -4.141
  249    HD2  PHE  33          2HD       PHE  33   3.788  -1.294  -7.889
  250    HE1  PHE  33          1HE       PHE  33   3.650   2.888  -5.302
  251    HE2  PHE  33          2HE       PHE  33   3.670   0.868  -9.056
  252    HZ   PHE  33           HZ       PHE  33   3.602   2.962  -7.764
  253    H    HIS  34           HN       HIS  34   3.025  -4.865  -5.945
  254    HA   HIS  34           HA       HIS  34   2.085  -6.548  -4.085
  255    HB2  HIS  34          2HB       HIS  34   4.724  -6.643  -5.534
  256    HB3  HIS  34          3HB       HIS  34   4.198  -7.958  -4.486
  257    HD2  HIS  34          2HD       HIS  34   1.081  -8.162  -5.484
  258    HE1  HIS  34          1HE       HIS  34   2.791  -8.705  -9.328
  259    HE2  HIS  34          2HE       HIS  34   0.702  -8.896  -7.935
  260    H    THR  35           HN       THR  35   2.615  -7.342  -2.075
  261    HA   THR  35           HA       THR  35   3.999  -5.553  -0.331
  262    HB   THR  35           HB       THR  35   3.152  -8.353   0.391
  263    HG1  THR  35          1HG       THR  35   1.098  -7.430   0.861
  264   HG21  THR  35          1HG2      THR  35   2.877  -5.959   2.146
  265   HG22  THR  35          2HG2      THR  35   4.481  -6.651   1.907
  266   HG23  THR  35          3HG2      THR  35   3.183  -7.642   2.574
  267    H    SER  36           HN       SER  36   4.934  -8.249  -2.214
  268    HA   SER  36           HA       SER  36   7.304  -8.779  -0.593
  269    HB2  SER  36          2HB       SER  36   6.783 -10.160  -3.195
  270    HB3  SER  36          3HB       SER  36   7.517 -10.789  -1.721
  271    HG   SER  36           HG       SER  36   5.332 -11.540  -2.187
  272    H    CYS  37           HN       CYS  37   6.329  -7.034  -3.375
  273    HA   CYS  37           HA       CYS  37   8.990  -6.897  -4.522
  274    HB2  CYS  37          2HB       CYS  37   6.383  -5.561  -5.271
  275    HB3  CYS  37          3HB       CYS  37   7.892  -5.326  -6.146
  276    H    LEU  38           HN       LEU  38   6.957  -5.053  -2.402
  277    HA   LEU  38           HA       LEU  38   8.404  -2.592  -2.652
  278    HB2  LEU  38          2HB       LEU  38   6.297  -3.639  -0.808
  279    HB3  LEU  38          3HB       LEU  38   7.155  -2.152  -0.409
  280    HG   LEU  38           HG       LEU  38   5.482  -2.634  -2.874
  281   HD11  LEU  38          1HD1      LEU  38   4.096  -0.805  -1.813
  282   HD12  LEU  38          2HD1      LEU  38   5.008  -1.100  -0.333
  283   HD13  LEU  38          3HD1      LEU  38   4.027  -2.387  -1.034
  284   HD21  LEU  38          1HD2      LEU  38   6.061   0.106  -2.410
  285   HD22  LEU  38          2HD2      LEU  38   6.500  -0.893  -3.795
  286   HD23  LEU  38          3HD2      LEU  38   7.583  -0.785  -2.407
  287    H    ARG  39           HN       ARG  39   8.444  -5.332  -0.429
  288    HA   ARG  39           HA       ARG  39  10.139  -4.279   1.524
  289    HB2  ARG  39          2HB       ARG  39  10.686  -6.654   2.039
  290    HB3  ARG  39          3HB       ARG  39   8.960  -6.341   1.915
  291    HG2  ARG  39          2HG       ARG  39   9.009  -7.235  -0.392
  292    HG3  ARG  39          3HG       ARG  39  10.710  -7.644  -0.159
  293    HD2  ARG  39          2HD       ARG  39   8.560  -8.629   1.694
  294    HD3  ARG  39          3HD       ARG  39   8.986  -9.493   0.217
  295    HE   ARG  39           HE       ARG  39  11.333  -9.006   1.658
  296   HH11  ARG  39          1HH1      ARG  39   8.402 -10.868   1.918
  297   HH12  ARG  39          2HH1      ARG  39   9.129 -12.124   2.865
  298   HH21  ARG  39          1HH2      ARG  39  12.302 -10.653   2.905
  299   HH22  ARG  39          2HH2      ARG  39  11.347 -11.999   3.427
  300    H    SER  40           HN       SER  40  10.943  -6.198  -1.365
  301    HA   SER  40           HA       SER  40  13.770  -5.926  -0.939
  302    HB2  SER  40          2HB       SER  40  12.108  -7.571  -2.508
  303    HB3  SER  40          3HB       SER  40  13.100  -6.662  -3.648
  304    HG   SER  40           HG       SER  40  14.180  -8.538  -3.017
  305    H    TRP  41           HN       TRP  41  11.342  -4.018  -2.377
  306    HA   TRP  41           HA       TRP  41  13.026  -2.667  -4.273
  307    HB2  TRP  41          2HB       TRP  41  10.698  -2.743  -4.786
  308    HB3  TRP  41          3HB       TRP  41  10.260  -2.104  -3.204
  309    HD1  TRP  41          1HD       TRP  41  10.186   0.495  -2.926
  310    HE1  TRP  41          1HE       TRP  41  10.497   2.471  -4.545
  311    HE3  TRP  41          3HE       TRP  41  12.106  -2.034  -6.933
  312    HZ2  TRP  41          2HZ       TRP  41  11.433   2.901  -7.173
  313    HZ3  TRP  41          3HZ       TRP  41  12.683  -0.765  -8.961
  314    HH2  TRP  41          2HH       TRP  41  12.352   1.651  -9.077
  315    H    PHE  42           HN       PHE  42  11.477  -1.677  -1.215
  316    HA   PHE  42           HA       PHE  42  12.906   0.777  -1.060
  317    HB2  PHE  42          2HB       PHE  42  11.164  -0.780   0.817
  318    HB3  PHE  42          3HB       PHE  42  12.100   0.581   1.427
  319    HD1  PHE  42          1HD       PHE  42   8.959  -0.167   0.669
  320    HD2  PHE  42          2HD       PHE  42  11.955   2.565  -0.626
  321    HE1  PHE  42          1HE       PHE  42   7.209   1.376  -0.110
  322    HE2  PHE  42          2HE       PHE  42  10.210   4.114  -1.406
  323    HZ   PHE  42           HZ       PHE  42   7.833   3.522  -1.148
  324    H    GLN  43           HN       GLN  43  13.744  -2.441  -0.377
  325    HA   GLN  43           HA       GLN  43  15.446  -2.256   1.798
  326    HB2  GLN  43          2HB       GLN  43  15.163  -4.056  -0.517
  327    HB3  GLN  43          3HB       GLN  43  16.761  -4.045   0.217
  328    HG2  GLN  43          2HG       GLN  43  14.637  -4.207   2.188
  329    HG3  GLN  43          3HG       GLN  43  14.596  -5.537   1.030
  330   HE21  GLN  43          1HE2      GLN  43  15.668  -7.244   1.681
  331   HE22  GLN  43          2HE2      GLN  43  17.097  -7.250   2.653
  332    H    ARG  44           HN       ARG  44  15.937  -1.240  -1.511
  333    HA   ARG  44           HA       ARG  44  18.579  -0.189  -0.736
  334    HB2  ARG  44          2HB       ARG  44  17.801  -1.094  -3.510
  335    HB3  ARG  44          3HB       ARG  44  19.393  -0.579  -2.968
  336    HG2  ARG  44          2HG       ARG  44  19.595  -2.533  -1.568
  337    HG3  ARG  44          3HG       ARG  44  17.950  -3.028  -1.976
  338    HD2  ARG  44          2HD       ARG  44  18.761  -4.155  -3.709
  339    HD3  ARG  44          3HD       ARG  44  19.289  -2.628  -4.415
  340    HE   ARG  44           HE       ARG  44  21.191  -3.469  -2.530
  341   HH11  ARG  44          1HH1      ARG  44  19.949  -4.352  -5.660
  342   HH12  ARG  44          2HH1      ARG  44  21.430  -5.078  -6.188
  343   HH21  ARG  44          1HH2      ARG  44  23.147  -4.422  -3.214
  344   HH22  ARG  44          2HH2      ARG  44  23.249  -5.118  -4.795
  345    H    GLN  45           HN       GLN  45  15.481   0.417  -2.046
  346    HA   GLN  45           HA       GLN  45  16.312   3.110  -2.900
  347    HB2  GLN  45          2HB       GLN  45  14.430   1.164  -4.002
  348    HB3  GLN  45          3HB       GLN  45  13.733   2.768  -3.824
  349    HG2  GLN  45          2HG       GLN  45  14.660   2.530  -6.025
  350    HG3  GLN  45          3HG       GLN  45  15.608   3.701  -5.110
  351   HE21  GLN  45          1HE2      GLN  45  15.515   0.322  -6.117
  352   HE22  GLN  45          2HE2      GLN  45  17.229   0.104  -6.172
  353    H    GLN  46           HN       GLN  46  14.629   4.819  -2.556
  354    HA   GLN  46           HA       GLN  46  12.989   4.354  -0.173
  355    HB2  GLN  46          2HB       GLN  46  15.256   5.366   0.407
  356    HB3  GLN  46          3HB       GLN  46  14.717   6.807  -0.446
  357    HG2  GLN  46          2HG       GLN  46  12.957   7.168   1.101
  358    HG3  GLN  46          3HG       GLN  46  13.203   5.589   1.844
  359   HE21  GLN  46          1HE2      GLN  46  14.277   8.860   1.644
  360   HE22  GLN  46          2HE2      GLN  46  15.409   8.795   2.948
  361    H    THR  47           HN       THR  47  12.742   4.955  -3.195
  362    HA   THR  47           HA       THR  47  10.726   7.077  -2.875
  363    HB   THR  47           HB       THR  47  11.611   7.097  -5.570
  364    HG1  THR  47          1HG       THR  47  13.688   6.775  -5.405
  365   HG21  THR  47          1HG2      THR  47  10.694   8.918  -3.928
  366   HG22  THR  47          2HG2      THR  47  11.797   9.376  -5.227
  367   HG23  THR  47          3HG2      THR  47  12.402   9.185  -3.582
  368    H    CYS  48           HN       CYS  48   8.848   6.874  -4.104
  369    HA   CYS  48           HA       CYS  48   7.819   4.347  -4.499
  370    HB2  CYS  48          2HB       CYS  48   6.808   6.873  -4.633
  371    HB3  CYS  48          3HB       CYS  48   6.752   6.399  -6.328
  372    HA   PRO  49           HA       PRO  49   9.720   2.892  -8.204
  373    HB2  PRO  49          2HB       PRO  49   7.958   0.910  -8.786
  374    HB3  PRO  49          3HB       PRO  49   9.146   0.788  -7.483
  375    HG2  PRO  49          2HG       PRO  49   6.239   1.489  -7.337
  376    HG3  PRO  49          3HG       PRO  49   7.187   0.424  -6.282
  377    HD2  PRO  49          2HD       PRO  49   6.557   2.968  -5.600
  378    HD3  PRO  49          3HD       PRO  49   8.066   2.186  -5.084
  379    H    THR  50           HN       THR  50   6.971   4.694  -8.071
  380    HA   THR  50           HA       THR  50   6.725   4.714 -11.001
  381    HB   THR  50           HB       THR  50   4.789   3.503  -9.974
  382    HG1  THR  50          1HG       THR  50   4.652   5.746 -11.599
  383   HG21  THR  50          1HG2      THR  50   3.158   4.681  -8.685
  384   HG22  THR  50          2HG2      THR  50   4.010   6.211  -8.898
  385   HG23  THR  50          3HG2      THR  50   4.721   4.934  -7.910
  386    H    CYS  51           HN       CYS  51   5.855   6.457  -8.018
  387    HA   CYS  51           HA       CYS  51   6.098   8.989  -9.481
  388    HB2  CYS  51          2HB       CYS  51   4.772   9.995  -7.807
  389    HB3  CYS  51          3HB       CYS  51   4.029   8.424  -8.089
  390    H    ARG  52           HN       ARG  52   7.969   6.986  -7.664
  391    HA   ARG  52           HA       ARG  52   9.713   7.279  -6.172
  392    HB2  ARG  52          2HB       ARG  52  10.217   9.047  -8.544
  393    HB3  ARG  52          3HB       ARG  52  11.399   8.938  -7.246
  394    HG2  ARG  52          2HG       ARG  52  11.213   6.384  -7.619
  395    HG3  ARG  52          3HG       ARG  52  10.512   6.837  -9.174
  396    HD2  ARG  52          2HD       ARG  52  12.616   8.394  -9.315
  397    HD3  ARG  52          3HD       ARG  52  13.277   7.263  -8.135
  398    HE   ARG  52           HE       ARG  52  12.861   6.793 -10.927
  399   HH11  ARG  52          1HH1      ARG  52  13.012   5.278  -7.795
  400   HH12  ARG  52          2HH1      ARG  52  13.457   3.725  -8.424
  401   HH21  ARG  52          1HH2      ARG  52  13.446   4.755 -11.765
  402   HH22  ARG  52          2HH2      ARG  52  13.704   3.430 -10.682
  403    H    MET  53           HN       MET  53   7.999   8.351  -4.694
  404    HA   MET  53           HA       MET  53   8.987  11.036  -4.000
  405    HB2  MET  53          2HB       MET  53   6.715  11.144  -4.978
  406    HB3  MET  53          3HB       MET  53   6.141  10.055  -3.722
  407    HG2  MET  53          2HG       MET  53   7.072  11.844  -2.097
  408    HG3  MET  53          3HG       MET  53   7.004  12.902  -3.504
  409    HE1  MET  53          1HE       MET  53   4.529  10.427  -1.301
  410    HE2  MET  53          2HE       MET  53   5.481  11.704  -0.545
  411    HE3  MET  53          3HE       MET  53   3.731  11.874  -0.687
  412    H    ASP  54           HN       ASP  54  10.038  10.953  -2.136
  413    HA   ASP  54           HA       ASP  54  10.389   8.965  -0.389
  414    HB2  ASP  54          2HB       ASP  54  11.580  10.975  -0.002
  415    HB3  ASP  54          3HB       ASP  54  10.098  11.908   0.193
  416    H    VAL  55           HN       VAL  55   9.159   7.695   0.819
  417    HA   VAL  55           HA       VAL  55   6.547   8.716   1.728
  418    HB   VAL  55           HB       VAL  55   5.822   6.295   1.722
  419   HG11  VAL  55          1HG1      VAL  55   6.342   6.718  -1.094
  420   HG12  VAL  55          2HG1      VAL  55   4.815   6.765  -0.209
  421   HG13  VAL  55          3HG1      VAL  55   5.832   8.204  -0.293
  422   HG21  VAL  55          1HG2      VAL  55   7.079   4.793   0.200
  423   HG22  VAL  55          2HG2      VAL  55   8.364   5.999   0.123
  424   HG23  VAL  55          3HG2      VAL  55   7.978   5.219   1.656
  425    H    LEU  56           HN       LEU  56   9.384   6.805   2.514
  426    HA   LEU  56           HA       LEU  56   8.434   6.282   5.211
  427    HB2  LEU  56          2HB       LEU  56   9.606   4.450   4.568
  428    HB3  LEU  56          3HB       LEU  56  10.678   5.371   3.515
  429    HG   LEU  56           HG       LEU  56  12.107   5.943   5.294
  430   HD11  LEU  56          1HD1      LEU  56  11.271   6.471   7.276
  431   HD12  LEU  56          2HD1      LEU  56  11.012   4.756   7.596
  432   HD13  LEU  56          3HD1      LEU  56   9.728   5.720   6.867
  433   HD21  LEU  56          1HD2      LEU  56  12.645   3.763   4.706
  434   HD22  LEU  56          2HD2      LEU  56  11.162   3.103   5.394
  435   HD23  LEU  56          3HD2      LEU  56  12.454   3.663   6.456
  Start of MODEL   11
    1    H1   ALA   1           HN       ALA   1  -3.893  -3.804   0.214
    2    HA   ALA   1           HA       ALA   1  -5.743  -2.182  -0.440
    3    HB1  ALA   1          1HB       ALA   1  -5.166  -3.479  -2.972
    4    HB2  ALA   1          2HB       ALA   1  -4.710  -1.878  -2.391
    5    HB3  ALA   1          3HB       ALA   1  -3.725  -3.280  -1.974
    6    H    THR   2           HN       THR   2  -7.502  -2.070  -2.130
    7    HA   THR   2           HA       THR   2  -9.216  -4.459  -1.916
    8    HB   THR   2           HB       THR   2 -10.863  -3.172  -1.153
    9    HG1  THR   2          1HG       THR   2 -11.641  -1.421  -2.467
   10   HG21  THR   2          1HG2      THR   2  -9.189  -0.697  -1.501
   11   HG22  THR   2          2HG2      THR   2  -8.857  -1.882  -0.236
   12   HG23  THR   2          3HG2      THR   2 -10.405  -1.037  -0.270
   13    HA   PRO   3           HA       PRO   3  -9.661  -4.734  -6.273
   14    HB2  PRO   3          2HB       PRO   3 -12.327  -5.108  -6.628
   15    HB3  PRO   3          3HB       PRO   3 -11.266  -6.345  -5.944
   16    HG2  PRO   3          2HG       PRO   3 -13.090  -4.428  -4.545
   17    HG3  PRO   3          3HG       PRO   3 -12.825  -6.153  -4.229
   18    HD2  PRO   3          2HD       PRO   3 -11.673  -4.205  -2.742
   19    HD3  PRO   3          3HD       PRO   3 -10.885  -5.766  -3.046
   20    H    GLU   4           HN       GLU   4 -11.613  -2.337  -4.644
   21    HA   GLU   4           HA       GLU   4 -12.484  -0.992  -7.010
   22    HB2  GLU   4          2HB       GLU   4 -13.810  -0.717  -5.048
   23    HB3  GLU   4          3HB       GLU   4 -12.422  -0.201  -4.101
   24    HG2  GLU   4          2HG       GLU   4 -12.816   1.911  -4.609
   25    HG3  GLU   4          3HG       GLU   4 -12.717   1.548  -6.331
   26    H    GLU   5           HN       GLU   5  -9.960  -0.350  -4.590
   27    HA   GLU   5           HA       GLU   5  -8.969   1.958  -5.954
   28    HB2  GLU   5          2HB       GLU   5  -7.842   0.268  -3.722
   29    HB3  GLU   5          3HB       GLU   5  -7.027   1.692  -4.354
   30    HG2  GLU   5          2HG       GLU   5  -9.736   2.351  -3.738
   31    HG3  GLU   5          3HG       GLU   5  -8.992   1.559  -2.351
   32    H    LEU   6           HN       LEU   6  -8.224  -1.458  -5.966
   33    HA   LEU   6           HA       LEU   6  -5.717  -1.303  -7.263
   34    HB2  LEU   6          2HB       LEU   6  -7.758  -3.427  -6.829
   35    HB3  LEU   6          3HB       LEU   6  -6.487  -3.709  -8.017
   36    HG   LEU   6           HG       LEU   6  -5.924  -2.987  -5.147
   37   HD11  LEU   6          1HD1      LEU   6  -6.055  -5.731  -6.392
   38   HD12  LEU   6          2HD1      LEU   6  -7.200  -5.073  -5.222
   39   HD13  LEU   6          3HD1      LEU   6  -5.524  -5.354  -4.753
   40   HD21  LEU   6          1HD2      LEU   6  -4.065  -2.547  -6.567
   41   HD22  LEU   6          2HD2      LEU   6  -4.265  -4.083  -7.411
   42   HD23  LEU   6          3HD2      LEU   6  -3.734  -4.063  -5.728
   43    H    GLN   7           HN       GLN   7  -9.024  -1.646  -8.476
   44    HA   GLN   7           HA       GLN   7  -8.287  -1.924 -11.206
   45    HB2  GLN   7          2HB       GLN   7 -10.624  -2.184  -9.765
   46    HB3  GLN   7          3HB       GLN   7 -10.917  -0.738 -10.722
   47    HG2  GLN   7          2HG       GLN   7  -9.967  -3.333 -11.902
   48    HG3  GLN   7          3HG       GLN   7 -11.669  -2.895 -11.750
   49   HE21  GLN   7          1HE2      GLN   7 -12.085  -0.569 -12.602
   50   HE22  GLN   7          2HE2      GLN   7 -11.420  -0.240 -14.162
   51    H    ALA   8           HN       ALA   8  -8.482   0.755  -9.089
   52    HA   ALA   8           HA       ALA   8  -8.892   2.740 -11.143
   53    HB1  ALA   8          1HB       ALA   8  -9.682   3.064  -8.822
   54    HB2  ALA   8          2HB       ALA   8  -8.001   3.129  -8.289
   55    HB3  ALA   8          3HB       ALA   8  -8.628   4.363  -9.381
   56    H    MET   9           HN       MET   9  -6.414   0.786 -10.720
   57    HA   MET   9           HA       MET   9  -4.519   2.673 -11.833
   58    HB2  MET   9          2HB       MET   9  -2.747   2.167 -10.235
   59    HB3  MET   9          3HB       MET   9  -4.129   2.883  -9.416
   60    HG2  MET   9          2HG       MET   9  -4.549   1.033  -8.213
   61    HG3  MET   9          3HG       MET   9  -4.112  -0.053  -9.531
   62    HE1  MET   9          1HE       MET   9  -2.014  -1.327  -9.685
   63    HE2  MET   9          2HE       MET   9  -1.281   0.136 -10.344
   64    HE3  MET   9          3HE       MET   9  -0.445  -0.782  -9.091
   65    H    ASP  10           HN       ASP  10  -5.940   0.354 -12.800
   66    HA   ASP  10           HA       ASP  10  -5.572  -1.477 -14.098
   67    HB2  ASP  10          2HB       ASP  10  -2.675  -0.618 -13.917
   68    HB3  ASP  10          3HB       ASP  10  -3.332  -1.777 -15.069
   69    H    ASN  11           HN       ASN  11  -4.879  -1.322 -11.002
   70    HA   ASN  11           HA       ASN  11  -3.971  -2.721  -9.398
   71    HB2  ASN  11          2HB       ASN  11  -5.246  -4.707  -9.227
   72    HB3  ASN  11          3HB       ASN  11  -6.285  -3.564 -10.074
   73   HD21  ASN  11          1HD2      ASN  11  -4.628  -6.548 -10.217
   74   HD22  ASN  11          2HD2      ASN  11  -5.131  -7.012 -11.804
   75    H    VAL  12           HN       VAL  12  -2.117  -2.354 -11.518
   76    HA   VAL  12           HA       VAL  12  -0.850  -5.015 -11.625
   77    HB   VAL  12           HB       VAL  12  -0.942  -2.809 -13.643
   78   HG11  VAL  12          1HG1      VAL  12   0.956  -3.960 -14.824
   79   HG12  VAL  12          2HG1      VAL  12   1.408  -3.057 -13.377
   80   HG13  VAL  12          3HG1      VAL  12   1.278  -4.815 -13.316
   81   HG21  VAL  12          1HG2      VAL  12  -0.792  -5.464 -14.688
   82   HG22  VAL  12          2HG2      VAL  12  -2.003  -5.410 -13.407
   83   HG23  VAL  12          3HG2      VAL  12  -2.122  -4.309 -14.779
   84    H    CYS  13           HN       CYS  13   1.019  -5.226 -10.588
   85    HA   CYS  13           HA       CYS  13   2.177  -3.058  -9.161
   86    HB2  CYS  13          2HB       CYS  13   2.272  -5.333  -8.290
   87    HB3  CYS  13          3HB       CYS  13   3.219  -5.850  -9.681
   88    H    ILE  14           HN       ILE  14   3.409  -1.521  -9.997
   89    HA   ILE  14           HA       ILE  14   4.540  -1.621 -12.578
   90    HB   ILE  14           HB       ILE  14   3.949   0.440 -11.126
   91   HG12  ILE  14          2HG1      ILE  14   4.800   0.691 -13.358
   92   HG13  ILE  14          3HG1      ILE  14   5.691   1.799 -12.321
   93   HG21  ILE  14          1HG2      ILE  14   6.805  -0.003 -10.267
   94   HG22  ILE  14          2HG2      ILE  14   5.822   1.417  -9.914
   95   HG23  ILE  14          3HG2      ILE  14   5.384  -0.150  -9.234
   96   HD11  ILE  14          1HD1      ILE  14   6.609  -0.693 -13.665
   97   HD12  ILE  14          2HD1      ILE  14   7.367   0.898 -13.596
   98   HD13  ILE  14          3HD1      ILE  14   7.403  -0.157 -12.184
   99    H    ILE  15           HN       ILE  15   6.000  -1.943  -9.355
  100    HA   ILE  15           HA       ILE  15   8.628  -2.039  -9.755
  101    HB   ILE  15           HB       ILE  15   7.099  -4.190  -8.287
  102   HG12  ILE  15          2HG1      ILE  15   8.479  -1.896  -6.961
  103   HG13  ILE  15          3HG1      ILE  15   6.919  -1.610  -7.726
  104   HG21  ILE  15          1HG2      ILE  15   9.521  -3.833  -7.019
  105   HG22  ILE  15          2HG2      ILE  15   9.087  -5.176  -8.075
  106   HG23  ILE  15          3HG2      ILE  15   9.939  -3.779  -8.731
  107   HD11  ILE  15          1HD1      ILE  15   7.594  -3.252  -5.343
  108   HD12  ILE  15          2HD1      ILE  15   6.277  -2.104  -5.592
  109   HD13  ILE  15          3HD1      ILE  15   6.203  -3.704  -6.329
  110    H    CYS  16           HN       CYS  16   6.541  -4.846 -10.448
  111    HA   CYS  16           HA       CYS  16   8.666  -5.881 -12.205
  112    HB2  CYS  16          2HB       CYS  16   7.600  -8.099 -11.900
  113    HB3  CYS  16          3HB       CYS  16   8.164  -7.404 -10.384
  114    H    ARG  17           HN       ARG  17   5.804  -4.267 -12.298
  115    HA   ARG  17           HA       ARG  17   4.143  -3.969 -13.835
  116    HB2  ARG  17          2HB       ARG  17   6.564  -4.586 -15.506
  117    HB3  ARG  17          3HB       ARG  17   5.014  -4.232 -16.258
  118    HG2  ARG  17          2HG       ARG  17   5.193  -2.153 -14.564
  119    HG3  ARG  17          3HG       ARG  17   6.904  -2.448 -14.880
  120    HD2  ARG  17          2HD       ARG  17   5.740  -2.625 -17.378
  121    HD3  ARG  17          3HD       ARG  17   4.854  -1.313 -16.602
  122    HE   ARG  17           HE       ARG  17   6.744  -0.020 -16.702
  123   HH11  ARG  17          1HH1      ARG  17   7.587  -3.342 -17.315
  124   HH12  ARG  17          2HH1      ARG  17   9.216  -2.979 -17.783
  125   HH21  ARG  17          1HH2      ARG  17   8.886   0.471 -17.316
  126   HH22  ARG  17          2HH2      ARG  17   9.953  -0.810 -17.782
  127    H    GLU  18           HN       GLU  18   3.370  -6.109 -12.750
  128    HA   GLU  18           HA       GLU  18   2.912  -8.067 -14.904
  129    HB2  GLU  18          2HB       GLU  18   3.472  -8.513 -11.985
  130    HB3  GLU  18          3HB       GLU  18   2.611  -9.716 -12.935
  131    HG2  GLU  18          2HG       GLU  18   5.376  -8.670 -13.499
  132    HG3  GLU  18          3HG       GLU  18   4.980 -10.233 -12.787
  133    H    GLU  19           HN       GLU  19   1.478  -8.315 -11.747
  134    HA   GLU  19           HA       GLU  19  -0.916  -6.897 -12.300
  135    HB2  GLU  19          2HB       GLU  19  -0.806  -9.295 -13.633
  136    HB3  GLU  19          3HB       GLU  19  -1.648  -9.734 -12.154
  137    HG2  GLU  19          2HG       GLU  19  -3.461  -8.417 -12.626
  138    HG3  GLU  19          3HG       GLU  19  -2.536  -7.322 -13.652
  139    H    MET  20           HN       MET  20  -2.411  -6.963 -10.560
  140    HA   MET  20           HA       MET  20  -1.451  -8.370  -8.159
  141    HB2  MET  20          2HB       MET  20  -2.118  -5.479  -8.521
  142    HB3  MET  20          3HB       MET  20  -2.453  -6.239  -6.970
  143    HG2  MET  20          2HG       MET  20  -0.151  -6.807  -6.676
  144    HG3  MET  20          3HG       MET  20   0.238  -6.276  -8.310
  145    HE1  MET  20          1HE       MET  20  -0.608  -4.067  -9.117
  146    HE2  MET  20          2HE       MET  20  -1.520  -3.003  -8.045
  147    HE3  MET  20          3HE       MET  20   0.174  -2.659  -8.398
  148    H    VAL  21           HN       VAL  21  -2.960  -9.893  -7.856
  149    HA   VAL  21           HA       VAL  21  -5.791  -9.161  -8.151
  150    HB   VAL  21           HB       VAL  21  -6.099 -11.712  -7.927
  151   HG11  VAL  21          1HG1      VAL  21  -5.893 -12.003 -10.275
  152   HG12  VAL  21          2HG1      VAL  21  -6.324 -10.313 -10.006
  153   HG13  VAL  21          3HG1      VAL  21  -4.658 -10.749 -10.388
  154   HG21  VAL  21          1HG2      VAL  21  -3.833 -12.186  -7.118
  155   HG22  VAL  21          2HG2      VAL  21  -4.189 -13.063  -8.607
  156   HG23  VAL  21          3HG2      VAL  21  -3.172 -11.623  -8.653
  157    H    THR  22           HN       THR  22  -3.382  -9.926  -5.840
  158    HA   THR  22           HA       THR  22  -4.908  -9.241  -3.624
  159    HB   THR  22           HB       THR  22  -6.236 -11.215  -3.927
  160    HG1  THR  22          1HG       THR  22  -5.987 -12.011  -1.904
  161   HG21  THR  22          1HG2      THR  22  -3.637 -12.436  -4.560
  162   HG22  THR  22          2HG2      THR  22  -5.252 -12.841  -5.141
  163   HG23  THR  22          3HG2      THR  22  -4.703 -13.435  -3.574
  164    H    GLY  23           HN       GLY  23  -3.776  -9.510  -1.606
  165    HA2  GLY  23          1HA       GLY  23  -1.915  -9.881  -0.272
  166    HA3  GLY  23          2HA       GLY  23  -1.176 -10.761  -1.600
  167    H    ALA  24           HN       ALA  24  -2.310  -7.407  -1.183
  168    HA   ALA  24           HA       ALA  24   0.414  -6.444  -1.565
  169    HB1  ALA  24          1HB       ALA  24  -1.166  -4.805  -3.231
  170    HB2  ALA  24          2HB       ALA  24   0.155  -5.879  -3.694
  171    HB3  ALA  24          3HB       ALA  24  -1.504  -6.477  -3.678
  172    H    LYS  25           HN       LYS  25   0.617  -4.119  -1.147
  173    HA   LYS  25           HA       LYS  25  -1.430  -3.212   0.765
  174    HB2  LYS  25          2HB       LYS  25   1.363  -2.121   0.669
  175    HB3  LYS  25          3HB       LYS  25   0.236  -2.157   2.018
  176    HG2  LYS  25          2HG       LYS  25   1.581  -4.581   0.843
  177    HG3  LYS  25          3HG       LYS  25   2.131  -3.715   2.280
  178    HD2  LYS  25          2HD       LYS  25  -0.645  -4.299   2.570
  179    HD3  LYS  25          3HD       LYS  25   0.197  -5.778   2.100
  180    HE2  LYS  25          2HE       LYS  25   1.437  -5.841   4.016
  181    HE3  LYS  25          3HE       LYS  25   1.433  -4.089   4.207
  182    HZ1  LYS  25          1HZ       LYS  25   0.065  -5.493   5.828
  183    HZ2  LYS  25          2HZ       LYS  25  -1.045  -5.650   4.561
  184    HZ3  LYS  25          3HZ       LYS  25  -0.662  -4.117   5.163
  185    H    ARG  26           HN       ARG  26  -1.102  -0.643   1.036
  186    HA   ARG  26           HA       ARG  26  -1.119   0.535  -1.661
  187    HB2  ARG  26          2HB       ARG  26  -3.432   0.225  -0.948
  188    HB3  ARG  26          3HB       ARG  26  -3.101   1.071   0.557
  189    HG2  ARG  26          2HG       ARG  26  -2.720   3.132  -0.627
  190    HG3  ARG  26          3HG       ARG  26  -2.888   2.307  -2.178
  191    HD2  ARG  26          2HD       ARG  26  -4.967   3.313  -1.853
  192    HD3  ARG  26          3HD       ARG  26  -5.222   1.642  -1.348
  193    HE   ARG  26           HE       ARG  26  -5.251   3.999   0.332
  194   HH11  ARG  26          1HH1      ARG  26  -5.048   0.526   0.179
  195   HH12  ARG  26          2HH1      ARG  26  -5.570   0.293   1.815
  196   HH21  ARG  26          1HH2      ARG  26  -5.941   3.704   2.486
  197   HH22  ARG  26          2HH2      ARG  26  -6.079   2.102   3.125
  198    H    LEU  27           HN       LEU  27  -0.029   2.404  -1.871
  199    HA   LEU  27           HA       LEU  27   1.407   3.402   0.444
  200    HB2  LEU  27          2HB       LEU  27   1.553   3.996  -2.499
  201    HB3  LEU  27          3HB       LEU  27   2.475   4.903  -1.302
  202    HG   LEU  27           HG       LEU  27   2.723   1.948  -1.864
  203   HD11  LEU  27          1HD1      LEU  27   3.706   4.027  -3.347
  204   HD12  LEU  27          2HD1      LEU  27   4.393   2.405  -3.276
  205   HD13  LEU  27          3HD1      LEU  27   5.040   3.681  -2.246
  206   HD21  LEU  27          1HD2      LEU  27   4.695   2.111  -0.367
  207   HD22  LEU  27          2HD2      LEU  27   3.160   2.373   0.460
  208   HD23  LEU  27          3HD2      LEU  27   4.190   3.747   0.058
  209    HA   PRO  28           HA       PRO  28  -1.099   6.921   1.228
  210    HB2  PRO  28          2HB       PRO  28   0.768   8.710   2.057
  211    HB3  PRO  28          3HB       PRO  28   0.257   7.331   3.037
  212    HG2  PRO  28          2HG       PRO  28   2.686   7.635   1.315
  213    HG3  PRO  28          3HG       PRO  28   2.546   6.931   2.936
  214    HD2  PRO  28          2HD       PRO  28   2.675   5.415   0.696
  215    HD3  PRO  28          3HD       PRO  28   1.756   4.921   2.132
  216    H    CYS  29           HN       CYS  29   0.892   6.730  -1.387
  217    HA   CYS  29           HA       CYS  29   0.385   9.495  -2.249
  218    HB2  CYS  29          2HB       CYS  29   2.043   8.873  -4.097
  219    HB3  CYS  29          3HB       CYS  29   2.689   9.043  -2.468
  220    H    ASN  30           HN       ASN  30  -1.051   6.587  -2.411
  221    HA   ASN  30           HA       ASN  30  -2.877   5.942  -3.657
  222    HB2  ASN  30          2HB       ASN  30  -2.782   8.512  -4.375
  223    HB3  ASN  30          3HB       ASN  30  -2.280   7.799  -5.906
  224   HD21  ASN  30          1HD2      ASN  30  -4.502   9.142  -6.058
  225   HD22  ASN  30          2HD2      ASN  30  -5.894   8.121  -6.109
  226    H    HIS  31           HN       HIS  31  -0.565   4.551  -3.724
  227    HA   HIS  31           HA       HIS  31  -0.622   3.436  -6.413
  228    HB2  HIS  31          2HB       HIS  31   1.936   4.341  -5.074
  229    HB3  HIS  31          3HB       HIS  31   1.862   3.349  -6.527
  230    HD2  HIS  31          2HD       HIS  31   0.043   4.902  -8.520
  231    HE1  HIS  31          1HE       HIS  31   2.087   8.445  -7.392
  232    HE2  HIS  31          2HE       HIS  31   0.530   7.384  -9.064
  233    H    ILE  32           HN       ILE  32  -0.926   1.327  -6.207
  234    HA   ILE  32           HA       ILE  32  -0.047   0.004  -3.736
  235    HB   ILE  32           HB       ILE  32  -2.157  -0.747  -5.753
  236   HG12  ILE  32          2HG1      ILE  32  -2.896  -0.749  -2.948
  237   HG13  ILE  32          3HG1      ILE  32  -2.224   0.806  -3.427
  238   HG21  ILE  32          1HG2      ILE  32  -0.632  -2.437  -3.943
  239   HG22  ILE  32          2HG2      ILE  32  -2.372  -2.545  -3.681
  240   HG23  ILE  32          3HG2      ILE  32  -1.699  -2.879  -5.275
  241   HD11  ILE  32          1HD1      ILE  32  -4.484   1.064  -3.817
  242   HD12  ILE  32          2HD1      ILE  32  -3.862   0.637  -5.412
  243   HD13  ILE  32          3HD1      ILE  32  -4.671  -0.580  -4.425
  244    H    PHE  33           HN       PHE  33   1.253  -1.781  -3.765
  245    HA   PHE  33           HA       PHE  33   2.025  -2.970  -6.304
  246    HB2  PHE  33          2HB       PHE  33   4.127  -1.839  -4.451
  247    HB3  PHE  33          3HB       PHE  33   4.388  -2.602  -6.015
  248    HD1  PHE  33          1HD       PHE  33   3.609  -1.441  -8.084
  249    HD2  PHE  33          2HD       PHE  33   3.635   0.454  -4.272
  250    HE1  PHE  33          1HE       PHE  33   3.470   0.758  -9.180
  251    HE2  PHE  33          2HE       PHE  33   3.496   2.654  -5.361
  252    HZ   PHE  33           HZ       PHE  33   3.412   2.809  -7.818
  253    H    HIS  34           HN       HIS  34   3.148  -4.981  -6.072
  254    HA   HIS  34           HA       HIS  34   2.161  -6.761  -4.292
  255    HB2  HIS  34          2HB       HIS  34   4.893  -6.720  -5.576
  256    HB3  HIS  34          3HB       HIS  34   4.288  -8.100  -4.664
  257    HD2  HIS  34          2HD       HIS  34   1.270  -8.244  -5.941
  258    HE1  HIS  34          1HE       HIS  34   3.315  -8.544  -9.646
  259    HE2  HIS  34          2HE       HIS  34   1.112  -8.823  -8.457
  260    H    THR  35           HN       THR  35   2.569  -7.480  -2.252
  261    HA   THR  35           HA       THR  35   3.791  -5.693  -0.424
  262    HB   THR  35           HB       THR  35   2.867  -8.547  -0.046
  263    HG1  THR  35          1HG       THR  35   0.982  -7.612   0.073
  264   HG21  THR  35          1HG2      THR  35   2.795  -7.658   2.422
  265   HG22  THR  35          2HG2      THR  35   4.053  -6.565   1.846
  266   HG23  THR  35          3HG2      THR  35   4.290  -8.310   1.752
  267    H    SER  36           HN       SER  36   5.042  -8.186  -2.377
  268    HA   SER  36           HA       SER  36   7.371  -8.613  -0.666
  269    HB2  SER  36          2HB       SER  36   8.007 -10.300  -2.407
  270    HB3  SER  36          3HB       SER  36   6.447 -10.615  -1.648
  271    HG   SER  36           HG       SER  36   5.982 -10.795  -3.743
  272    H    CYS  37           HN       CYS  37   6.463  -7.183  -3.743
  273    HA   CYS  37           HA       CYS  37   9.108  -6.641  -4.634
  274    HB2  CYS  37          2HB       CYS  37   6.433  -5.458  -5.395
  275    HB3  CYS  37          3HB       CYS  37   7.943  -5.028  -6.192
  276    H    LEU  38           HN       LEU  38   6.744  -4.846  -2.742
  277    HA   LEU  38           HA       LEU  38   8.056  -2.356  -2.751
  278    HB2  LEU  38          2HB       LEU  38   6.086  -3.657  -0.907
  279    HB3  LEU  38          3HB       LEU  38   6.775  -2.080  -0.526
  280    HG   LEU  38           HG       LEU  38   5.136  -2.752  -2.970
  281   HD11  LEU  38          1HD1      LEU  38   4.490  -1.216  -0.461
  282   HD12  LEU  38          2HD1      LEU  38   3.740  -2.708  -1.026
  283   HD13  LEU  38          3HD1      LEU  38   3.497  -1.207  -1.919
  284   HD21  LEU  38          1HD2      LEU  38   6.962  -0.608  -2.427
  285   HD22  LEU  38          2HD2      LEU  38   5.320   0.019  -2.564
  286   HD23  LEU  38          3HD2      LEU  38   6.014  -0.929  -3.880
  287    H    ARG  39           HN       ARG  39   7.887  -4.685  -0.050
  288    HA   ARG  39           HA       ARG  39   9.816  -3.567   1.559
  289    HB2  ARG  39          2HB       ARG  39   9.237  -6.511   1.180
  290    HB3  ARG  39          3HB       ARG  39  10.102  -5.813   2.543
  291    HG2  ARG  39          2HG       ARG  39   8.032  -4.471   3.030
  292    HG3  ARG  39          3HG       ARG  39   7.208  -5.454   1.817
  293    HD2  ARG  39          2HD       ARG  39   6.889  -7.064   3.312
  294    HD3  ARG  39          3HD       ARG  39   8.627  -7.182   3.580
  295    HE   ARG  39           HE       ARG  39   8.310  -6.142   5.577
  296   HH11  ARG  39          1HH1      ARG  39   5.660  -5.312   3.476
  297   HH12  ARG  39          2HH1      ARG  39   4.815  -4.404   4.686
  298   HH21  ARG  39          1HH2      ARG  39   7.205  -4.950   7.178
  299   HH22  ARG  39          2HH2      ARG  39   5.695  -4.198   6.791
  300    H    SER  40           HN       SER  40  10.234  -5.651  -1.235
  301    HA   SER  40           HA       SER  40  13.074  -5.951  -0.824
  302    HB2  SER  40          2HB       SER  40  11.205  -6.748  -3.056
  303    HB3  SER  40          3HB       SER  40  12.950  -6.984  -3.159
  304    HG   SER  40           HG       SER  40  12.852  -8.352  -1.407
  305    H    TRP  41           HN       TRP  41  10.968  -3.746  -2.430
  306    HA   TRP  41           HA       TRP  41  12.955  -2.702  -4.231
  307    HB2  TRP  41          2HB       TRP  41  10.645  -2.567  -4.904
  308    HB3  TRP  41          3HB       TRP  41  10.217  -1.704  -3.430
  309    HD1  TRP  41          1HD       TRP  41  11.209   0.867  -3.226
  310    HE1  TRP  41          1HE       TRP  41  11.637   2.601  -5.079
  311    HE3  TRP  41          3HE       TRP  41  11.305  -2.267  -7.265
  312    HZ2  TRP  41          2HZ       TRP  41  11.970   2.636  -7.882
  313    HZ3  TRP  41          3HZ       TRP  41  11.683  -1.303  -9.496
  314    HH2  TRP  41          2HH       TRP  41  12.008   1.097  -9.797
  315    H    PHE  42           HN       PHE  42  11.336  -1.487  -1.300
  316    HA   PHE  42           HA       PHE  42  12.925   0.858  -1.116
  317    HB2  PHE  42          2HB       PHE  42  11.196  -0.578   0.901
  318    HB3  PHE  42          3HB       PHE  42  12.010   0.945   1.241
  319    HD1  PHE  42          1HD       PHE  42  11.567   2.835  -0.556
  320    HD2  PHE  42          2HD       PHE  42   9.030  -0.510   0.151
  321    HE1  PHE  42          1HE       PHE  42   9.676   4.065  -1.538
  322    HE2  PHE  42          2HE       PHE  42   7.136   0.715  -0.830
  323    HZ   PHE  42           HZ       PHE  42   7.457   3.005  -1.677
  324    H    GLN  43           HN       GLN  43  13.548  -2.395  -0.400
  325    HA   GLN  43           HA       GLN  43  15.183  -2.329   1.825
  326    HB2  GLN  43          2HB       GLN  43  14.783  -4.102  -0.448
  327    HB3  GLN  43          3HB       GLN  43  16.448  -4.119   0.118
  328    HG2  GLN  43          2HG       GLN  43  14.664  -4.244   2.353
  329    HG3  GLN  43          3HG       GLN  43  14.250  -5.493   1.180
  330   HE21  GLN  43          1HE2      GLN  43  15.339  -7.321   1.292
  331   HE22  GLN  43          2HE2      GLN  43  16.859  -7.551   2.078
  332    H    ARG  44           HN       ARG  44  15.891  -1.372  -1.477
  333    HA   ARG  44           HA       ARG  44  18.542  -0.451  -0.577
  334    HB2  ARG  44          2HB       ARG  44  17.985  -0.985  -3.463
  335    HB3  ARG  44          3HB       ARG  44  19.509  -1.048  -2.590
  336    HG2  ARG  44          2HG       ARG  44  18.826  -3.123  -1.517
  337    HG3  ARG  44          3HG       ARG  44  17.278  -3.055  -2.361
  338    HD2  ARG  44          2HD       ARG  44  19.740  -2.901  -4.004
  339    HD3  ARG  44          3HD       ARG  44  19.351  -4.457  -3.272
  340    HE   ARG  44           HE       ARG  44  18.104  -3.318  -5.524
  341   HH11  ARG  44          1HH1      ARG  44  17.344  -5.056  -2.605
  342   HH12  ARG  44          2HH1      ARG  44  15.918  -5.791  -3.259
  343   HH21  ARG  44          1HH2      ARG  44  16.229  -4.280  -6.397
  344   HH22  ARG  44          2HH2      ARG  44  15.286  -5.350  -5.416
  345    H    GLN  45           HN       GLN  45  15.548   0.339  -2.079
  346    HA   GLN  45           HA       GLN  45  16.554   3.011  -2.788
  347    HB2  GLN  45          2HB       GLN  45  13.869   2.002  -3.641
  348    HB3  GLN  45          3HB       GLN  45  14.918   3.174  -4.427
  349    HG2  GLN  45          2HG       GLN  45  15.221   0.186  -4.363
  350    HG3  GLN  45          3HG       GLN  45  14.903   1.215  -5.759
  351   HE21  GLN  45          1HE2      GLN  45  16.838   3.223  -4.714
  352   HE22  GLN  45          2HE2      GLN  45  18.394   2.587  -5.107
  353    H    GLN  46           HN       GLN  46  14.658   4.696  -2.639
  354    HA   GLN  46           HA       GLN  46  12.997   4.303  -0.286
  355    HB2  GLN  46          2HB       GLN  46  15.288   5.189   0.430
  356    HB3  GLN  46          3HB       GLN  46  14.844   6.681  -0.388
  357    HG2  GLN  46          2HG       GLN  46  12.669   6.332   1.149
  358    HG3  GLN  46          3HG       GLN  46  13.888   5.556   2.158
  359   HE21  GLN  46          1HE2      GLN  46  12.463   7.926   2.788
  360   HE22  GLN  46          2HE2      GLN  46  13.611   9.209   2.917
  361    H    THR  47           HN       THR  47  12.307   4.584  -2.991
  362    HA   THR  47           HA       THR  47  10.596   6.918  -2.811
  363    HB   THR  47           HB       THR  47  11.551   7.007  -5.473
  364    HG1  THR  47          1HG       THR  47  13.553   6.335  -5.143
  365   HG21  THR  47          1HG2      THR  47  11.790   9.263  -5.046
  366   HG22  THR  47          2HG2      THR  47  12.379   8.998  -3.404
  367   HG23  THR  47          3HG2      THR  47  10.666   8.794  -3.771
  368    H    CYS  48           HN       CYS  48   8.741   6.768  -4.068
  369    HA   CYS  48           HA       CYS  48   7.714   4.257  -4.596
  370    HB2  CYS  48          2HB       CYS  48   6.640   6.708  -4.521
  371    HB3  CYS  48          3HB       CYS  48   6.717   6.505  -6.268
  372    HA   PRO  49           HA       PRO  49   9.684   3.030  -8.354
  373    HB2  PRO  49          2HB       PRO  49   7.986   1.018  -9.018
  374    HB3  PRO  49          3HB       PRO  49   9.182   0.878  -7.724
  375    HG2  PRO  49          2HG       PRO  49   6.254   1.474  -7.541
  376    HG3  PRO  49          3HG       PRO  49   7.240   0.398  -6.536
  377    HD2  PRO  49          2HD       PRO  49   6.529   2.886  -5.740
  378    HD3  PRO  49          3HD       PRO  49   8.065   2.134  -5.263
  379    H    THR  50           HN       THR  50   6.896   4.751  -8.138
  380    HA   THR  50           HA       THR  50   6.620   4.869 -11.063
  381    HB   THR  50           HB       THR  50   4.719   3.592  -9.971
  382    HG1  THR  50          1HG       THR  50   4.710   5.426 -11.885
  383   HG21  THR  50          1HG2      THR  50   4.577   5.090  -7.973
  384   HG22  THR  50          2HG2      THR  50   3.033   4.820  -8.781
  385   HG23  THR  50          3HG2      THR  50   3.900   6.336  -9.020
  386    H    CYS  51           HN       CYS  51   5.902   6.485  -7.982
  387    HA   CYS  51           HA       CYS  51   6.079   9.074  -9.371
  388    HB2  CYS  51          2HB       CYS  51   4.694  10.015  -7.713
  389    HB3  CYS  51          3HB       CYS  51   3.973   8.446  -8.055
  390    H    ARG  52           HN       ARG  52   7.937   7.022  -7.628
  391    HA   ARG  52           HA       ARG  52   9.652   7.251  -6.093
  392    HB2  ARG  52          2HB       ARG  52  10.262   9.436  -8.094
  393    HB3  ARG  52          3HB       ARG  52  11.427   8.714  -6.991
  394    HG2  ARG  52          2HG       ARG  52  11.796   7.654  -9.040
  395    HG3  ARG  52          3HG       ARG  52  10.858   6.494  -8.095
  396    HD2  ARG  52          2HD       ARG  52   8.879   6.976  -9.289
  397    HD3  ARG  52          3HD       ARG  52   9.576   8.426 -10.008
  398    HE   ARG  52           HE       ARG  52  10.962   6.010 -10.711
  399   HH11  ARG  52          1HH1      ARG  52   8.308   8.120 -11.500
  400   HH12  ARG  52          2HH1      ARG  52   8.235   7.622 -13.158
  401   HH21  ARG  52          1HH2      ARG  52  10.876   5.346 -12.891
  402   HH22  ARG  52          2HH2      ARG  52   9.696   6.044 -13.948
  403    H    MET  53           HN       MET  53   7.732   8.251  -4.698
  404    HA   MET  53           HA       MET  53   8.551  10.949  -3.851
  405    HB2  MET  53          2HB       MET  53   5.920   9.497  -3.675
  406    HB3  MET  53          3HB       MET  53   6.262  10.904  -2.677
  407    HG2  MET  53          2HG       MET  53   6.635  12.241  -4.685
  408    HG3  MET  53          3HG       MET  53   6.293  10.832  -5.685
  409    HE1  MET  53          1HE       MET  53   4.140  10.594  -2.616
  410    HE2  MET  53          2HE       MET  53   4.654  12.270  -2.415
  411    HE3  MET  53          3HE       MET  53   2.963  11.900  -2.755
  412    H    ASP  54           HN       ASP  54   9.866  10.901  -2.155
  413    HA   ASP  54           HA       ASP  54  10.635   8.937  -0.528
  414    HB2  ASP  54          2HB       ASP  54  11.630  11.058  -0.201
  415    HB3  ASP  54          3HB       ASP  54  10.086  11.813   0.184
  416    H    VAL  55           HN       VAL  55   9.640   7.459   0.656
  417    HA   VAL  55           HA       VAL  55   7.287   8.238   2.230
  418    HB   VAL  55           HB       VAL  55   6.226   6.046   1.692
  419   HG11  VAL  55          1HG1      VAL  55   5.007   7.209   0.246
  420   HG12  VAL  55          2HG1      VAL  55   6.295   8.413   0.171
  421   HG13  VAL  55          3HG1      VAL  55   6.271   7.075  -0.976
  422   HG21  VAL  55          1HG2      VAL  55   7.017   4.997  -0.486
  423   HG22  VAL  55          2HG2      VAL  55   8.511   5.908  -0.257
  424   HG23  VAL  55          3HG2      VAL  55   8.014   4.712   0.941
  425    H    LEU  56           HN       LEU  56   9.876   5.907   1.665
  426    HA   LEU  56           HA       LEU  56  10.844   4.338   3.028
  427    HB2  LEU  56          2HB       LEU  56  11.375   6.824   3.892
  428    HB3  LEU  56          3HB       LEU  56  10.617   6.166   5.341
  429    HG   LEU  56           HG       LEU  56  12.903   4.757   3.999
  430   HD11  LEU  56          1HD1      LEU  56  14.282   6.408   4.535
  431   HD12  LEU  56          2HD1      LEU  56  13.894   6.114   6.230
  432   HD13  LEU  56          3HD1      LEU  56  12.983   7.314   5.313
  433   HD21  LEU  56          1HD2      LEU  56  11.337   3.777   5.832
  434   HD22  LEU  56          2HD2      LEU  56  12.271   4.805   6.920
  435   HD23  LEU  56          3HD2      LEU  56  13.082   3.562   5.966
  Start of MODEL   12
    1    H1   ALA   1           HN       ALA   1  -4.368  -4.140   0.383
    2    HA   ALA   1           HA       ALA   1  -5.984  -2.316  -0.248
    3    HB1  ALA   1          1HB       ALA   1  -4.206  -2.093  -1.639
    4    HB2  ALA   1          2HB       ALA   1  -4.263  -3.778  -2.162
    5    HB3  ALA   1          3HB       ALA   1  -5.400  -2.608  -2.831
    6    H    THR   2           HN       THR   2  -7.853  -1.775  -1.352
    7    HA   THR   2           HA       THR   2  -9.729  -3.933  -1.728
    8    HB   THR   2           HB       THR   2 -11.034  -1.671  -2.587
    9    HG1  THR   2          1HG       THR   2  -9.368  -0.868  -0.427
   10   HG21  THR   2          1HG2      THR   2 -12.316  -2.598  -1.008
   11   HG22  THR   2          2HG2      THR   2 -11.389  -1.665   0.165
   12   HG23  THR   2          3HG2      THR   2 -10.925  -3.325  -0.206
   13    HA   PRO   3           HA       PRO   3  -9.569  -4.366  -6.092
   14    HB2  PRO   3          2HB       PRO   3 -12.187  -4.701  -6.729
   15    HB3  PRO   3          3HB       PRO   3 -11.235  -5.936  -5.897
   16    HG2  PRO   3          2HG       PRO   3 -13.160  -3.943  -4.762
   17    HG3  PRO   3          3HG       PRO   3 -12.968  -5.662  -4.370
   18    HD2  PRO   3          2HD       PRO   3 -11.945  -3.692  -2.820
   19    HD3  PRO   3          3HD       PRO   3 -11.161  -5.276  -2.992
   20    H    GLU   4           HN       GLU   4 -12.088  -2.118  -4.975
   21    HA   GLU   4           HA       GLU   4 -12.459  -0.766  -7.405
   22    HB2  GLU   4          2HB       GLU   4 -13.943  -0.636  -5.379
   23    HB3  GLU   4          3HB       GLU   4 -12.747   0.423  -4.644
   24    HG2  GLU   4          2HG       GLU   4 -13.958   2.072  -5.525
   25    HG3  GLU   4          3HG       GLU   4 -13.154   1.647  -7.036
   26    H    GLU   5           HN       GLU   5 -10.065  -0.414  -4.882
   27    HA   GLU   5           HA       GLU   5  -9.027   2.061  -5.968
   28    HB2  GLU   5          2HB       GLU   5  -7.730   0.324  -3.873
   29    HB3  GLU   5          3HB       GLU   5  -7.486   2.042  -4.154
   30    HG2  GLU   5          2HG       GLU   5 -10.191   1.034  -3.404
   31    HG3  GLU   5          3HG       GLU   5  -8.952   1.239  -2.168
   32    H    LEU   6           HN       LEU   6  -8.270  -1.356  -6.043
   33    HA   LEU   6           HA       LEU   6  -5.675  -1.076  -7.187
   34    HB2  LEU   6          2HB       LEU   6  -7.573  -3.290  -6.676
   35    HB3  LEU   6          3HB       LEU   6  -6.352  -3.554  -7.920
   36    HG   LEU   6           HG       LEU   6  -5.667  -2.713  -5.111
   37   HD11  LEU   6          1HD1      LEU   6  -5.108  -5.088  -4.722
   38   HD12  LEU   6          2HD1      LEU   6  -5.875  -5.493  -6.257
   39   HD13  LEU   6          3HD1      LEU   6  -6.837  -4.813  -4.944
   40   HD21  LEU   6          1HD2      LEU   6  -4.023  -4.055  -7.253
   41   HD22  LEU   6          2HD2      LEU   6  -3.460  -3.482  -5.683
   42   HD23  LEU   6          3HD2      LEU   6  -3.998  -2.326  -6.903
   43    H    GLN   7           HN       GLN   7  -8.914  -1.565  -8.498
   44    HA   GLN   7           HA       GLN   7  -8.083  -1.936 -11.190
   45    HB2  GLN   7          2HB       GLN   7 -10.548  -1.897  -9.736
   46    HB3  GLN   7          3HB       GLN   7 -10.704  -0.853 -11.143
   47    HG2  GLN   7          2HG       GLN   7  -9.425  -3.194 -12.025
   48    HG3  GLN   7          3HG       GLN   7 -10.756  -3.703 -10.989
   49   HE21  GLN   7          1HE2      GLN   7 -12.791  -2.235 -11.418
   50   HE22  GLN   7          2HE2      GLN   7 -13.236  -2.122 -13.083
   51    H    ALA   8           HN       ALA   8  -8.493   0.830  -9.189
   52    HA   ALA   8           HA       ALA   8  -8.909   2.740 -11.273
   53    HB1  ALA   8          1HB       ALA   8  -8.461   4.414  -9.542
   54    HB2  ALA   8          2HB       ALA   8  -9.617   3.200  -8.991
   55    HB3  ALA   8          3HB       ALA   8  -7.942   3.135  -8.444
   56    H    MET   9           HN       MET   9  -6.286   0.879 -10.524
   57    HA   MET   9           HA       MET   9  -4.491   2.724 -11.916
   58    HB2  MET   9          2HB       MET   9  -2.657   2.224 -10.359
   59    HB3  MET   9          3HB       MET   9  -3.994   3.029  -9.549
   60    HG2  MET   9          2HG       MET   9  -4.448   1.258  -8.241
   61    HG3  MET   9          3HG       MET   9  -4.063   0.091  -9.504
   62    HE1  MET   9          1HE       MET   9  -1.967  -1.170  -9.716
   63    HE2  MET   9          2HE       MET   9  -1.192   0.272 -10.375
   64    HE3  MET   9          3HE       MET   9  -0.388  -0.664  -9.115
   65    H    ASP  10           HN       ASP  10  -5.907   0.398 -12.817
   66    HA   ASP  10           HA       ASP  10  -5.559  -1.458 -14.086
   67    HB2  ASP  10          2HB       ASP  10  -2.657  -0.609 -13.950
   68    HB3  ASP  10          3HB       ASP  10  -3.330  -1.786 -15.075
   69    H    ASN  11           HN       ASN  11  -4.832  -1.249 -10.999
   70    HA   ASN  11           HA       ASN  11  -3.912  -2.623  -9.380
   71    HB2  ASN  11          2HB       ASN  11  -5.192  -4.606  -9.164
   72    HB3  ASN  11          3HB       ASN  11  -6.237  -3.466 -10.006
   73   HD21  ASN  11          1HD2      ASN  11  -4.530  -6.438 -10.176
   74   HD22  ASN  11          2HD2      ASN  11  -5.090  -6.925 -11.736
   75    H    VAL  12           HN       VAL  12  -2.069  -2.300 -11.503
   76    HA   VAL  12           HA       VAL  12  -0.832  -4.975 -11.605
   77    HB   VAL  12           HB       VAL  12  -0.915  -2.771 -13.623
   78   HG11  VAL  12          1HG1      VAL  12   1.290  -4.819 -13.407
   79   HG12  VAL  12          2HG1      VAL  12   1.011  -3.761 -14.791
   80   HG13  VAL  12          3HG1      VAL  12   1.460  -3.072 -13.230
   81   HG21  VAL  12          1HG2      VAL  12  -0.736  -5.412 -14.683
   82   HG22  VAL  12          2HG2      VAL  12  -1.933  -5.399 -13.387
   83   HG23  VAL  12          3HG2      VAL  12  -2.091  -4.285 -14.745
   84    H    CYS  13           HN       CYS  13   1.006  -5.205 -10.524
   85    HA   CYS  13           HA       CYS  13   2.196  -3.063  -9.102
   86    HB2  CYS  13          2HB       CYS  13   2.289  -5.316  -8.219
   87    HB3  CYS  13          3HB       CYS  13   3.173  -5.873  -9.636
   88    H    ILE  14           HN       ILE  14   3.454  -1.534  -9.913
   89    HA   ILE  14           HA       ILE  14   4.596  -1.639 -12.496
   90    HB   ILE  14           HB       ILE  14   3.984   0.427 -11.048
   91   HG12  ILE  14          2HG1      ILE  14   4.835   0.650 -13.291
   92   HG13  ILE  14          3HG1      ILE  14   5.694   1.792 -12.263
   93   HG21  ILE  14          1HG2      ILE  14   5.424  -0.140  -9.156
   94   HG22  ILE  14          2HG2      ILE  14   6.843  -0.006 -10.194
   95   HG23  ILE  14          3HG2      ILE  14   5.863   1.419  -9.851
   96   HD11  ILE  14          1HD1      ILE  14   7.401  -0.227 -12.100
   97   HD12  ILE  14          2HD1      ILE  14   6.680  -0.617 -13.663
   98   HD13  ILE  14          3HD1      ILE  14   7.449   0.949 -13.413
   99    H    ILE  15           HN       ILE  15   6.022  -1.940  -9.255
  100    HA   ILE  15           HA       ILE  15   8.657  -2.031  -9.641
  101    HB   ILE  15           HB       ILE  15   7.128  -4.161  -8.141
  102   HG12  ILE  15          2HG1      ILE  15   8.473  -1.852  -6.820
  103   HG13  ILE  15          3HG1      ILE  15   6.946  -1.553  -7.645
  104   HG21  ILE  15          1HG2      ILE  15   9.994  -3.635  -8.490
  105   HG22  ILE  15          2HG2      ILE  15   9.476  -3.851  -6.819
  106   HG23  ILE  15          3HG2      ILE  15   9.159  -5.113  -8.010
  107   HD11  ILE  15          1HD1      ILE  15   7.504  -3.229  -5.244
  108   HD12  ILE  15          2HD1      ILE  15   6.267  -1.997  -5.496
  109   HD13  ILE  15          3HD1      ILE  15   6.107  -3.578  -6.261
  110    H    CYS  16           HN       CYS  16   6.524  -4.786 -10.382
  111    HA   CYS  16           HA       CYS  16   8.677  -5.884 -12.068
  112    HB2  CYS  16          2HB       CYS  16   7.591  -8.088 -11.747
  113    HB3  CYS  16          3HB       CYS  16   8.134  -7.377 -10.231
  114    H    ARG  17           HN       ARG  17   5.843  -4.234 -12.223
  115    HA   ARG  17           HA       ARG  17   4.196  -3.946 -13.780
  116    HB2  ARG  17          2HB       ARG  17   6.650  -4.568 -15.392
  117    HB3  ARG  17          3HB       ARG  17   5.114  -4.265 -16.194
  118    HG2  ARG  17          2HG       ARG  17   5.211  -2.143 -14.539
  119    HG3  ARG  17          3HG       ARG  17   6.933  -2.408 -14.818
  120    HD2  ARG  17          2HD       ARG  17   5.490  -2.637 -17.287
  121    HD3  ARG  17          3HD       ARG  17   5.090  -1.112 -16.498
  122    HE   ARG  17           HE       ARG  17   7.829  -1.319 -16.369
  123   HH11  ARG  17          1HH1      ARG  17   5.420  -1.250 -18.881
  124   HH12  ARG  17          2HH1      ARG  17   6.470  -0.515 -20.047
  125   HH21  ARG  17          1HH2      ARG  17   9.221  -0.352 -17.896
  126   HH22  ARG  17          2HH2      ARG  17   8.633  -0.006 -19.486
  127    H    GLU  18           HN       GLU  18   3.391  -6.069 -12.691
  128    HA   GLU  18           HA       GLU  18   2.936  -8.033 -14.839
  129    HB2  GLU  18          2HB       GLU  18   3.445  -8.507 -11.907
  130    HB3  GLU  18          3HB       GLU  18   2.670  -9.713 -12.926
  131    HG2  GLU  18          2HG       GLU  18   5.416  -8.553 -13.341
  132    HG3  GLU  18          3HG       GLU  18   5.049 -10.147 -12.684
  133    H    GLU  19           HN       GLU  19   1.514  -8.288 -11.677
  134    HA   GLU  19           HA       GLU  19  -0.885  -6.870 -12.240
  135    HB2  GLU  19          2HB       GLU  19  -0.776  -9.291 -13.526
  136    HB3  GLU  19          3HB       GLU  19  -1.599  -9.709 -12.030
  137    HG2  GLU  19          2HG       GLU  19  -3.464  -8.578 -12.575
  138    HG3  GLU  19          3HG       GLU  19  -2.578  -7.292 -13.392
  139    H    MET  20           HN       MET  20  -2.394  -6.942 -10.496
  140    HA   MET  20           HA       MET  20  -1.414  -8.289  -8.072
  141    HB2  MET  20          2HB       MET  20  -2.095  -5.401  -8.467
  142    HB3  MET  20          3HB       MET  20  -2.371  -6.145  -6.899
  143    HG2  MET  20          2HG       MET  20  -0.034  -6.746  -6.735
  144    HG3  MET  20          3HG       MET  20   0.266  -6.095  -8.345
  145    HE1  MET  20          1HE       MET  20  -0.720  -3.885  -8.953
  146    HE2  MET  20          2HE       MET  20  -1.483  -2.814  -7.777
  147    HE3  MET  20          3HE       MET  20   0.194  -2.548  -8.254
  148    H    VAL  21           HN       VAL  21  -2.926  -9.771  -7.654
  149    HA   VAL  21           HA       VAL  21  -5.756  -9.022  -7.950
  150    HB   VAL  21           HB       VAL  21  -6.065 -11.587  -7.699
  151   HG11  VAL  21          1HG1      VAL  21  -6.624 -10.505  -9.735
  152   HG12  VAL  21          2HG1      VAL  21  -4.927 -10.250 -10.144
  153   HG13  VAL  21          3HG1      VAL  21  -5.604 -11.879 -10.158
  154   HG21  VAL  21          1HG2      VAL  21  -4.286 -12.987  -8.019
  155   HG22  VAL  21          2HG2      VAL  21  -3.356 -11.784  -8.913
  156   HG23  VAL  21          3HG2      VAL  21  -3.480 -11.676  -7.157
  157    H    THR  22           HN       THR  22  -3.318  -9.956  -5.695
  158    HA   THR  22           HA       THR  22  -4.910  -9.282  -3.456
  159    HB   THR  22           HB       THR  22  -5.957 -11.456  -3.869
  160    HG1  THR  22          1HG       THR  22  -6.023 -11.478  -1.761
  161   HG21  THR  22          1HG2      THR  22  -4.826 -13.295  -4.450
  162   HG22  THR  22          2HG2      THR  22  -3.699 -13.112  -3.106
  163   HG23  THR  22          3HG2      THR  22  -3.410 -12.261  -4.624
  164    H    GLY  23           HN       GLY  23  -3.748 -10.112  -1.349
  165    HA2  GLY  23          1HA       GLY  23  -1.856  -9.932  -0.061
  166    HA3  GLY  23          2HA       GLY  23  -1.079 -10.873  -1.325
  167    H    ALA  24           HN       ALA  24  -2.297  -7.536  -0.978
  168    HA   ALA  24           HA       ALA  24   0.369  -6.525  -1.586
  169    HB1  ALA  24          1HB       ALA  24  -0.286  -6.458  -3.775
  170    HB2  ALA  24          2HB       ALA  24  -1.992  -6.243  -3.374
  171    HB3  ALA  24          3HB       ALA  24  -0.874  -4.886  -3.230
  172    H    LYS  25           HN       LYS  25   0.546  -4.183  -1.237
  173    HA   LYS  25           HA       LYS  25  -1.346  -3.291   0.834
  174    HB2  LYS  25          2HB       LYS  25   1.406  -2.151   0.451
  175    HB3  LYS  25          3HB       LYS  25   0.399  -2.134   1.893
  176    HG2  LYS  25          2HG       LYS  25   1.705  -4.578   0.714
  177    HG3  LYS  25          3HG       LYS  25   2.304  -3.660   2.098
  178    HD2  LYS  25          2HD       LYS  25  -0.431  -4.289   2.561
  179    HD3  LYS  25          3HD       LYS  25   0.396  -5.765   2.059
  180    HE2  LYS  25          2HE       LYS  25   1.789  -5.765   3.881
  181    HE3  LYS  25          3HE       LYS  25   1.705  -4.015   4.081
  182    HZ1  LYS  25          1HZ       LYS  25  -0.247  -4.148   5.236
  183    HZ2  LYS  25          2HZ       LYS  25   0.481  -5.592   5.729
  184    HZ3  LYS  25          3HZ       LYS  25  -0.715  -5.613   4.533
  185    H    ARG  26           HN       ARG  26  -0.980  -0.686   1.016
  186    HA   ARG  26           HA       ARG  26  -1.248   0.448  -1.678
  187    HB2  ARG  26          2HB       ARG  26  -3.515   0.041  -0.921
  188    HB3  ARG  26          3HB       ARG  26  -3.185   0.847   0.606
  189    HG2  ARG  26          2HG       ARG  26  -3.069   2.964  -0.417
  190    HG3  ARG  26          3HG       ARG  26  -2.974   2.261  -2.032
  191    HD2  ARG  26          2HD       ARG  26  -5.184   3.085  -1.766
  192    HD3  ARG  26          3HD       ARG  26  -5.274   1.328  -1.651
  193    HE   ARG  26           HE       ARG  26  -4.994   2.314   0.932
  194   HH11  ARG  26          1HH1      ARG  26  -7.295   2.459  -1.677
  195   HH12  ARG  26          2HH1      ARG  26  -8.664   2.646  -0.632
  196   HH21  ARG  26          1HH2      ARG  26  -6.790   2.559   2.317
  197   HH22  ARG  26          2HH2      ARG  26  -8.376   2.703   1.640
  198    H    LEU  27           HN       LEU  27   0.089   2.105  -1.901
  199    HA   LEU  27           HA       LEU  27   1.417   3.275   0.349
  200    HB2  LEU  27          2HB       LEU  27   1.446   4.020  -2.571
  201    HB3  LEU  27          3HB       LEU  27   2.514   4.701  -1.345
  202    HG   LEU  27           HG       LEU  27   2.464   1.852  -2.333
  203   HD11  LEU  27          1HD1      LEU  27   4.790   3.729  -2.407
  204   HD12  LEU  27          2HD1      LEU  27   3.558   3.784  -3.666
  205   HD13  LEU  27          3HD1      LEU  27   4.471   2.301  -3.392
  206   HD21  LEU  27          1HD2      LEU  27   4.070   3.124  -0.120
  207   HD22  LEU  27          2HD2      LEU  27   4.418   1.547  -0.832
  208   HD23  LEU  27          3HD2      LEU  27   2.901   1.811   0.029
  209    HA   PRO  28           HA       PRO  28  -1.168   6.727   1.173
  210    HB2  PRO  28          2HB       PRO  28   0.667   8.579   1.930
  211    HB3  PRO  28          3HB       PRO  28   0.227   7.195   2.938
  212    HG2  PRO  28          2HG       PRO  28   2.595   7.554   1.142
  213    HG3  PRO  28          3HG       PRO  28   2.522   6.862   2.773
  214    HD2  PRO  28          2HD       PRO  28   2.633   5.328   0.545
  215    HD3  PRO  28          3HD       PRO  28   1.771   4.822   2.011
  216    H    CYS  29           HN       CYS  29   0.742   6.565  -1.500
  217    HA   CYS  29           HA       CYS  29   0.116   9.302  -2.374
  218    HB2  CYS  29          2HB       CYS  29   1.758   8.716  -4.256
  219    HB3  CYS  29          3HB       CYS  29   2.429   8.956  -2.647
  220    H    ASN  30           HN       ASN  30  -1.301   6.428  -2.425
  221    HA   ASN  30           HA       ASN  30  -3.122   5.714  -3.634
  222    HB2  ASN  30          2HB       ASN  30  -4.134   7.169  -5.020
  223    HB3  ASN  30          3HB       ASN  30  -2.838   8.284  -4.593
  224   HD21  ASN  30          1HD2      ASN  30  -4.472   7.722  -7.087
  225   HD22  ASN  30          2HD2      ASN  30  -3.287   7.604  -8.340
  226    H    HIS  31           HN       HIS  31  -0.118   5.105  -4.011
  227    HA   HIS  31           HA       HIS  31  -0.369   3.653  -6.561
  228    HB2  HIS  31          2HB       HIS  31   2.079   4.650  -5.101
  229    HB3  HIS  31          3HB       HIS  31   2.152   3.553  -6.476
  230    HD2  HIS  31          2HD       HIS  31   0.559   4.856  -8.764
  231    HE1  HIS  31          1HE       HIS  31   2.220   8.603  -7.666
  232    HE2  HIS  31          2HE       HIS  31   0.957   7.324  -9.431
  233    H    ILE  32           HN       ILE  32  -0.967   1.618  -6.201
  234    HA   ILE  32           HA       ILE  32  -0.072   0.246  -3.781
  235    HB   ILE  32           HB       ILE  32  -2.159  -0.416  -5.846
  236   HG12  ILE  32          2HG1      ILE  32  -2.905  -0.559  -3.046
  237   HG13  ILE  32          3HG1      ILE  32  -2.213   1.010  -3.442
  238   HG21  ILE  32          1HG2      ILE  32  -0.721  -2.208  -4.013
  239   HG22  ILE  32          2HG2      ILE  32  -2.478  -2.348  -3.979
  240   HG23  ILE  32          3HG2      ILE  32  -1.605  -2.569  -5.496
  241   HD11  ILE  32          1HD1      ILE  32  -4.791  -0.125  -4.140
  242   HD12  ILE  32          2HD1      ILE  32  -4.260   1.556  -4.107
  243   HD13  ILE  32          3HD1      ILE  32  -3.939   0.558  -5.524
  244    H    PHE  33           HN       PHE  33   1.146  -1.613  -3.785
  245    HA   PHE  33           HA       PHE  33   2.000  -2.777  -6.305
  246    HB2  PHE  33          2HB       PHE  33   4.039  -1.689  -4.356
  247    HB3  PHE  33          3HB       PHE  33   4.368  -2.489  -5.890
  248    HD1  PHE  33          1HD       PHE  33   3.823   0.617  -4.254
  249    HD2  PHE  33          2HD       PHE  33   3.499  -1.352  -8.014
  250    HE1  PHE  33          1HE       PHE  33   3.796   2.798  -5.391
  251    HE2  PHE  33          2HE       PHE  33   3.473   0.827  -9.157
  252    HZ   PHE  33           HZ       PHE  33   3.622   2.906  -7.845
  253    H    HIS  34           HN       HIS  34   3.325  -4.743  -5.969
  254    HA   HIS  34           HA       HIS  34   2.139  -6.530  -4.224
  255    HB2  HIS  34          2HB       HIS  34   4.810  -6.570  -5.613
  256    HB3  HIS  34          3HB       HIS  34   4.273  -7.911  -4.606
  257    HD2  HIS  34          2HD       HIS  34   1.156  -8.037  -5.706
  258    HE1  HIS  34          1HE       HIS  34   3.008  -8.632  -9.476
  259    HE2  HIS  34          2HE       HIS  34   0.858  -8.767  -8.169
  260    H    THR  35           HN       THR  35   2.550  -7.272  -2.192
  261    HA   THR  35           HA       THR  35   3.889  -5.534  -0.389
  262    HB   THR  35           HB       THR  35   2.918  -8.354   0.110
  263    HG1  THR  35          1HG       THR  35   1.030  -7.285   0.863
  264   HG21  THR  35          1HG2      THR  35   4.475  -7.528   1.819
  265   HG22  THR  35          2HG2      THR  35   2.837  -7.674   2.457
  266   HG23  THR  35          3HG2      THR  35   3.478  -6.088   2.029
  267    H    SER  36           HN       SER  36   4.943  -8.143  -2.320
  268    HA   SER  36           HA       SER  36   7.274  -8.678  -0.641
  269    HB2  SER  36          2HB       SER  36   6.034 -10.027  -3.011
  270    HB3  SER  36          3HB       SER  36   7.733 -10.321  -2.642
  271    HG   SER  36           HG       SER  36   5.765 -10.548  -0.638
  272    H    CYS  37           HN       CYS  37   6.348  -6.954  -3.483
  273    HA   CYS  37           HA       CYS  37   9.039  -6.687  -4.505
  274    HB2  CYS  37          2HB       CYS  37   6.413  -5.417  -5.293
  275    HB3  CYS  37          3HB       CYS  37   7.938  -5.062  -6.096
  276    H    LEU  38           HN       LEU  38   6.812  -4.843  -2.534
  277    HA   LEU  38           HA       LEU  38   8.264  -2.394  -2.623
  278    HB2  LEU  38          2HB       LEU  38   6.088  -3.501  -0.897
  279    HB3  LEU  38          3HB       LEU  38   6.899  -2.003  -0.443
  280    HG   LEU  38           HG       LEU  38   5.323  -2.500  -2.967
  281   HD11  LEU  38          1HD1      LEU  38   3.760  -2.196  -1.277
  282   HD12  LEU  38          2HD1      LEU  38   3.983  -0.567  -1.914
  283   HD13  LEU  38          3HD1      LEU  38   4.774  -1.040  -0.411
  284   HD21  LEU  38          1HD2      LEU  38   6.442  -0.815  -3.877
  285   HD22  LEU  38          2HD2      LEU  38   7.394  -0.606  -2.407
  286   HD23  LEU  38          3HD2      LEU  38   5.854   0.237  -2.589
  287    H    ARG  39           HN       ARG  39   8.244  -5.179  -0.460
  288    HA   ARG  39           HA       ARG  39   9.853  -4.111   1.576
  289    HB2  ARG  39          2HB       ARG  39  10.361  -6.507   2.109
  290    HB3  ARG  39          3HB       ARG  39   8.647  -6.138   1.980
  291    HG2  ARG  39          2HG       ARG  39   8.666  -7.043  -0.321
  292    HG3  ARG  39          3HG       ARG  39  10.354  -7.501  -0.089
  293    HD2  ARG  39          2HD       ARG  39   9.521  -8.773   1.975
  294    HD3  ARG  39          3HD       ARG  39   7.911  -8.570   1.286
  295    HE   ARG  39           HE       ARG  39   8.407 -10.199  -0.233
  296   HH11  ARG  39          1HH1      ARG  39  11.375  -8.992   1.127
  297   HH12  ARG  39          2HH1      ARG  39  12.369 -10.177   0.345
  298   HH21  ARG  39          1HH2      ARG  39   9.704 -11.765  -1.268
  299   HH22  ARG  39          2HH2      ARG  39  11.416 -11.754  -1.018
  300    H    SER  40           HN       SER  40  10.732  -6.062  -1.268
  301    HA   SER  40           HA       SER  40  13.546  -5.835  -0.731
  302    HB2  SER  40          2HB       SER  40  12.493  -7.796  -1.896
  303    HB3  SER  40          3HB       SER  40  12.209  -6.749  -3.287
  304    HG   SER  40           HG       SER  40  14.148  -7.349  -3.835
  305    H    TRP  41           HN       TRP  41  11.200  -3.927  -2.315
  306    HA   TRP  41           HA       TRP  41  13.037  -2.600  -4.101
  307    HB2  TRP  41          2HB       TRP  41  10.768  -2.762  -4.842
  308    HB3  TRP  41          3HB       TRP  41  10.164  -2.067  -3.340
  309    HD1  TRP  41          1HD       TRP  41  10.009   0.535  -3.190
  310    HE1  TRP  41          1HE       TRP  41  10.459   2.450  -4.851
  311    HE3  TRP  41          3HE       TRP  41  12.394  -2.112  -6.856
  312    HZ2  TRP  41          2HZ       TRP  41  11.665   2.793  -7.380
  313    HZ3  TRP  41          3HZ       TRP  41  13.164  -0.917  -8.864
  314    HH2  TRP  41          2HH       TRP  41  12.806   1.485  -9.118
  315    H    PHE  42           HN       PHE  42  11.489  -1.923  -1.002
  316    HA   PHE  42           HA       PHE  42  12.475   0.740  -0.786
  317    HB2  PHE  42          2HB       PHE  42  11.319  -1.198   1.214
  318    HB3  PHE  42          3HB       PHE  42  11.868   0.410   1.675
  319    HD1  PHE  42          1HD       PHE  42  10.980   2.069  -0.536
  320    HD2  PHE  42          2HD       PHE  42   9.020  -1.185   1.384
  321    HE1  PHE  42          1HE       PHE  42   8.800   3.002  -1.189
  322    HE2  PHE  42          2HE       PHE  42   6.836  -0.258   0.733
  323    HZ   PHE  42           HZ       PHE  42   6.723   1.838  -0.556
  324    H    GLN  43           HN       GLN  43  13.980  -2.245  -0.551
  325    HA   GLN  43           HA       GLN  43  15.834  -1.759   1.535
  326    HB2  GLN  43          2HB       GLN  43  15.719  -3.672  -0.770
  327    HB3  GLN  43          3HB       GLN  43  17.183  -3.547   0.196
  328    HG2  GLN  43          2HG       GLN  43  15.292  -3.792   2.127
  329    HG3  GLN  43          3HG       GLN  43  14.600  -4.766   0.832
  330   HE21  GLN  43          1HE2      GLN  43  15.039  -6.318   2.725
  331   HE22  GLN  43          2HE2      GLN  43  16.542  -7.166   2.655
  332    H    ARG  44           HN       ARG  44  15.830  -1.069  -1.911
  333    HA   ARG  44           HA       ARG  44  18.314   0.468  -1.532
  334    HB2  ARG  44          2HB       ARG  44  17.540  -0.967  -4.073
  335    HB3  ARG  44          3HB       ARG  44  19.052  -0.133  -3.742
  336    HG2  ARG  44          2HG       ARG  44  19.861  -1.827  -2.429
  337    HG3  ARG  44          3HG       ARG  44  18.251  -2.403  -1.991
  338    HD2  ARG  44          2HD       ARG  44  19.478  -2.654  -4.734
  339    HD3  ARG  44          3HD       ARG  44  19.480  -3.929  -3.516
  340    HE   ARG  44           HE       ARG  44  16.862  -3.319  -3.747
  341   HH11  ARG  44          1HH1      ARG  44  19.334  -4.101  -6.070
  342   HH12  ARG  44          2HH1      ARG  44  18.234  -4.831  -7.191
  343   HH21  ARG  44          1HH2      ARG  44  15.402  -4.277  -5.215
  344   HH22  ARG  44          2HH2      ARG  44  15.998  -4.930  -6.704
  345    H    GLN  45           HN       GLN  45  15.072   0.489  -2.394
  346    HA   GLN  45           HA       GLN  45  15.367   3.163  -3.577
  347    HB2  GLN  45          2HB       GLN  45  13.746   0.852  -4.588
  348    HB3  GLN  45          3HB       GLN  45  13.221   2.501  -4.902
  349    HG2  GLN  45          2HG       GLN  45  14.444   1.830  -6.791
  350    HG3  GLN  45          3HG       GLN  45  15.498   2.917  -5.888
  351   HE21  GLN  45          1HE2      GLN  45  17.490   2.227  -6.258
  352   HE22  GLN  45          2HE2      GLN  45  18.047   0.603  -6.063
  353    H    GLN  46           HN       GLN  46  14.854   4.142  -1.619
  354    HA   GLN  46           HA       GLN  46  12.475   3.426  -0.171
  355    HB2  GLN  46          2HB       GLN  46  13.156   4.941   1.437
  356    HB3  GLN  46          3HB       GLN  46  14.693   4.485   0.714
  357    HG2  GLN  46          2HG       GLN  46  13.956   6.608  -0.828
  358    HG3  GLN  46          3HG       GLN  46  13.323   7.062   0.753
  359   HE21  GLN  46          1HE2      GLN  46  14.827   8.747   0.895
  360   HE22  GLN  46          2HE2      GLN  46  16.490   8.450   1.254
  361    H    THR  47           HN       THR  47  12.650   4.690  -3.056
  362    HA   THR  47           HA       THR  47  10.507   6.663  -2.598
  363    HB   THR  47           HB       THR  47  11.614   6.986  -5.207
  364    HG1  THR  47          1HG       THR  47  13.763   7.491  -4.645
  365   HG21  THR  47          1HG2      THR  47  11.662   9.215  -4.624
  366   HG22  THR  47          2HG2      THR  47  12.156   8.882  -2.965
  367   HG23  THR  47          3HG2      THR  47  10.488   8.596  -3.463
  368    H    CYS  48           HN       CYS  48   8.657   6.519  -3.801
  369    HA   CYS  48           HA       CYS  48   7.645   4.140  -4.611
  370    HB2  CYS  48          2HB       CYS  48   6.664   6.645  -4.561
  371    HB3  CYS  48          3HB       CYS  48   6.843   6.444  -6.302
  372    HA   PRO  49           HA       PRO  49   9.865   2.953  -8.237
  373    HB2  PRO  49          2HB       PRO  49   8.158   1.028  -9.102
  374    HB3  PRO  49          3HB       PRO  49   9.238   0.804  -7.721
  375    HG2  PRO  49          2HG       PRO  49   6.327   1.506  -7.755
  376    HG3  PRO  49          3HG       PRO  49   7.190   0.362  -6.710
  377    HD2  PRO  49          2HD       PRO  49   6.505   2.851  -5.893
  378    HD3  PRO  49          3HD       PRO  49   7.969   2.027  -5.319
  379    H    THR  50           HN       THR  50   7.115   4.756  -8.190
  380    HA   THR  50           HA       THR  50   7.130   5.029 -11.113
  381    HB   THR  50           HB       THR  50   5.111   3.692 -10.139
  382    HG1  THR  50          1HG       THR  50   5.016   5.839 -11.984
  383   HG21  THR  50          1HG2      THR  50   4.271   6.535  -9.556
  384   HG22  THR  50          2HG2      THR  50   4.568   5.276  -8.355
  385   HG23  THR  50          3HG2      THR  50   3.225   5.117  -9.488
  386    H    CYS  51           HN       CYS  51   6.034   6.440  -8.039
  387    HA   CYS  51           HA       CYS  51   6.236   9.112  -9.238
  388    HB2  CYS  51          2HB       CYS  51   4.696   9.869  -7.691
  389    HB3  CYS  51          3HB       CYS  51   4.163   8.204  -7.901
  390    H    ARG  52           HN       ARG  52   8.123   7.012  -7.580
  391    HA   ARG  52           HA       ARG  52   9.786   7.207  -5.979
  392    HB2  ARG  52          2HB       ARG  52  10.568   9.607  -7.617
  393    HB3  ARG  52          3HB       ARG  52  11.610   8.412  -6.856
  394    HG2  ARG  52          2HG       ARG  52   9.941   7.047  -8.689
  395    HG3  ARG  52          3HG       ARG  52  10.601   8.466  -9.506
  396    HD2  ARG  52          2HD       ARG  52  12.800   7.774  -9.198
  397    HD3  ARG  52          3HD       ARG  52  12.371   6.677  -7.885
  398    HE   ARG  52           HE       ARG  52  11.119   5.806 -10.239
  399   HH11  ARG  52          1HH1      ARG  52  14.299   6.085  -8.847
  400   HH12  ARG  52          2HH1      ARG  52  14.946   4.741  -9.730
  401   HH21  ARG  52          1HH2      ARG  52  11.959   4.036 -11.408
  402   HH22  ARG  52          2HH2      ARG  52  13.614   3.577 -11.187
  403    H    MET  53           HN       MET  53   7.958   8.033  -4.476
  404    HA   MET  53           HA       MET  53   8.721  10.708  -3.500
  405    HB2  MET  53          2HB       MET  53   6.440  10.705  -4.394
  406    HB3  MET  53          3HB       MET  53   6.015   9.369  -3.333
  407    HG2  MET  53          2HG       MET  53   5.756  10.695  -1.545
  408    HG3  MET  53          3HG       MET  53   7.123  11.719  -1.976
  409    HE1  MET  53          1HE       MET  53   3.563  11.087  -1.797
  410    HE2  MET  53          2HE       MET  53   2.742  12.429  -2.596
  411    HE3  MET  53          3HE       MET  53   3.306  11.049  -3.542
  412    H    ASP  54           HN       ASP  54   9.800  10.600  -1.655
  413    HA   ASP  54           HA       ASP  54  10.439   8.503  -0.117
  414    HB2  ASP  54          2HB       ASP  54  11.359  10.668   0.370
  415    HB3  ASP  54          3HB       ASP  54   9.780  11.295   0.833
  416    H    VAL  55           HN       VAL  55   9.364   6.972   0.919
  417    HA   VAL  55           HA       VAL  55   6.782   7.649   2.166
  418    HB   VAL  55           HB       VAL  55   6.075   5.277   1.630
  419   HG11  VAL  55          1HG1      VAL  55   5.832   7.625   0.195
  420   HG12  VAL  55          2HG1      VAL  55   6.312   6.438  -1.020
  421   HG13  VAL  55          3HG1      VAL  55   4.878   6.159  -0.031
  422   HG21  VAL  55          1HG2      VAL  55   7.957   4.106   1.008
  423   HG22  VAL  55          2HG2      VAL  55   7.265   4.496  -0.567
  424   HG23  VAL  55          3HG2      VAL  55   8.611   5.445   0.065
  425    H    LEU  56           HN       LEU  56   9.417   5.258   2.073
  426    HA   LEU  56           HA       LEU  56  10.111   3.761   3.687
  427    HB2  LEU  56          2HB       LEU  56  10.745   6.421   4.256
  428    HB3  LEU  56          3HB       LEU  56  10.238   5.729   5.795
  429    HG   LEU  56           HG       LEU  56  12.481   4.756   4.027
  430   HD11  LEU  56          1HD1      LEU  56  12.310   6.402   6.490
  431   HD12  LEU  56          2HD1      LEU  56  13.428   6.506   5.130
  432   HD13  LEU  56          3HD1      LEU  56  13.641   5.254   6.354
  433   HD21  LEU  56          1HD2      LEU  56  12.291   3.614   6.690
  434   HD22  LEU  56          2HD2      LEU  56  12.529   2.821   5.133
  435   HD23  LEU  56          3HD2      LEU  56  10.899   3.212   5.684
  Start of MODEL   13
    1    H1   ALA   1           HN       ALA   1  -4.683  -4.194   0.176
    2    HA   ALA   1           HA       ALA   1  -6.171  -2.206  -0.406
    3    HB1  ALA   1          1HB       ALA   1  -5.637  -2.412  -2.917
    4    HB2  ALA   1          2HB       ALA   1  -4.297  -2.356  -1.773
    5    HB3  ALA   1          3HB       ALA   1  -4.802  -3.898  -2.464
    6    H    THR   2           HN       THR   2  -8.079  -1.565  -1.293
    7    HA   THR   2           HA       THR   2 -10.132  -3.529  -1.584
    8    HB   THR   2           HB       THR   2 -11.588  -1.592  -2.176
    9    HG1  THR   2          1HG       THR   2 -10.733   0.400  -2.387
   10   HG21  THR   2          1HG2      THR   2 -11.774  -0.882   0.001
   11   HG22  THR   2          2HG2      THR   2 -10.030  -0.744   0.220
   12   HG23  THR   2          3HG2      THR   2 -10.797  -2.332   0.230
   13    HA   PRO   3           HA       PRO   3 -10.003  -4.310  -5.907
   14    HB2  PRO   3          2HB       PRO   3 -12.632  -4.769  -6.408
   15    HB3  PRO   3          3HB       PRO   3 -11.606  -5.913  -5.533
   16    HG2  PRO   3          2HG       PRO   3 -13.551  -3.906  -4.459
   17    HG3  PRO   3          3HG       PRO   3 -13.285  -5.586  -3.958
   18    HD2  PRO   3          2HD       PRO   3 -12.268  -3.481  -2.593
   19    HD3  PRO   3          3HD       PRO   3 -11.440  -5.048  -2.687
   20    H    GLU   4           HN       GLU   4 -12.145  -1.829  -4.674
   21    HA   GLU   4           HA       GLU   4 -12.805  -0.727  -7.231
   22    HB2  GLU   4          2HB       GLU   4 -14.103  -0.506  -5.012
   23    HB3  GLU   4          3HB       GLU   4 -12.955   0.769  -4.628
   24    HG2  GLU   4          2HG       GLU   4 -13.728   1.543  -7.089
   25    HG3  GLU   4          3HG       GLU   4 -15.196   0.747  -6.527
   26    H    GLU   5           HN       GLU   5 -10.177  -0.404  -5.022
   27    HA   GLU   5           HA       GLU   5  -9.250   2.081  -6.230
   28    HB2  GLU   5          2HB       GLU   5  -8.294   0.411  -3.916
   29    HB3  GLU   5          3HB       GLU   5  -7.318   1.717  -4.574
   30    HG2  GLU   5          2HG       GLU   5 -10.120   2.049  -3.531
   31    HG3  GLU   5          3HG       GLU   5  -8.658   2.354  -2.594
   32    H    LEU   6           HN       LEU   6  -8.367  -1.327  -6.035
   33    HA   LEU   6           HA       LEU   6  -5.888  -1.154  -7.352
   34    HB2  LEU   6          2HB       LEU   6  -7.851  -3.314  -6.794
   35    HB3  LEU   6          3HB       LEU   6  -6.604  -3.621  -8.001
   36    HG   LEU   6           HG       LEU   6  -6.005  -2.763  -5.176
   37   HD11  LEU   6          1HD1      LEU   6  -5.560  -5.057  -4.650
   38   HD12  LEU   6          2HD1      LEU   6  -5.934  -5.557  -6.299
   39   HD13  LEU   6          3HD1      LEU   6  -7.212  -4.932  -5.256
   40   HD21  LEU   6          1HD2      LEU   6  -4.095  -4.296  -6.817
   41   HD22  LEU   6          2HD2      LEU   6  -3.818  -2.963  -5.696
   42   HD23  LEU   6          3HD2      LEU   6  -4.400  -2.636  -7.329
   43    H    GLN   7           HN       GLN   7  -9.163  -1.734  -8.578
   44    HA   GLN   7           HA       GLN   7  -8.364  -2.060 -11.288
   45    HB2  GLN   7          2HB       GLN   7 -10.724  -2.376  -9.833
   46    HB3  GLN   7          3HB       GLN   7 -11.078  -1.088 -10.977
   47    HG2  GLN   7          2HG       GLN   7  -9.684  -3.277 -12.244
   48    HG3  GLN   7          3HG       GLN   7 -11.162  -3.817 -11.451
   49   HE21  GLN   7          1HE2      GLN   7 -13.124  -2.531 -11.939
   50   HE22  GLN   7          2HE2      GLN   7 -13.320  -1.938 -13.549
   51    H    ALA   8           HN       ALA   8  -8.646   0.652  -9.282
   52    HA   ALA   8           HA       ALA   8  -9.155   2.511 -11.469
   53    HB1  ALA   8          1HB       ALA   8  -9.406   4.190  -9.839
   54    HB2  ALA   8          2HB       ALA   8 -10.162   2.752  -9.152
   55    HB3  ALA   8          3HB       ALA   8  -8.555   3.243  -8.617
   56    H    MET   9           HN       MET   9  -6.583   0.824 -10.756
   57    HA   MET   9           HA       MET   9  -4.752   2.912 -11.622
   58    HB2  MET   9          2HB       MET   9  -3.082   2.321  -9.892
   59    HB3  MET   9          3HB       MET   9  -4.535   3.041  -9.213
   60    HG2  MET   9          2HG       MET   9  -5.053   1.205  -8.049
   61    HG3  MET   9          3HG       MET   9  -4.605   0.123  -9.366
   62    HE1  MET   9          1HE       MET   9  -1.233  -1.042  -8.783
   63    HE2  MET   9          2HE       MET   9  -2.558  -0.735  -9.905
   64    HE3  MET   9          3HE       MET   9  -1.246   0.434  -9.747
   65    H    ASP  10           HN       ASP  10  -5.965   0.396 -12.667
   66    HA   ASP  10           HA       ASP  10  -5.300  -1.220 -14.135
   67    HB2  ASP  10          2HB       ASP  10  -3.327   0.519 -14.424
   68    HB3  ASP  10          3HB       ASP  10  -2.401  -0.732 -13.601
   69    H    ASN  11           HN       ASN  11  -4.686  -1.131 -10.911
   70    HA   ASN  11           HA       ASN  11  -3.910  -2.633  -9.342
   71    HB2  ASN  11          2HB       ASN  11  -5.303  -4.509  -9.233
   72    HB3  ASN  11          3HB       ASN  11  -6.240  -3.372 -10.197
   73   HD21  ASN  11          1HD2      ASN  11  -4.732  -6.418 -10.087
   74   HD22  ASN  11          2HD2      ASN  11  -5.093  -6.916 -11.701
   75    H    VAL  12           HN       VAL  12  -2.007  -2.261 -11.434
   76    HA   VAL  12           HA       VAL  12  -0.800  -4.950 -11.541
   77    HB   VAL  12           HB       VAL  12  -0.875  -2.776 -13.593
   78   HG11  VAL  12          1HG1      VAL  12   1.374  -2.912 -13.751
   79   HG12  VAL  12          2HG1      VAL  12   1.445  -4.477 -12.939
   80   HG13  VAL  12          3HG1      VAL  12   1.004  -4.386 -14.644
   81   HG21  VAL  12          1HG2      VAL  12  -0.744  -5.442 -14.604
   82   HG22  VAL  12          2HG2      VAL  12  -1.942  -5.374 -13.311
   83   HG23  VAL  12          3HG2      VAL  12  -2.074  -4.287 -14.693
   84    H    CYS  13           HN       CYS  13   1.080  -5.178 -10.525
   85    HA   CYS  13           HA       CYS  13   2.275  -3.018  -9.119
   86    HB2  CYS  13          2HB       CYS  13   2.350  -5.305  -8.257
   87    HB3  CYS  13          3HB       CYS  13   3.305  -5.814  -9.646
   88    H    ILE  14           HN       ILE  14   3.535  -1.503  -9.952
   89    HA   ILE  14           HA       ILE  14   4.643  -1.632 -12.549
   90    HB   ILE  14           HB       ILE  14   4.059   0.443 -11.081
   91   HG12  ILE  14          2HG1      ILE  14   4.790   0.702 -13.343
   92   HG13  ILE  14          3HG1      ILE  14   5.765   1.792 -12.363
   93   HG21  ILE  14          1HG2      ILE  14   6.948   0.003 -10.338
   94   HG22  ILE  14          2HG2      ILE  14   6.003   1.448  -9.987
   95   HG23  ILE  14          3HG2      ILE  14   5.569  -0.092  -9.244
   96   HD11  ILE  14          1HD1      ILE  14   7.344   0.862 -13.733
   97   HD12  ILE  14          2HD1      ILE  14   7.440  -0.206 -12.331
   98   HD13  ILE  14          3HD1      ILE  14   6.549  -0.711 -13.767
   99    H    ILE  15           HN       ILE  15   6.102  -1.916  -9.323
  100    HA   ILE  15           HA       ILE  15   8.731  -2.012  -9.718
  101    HB   ILE  15           HB       ILE  15   7.169  -4.116  -8.219
  102   HG12  ILE  15          2HG1      ILE  15   8.678  -1.929  -6.881
  103   HG13  ILE  15          3HG1      ILE  15   7.183  -1.490  -7.698
  104   HG21  ILE  15          1HG2      ILE  15  10.000  -3.879  -8.750
  105   HG22  ILE  15          2HG2      ILE  15   9.657  -3.816  -7.023
  106   HG23  ILE  15          3HG2      ILE  15   9.104  -5.189  -7.983
  107   HD11  ILE  15          1HD1      ILE  15   7.610  -3.170  -5.293
  108   HD12  ILE  15          2HD1      ILE  15   6.395  -1.934  -5.612
  109   HD13  ILE  15          3HD1      ILE  15   6.238  -3.532  -6.339
  110    H    CYS  16           HN       CYS  16   6.595  -4.752 -10.496
  111    HA   CYS  16           HA       CYS  16   8.740  -5.817 -12.214
  112    HB2  CYS  16          2HB       CYS  16   7.688  -8.041 -11.892
  113    HB3  CYS  16          3HB       CYS  16   8.263  -7.337 -10.384
  114    H    ARG  17           HN       ARG  17   5.860  -4.228 -12.287
  115    HA   ARG  17           HA       ARG  17   4.193  -3.936 -13.818
  116    HB2  ARG  17          2HB       ARG  17   6.618  -4.543 -15.478
  117    HB3  ARG  17          3HB       ARG  17   5.064  -4.270 -16.253
  118    HG2  ARG  17          2HG       ARG  17   5.153  -2.130 -14.627
  119    HG3  ARG  17          3HG       ARG  17   6.877  -2.375 -14.918
  120    HD2  ARG  17          2HD       ARG  17   5.129  -2.534 -17.287
  121    HD3  ARG  17          3HD       ARG  17   5.268  -0.944 -16.538
  122    HE   ARG  17           HE       ARG  17   7.473  -0.840 -17.211
  123   HH11  ARG  17          1HH1      ARG  17   6.202  -4.035 -17.756
  124   HH12  ARG  17          2HH1      ARG  17   7.551  -4.550 -18.714
  125   HH21  ARG  17          1HH2      ARG  17   9.255  -1.506 -18.470
  126   HH22  ARG  17          2HH2      ARG  17   9.287  -3.111 -19.119
  127    H    GLU  18           HN       GLU  18   3.440  -6.069 -12.698
  128    HA   GLU  18           HA       GLU  18   2.963  -8.054 -14.824
  129    HB2  GLU  18          2HB       GLU  18   3.534  -8.454 -11.901
  130    HB3  GLU  18          3HB       GLU  18   2.659  -9.668 -12.824
  131    HG2  GLU  18          2HG       GLU  18   5.429  -8.650 -13.417
  132    HG3  GLU  18          3HG       GLU  18   5.023 -10.202 -12.686
  133    H    GLU  19           HN       GLU  19   1.535  -8.249 -11.660
  134    HA   GLU  19           HA       GLU  19  -0.854  -6.831 -12.219
  135    HB2  GLU  19          2HB       GLU  19  -0.705  -9.372 -13.417
  136    HB3  GLU  19          3HB       GLU  19  -1.760  -9.561 -12.023
  137    HG2  GLU  19          2HG       GLU  19  -2.757  -7.289 -13.064
  138    HG3  GLU  19          3HG       GLU  19  -2.177  -8.079 -14.530
  139    H    MET  20           HN       MET  20  -2.368  -6.916 -10.483
  140    HA   MET  20           HA       MET  20  -1.418  -8.320  -8.080
  141    HB2  MET  20          2HB       MET  20  -2.044  -5.414  -8.426
  142    HB3  MET  20          3HB       MET  20  -2.352  -6.180  -6.874
  143    HG2  MET  20          2HG       MET  20  -0.041  -6.799  -6.661
  144    HG3  MET  20          3HG       MET  20   0.305  -6.204  -8.283
  145    HE1  MET  20          1HE       MET  20  -0.668  -3.977  -8.949
  146    HE2  MET  20          2HE       MET  20  -1.412  -2.877  -7.788
  147    HE3  MET  20          3HE       MET  20   0.264  -2.635  -8.283
  148    H    VAL  21           HN       VAL  21  -2.980  -9.858  -7.989
  149    HA   VAL  21           HA       VAL  21  -5.784  -9.056  -8.224
  150    HB   VAL  21           HB       VAL  21  -6.134 -11.602  -7.972
  151   HG11  VAL  21          1HG1      VAL  21  -6.545 -10.516 -10.052
  152   HG12  VAL  21          2HG1      VAL  21  -4.818 -10.352 -10.376
  153   HG13  VAL  21          3HG1      VAL  21  -5.572 -11.947 -10.390
  154   HG21  VAL  21          1HG2      VAL  21  -3.785 -11.975  -7.170
  155   HG22  VAL  21          2HG2      VAL  21  -4.292 -13.021  -8.495
  156   HG23  VAL  21          3HG2      VAL  21  -3.242 -11.642  -8.814
  157    H    THR  22           HN       THR  22  -3.421  -9.952  -5.882
  158    HA   THR  22           HA       THR  22  -4.939  -9.169  -3.683
  159    HB   THR  22           HB       THR  22  -6.378 -11.009  -3.829
  160    HG1  THR  22          1HG       THR  22  -5.837 -11.140  -1.753
  161   HG21  THR  22          1HG2      THR  22  -5.892 -12.829  -5.018
  162   HG22  THR  22          2HG2      THR  22  -4.624 -13.273  -3.875
  163   HG23  THR  22          3HG2      THR  22  -4.254 -12.216  -5.237
  164    H    GLY  23           HN       GLY  23  -3.844  -9.491  -1.651
  165    HA2  GLY  23          1HA       GLY  23  -2.020 -10.008  -0.298
  166    HA3  GLY  23          2HA       GLY  23  -1.271 -10.822  -1.664
  167    H    ALA  24           HN       ALA  24  -2.453  -7.488  -1.421
  168    HA   ALA  24           HA       ALA  24   0.313  -6.524  -1.572
  169    HB1  ALA  24          1HB       ALA  24  -0.456  -4.848  -3.306
  170    HB2  ALA  24          2HB       ALA  24  -0.290  -6.516  -3.855
  171    HB3  ALA  24          3HB       ALA  24  -1.888  -5.857  -3.508
  172    H    LYS  25           HN       LYS  25   0.494  -4.193  -1.117
  173    HA   LYS  25           HA       LYS  25  -1.592  -3.341   0.779
  174    HB2  LYS  25          2HB       LYS  25   1.213  -2.264   0.757
  175    HB3  LYS  25          3HB       LYS  25   0.052  -2.285   2.078
  176    HG2  LYS  25          2HG       LYS  25   1.362  -4.741   0.933
  177    HG3  LYS  25          3HG       LYS  25   1.930  -3.874   2.362
  178    HD2  LYS  25          2HD       LYS  25  -0.880  -4.421   2.595
  179    HD3  LYS  25          3HD       LYS  25  -0.003  -5.911   2.238
  180    HE2  LYS  25          2HE       LYS  25   1.323  -5.724   4.155
  181    HE3  LYS  25          3HE       LYS  25   0.944  -4.014   4.360
  182    HZ1  LYS  25          1HZ       LYS  25  -0.681  -6.370   5.032
  183    HZ2  LYS  25          2HZ       LYS  25  -1.455  -4.910   4.667
  184    HZ3  LYS  25          3HZ       LYS  25  -0.362  -4.988   5.956
  185    H    ARG  26           HN       ARG  26  -1.213  -0.764   1.119
  186    HA   ARG  26           HA       ARG  26  -1.286   0.446  -1.564
  187    HB2  ARG  26          2HB       ARG  26  -3.566   0.183  -0.643
  188    HB3  ARG  26          3HB       ARG  26  -3.093   1.132   0.760
  189    HG2  ARG  26          2HG       ARG  26  -2.483   2.949  -0.981
  190    HG3  ARG  26          3HG       ARG  26  -3.523   2.015  -2.059
  191    HD2  ARG  26          2HD       ARG  26  -4.720   3.844  -0.906
  192    HD3  ARG  26          3HD       ARG  26  -5.383   2.252  -0.546
  193    HE   ARG  26           HE       ARG  26  -3.440   3.209   1.362
  194   HH11  ARG  26          1HH1      ARG  26  -6.803   3.075   0.471
  195   HH12  ARG  26          2HH1      ARG  26  -7.376   3.362   2.081
  196   HH21  ARG  26          1HH2      ARG  26  -4.182   3.588   3.486
  197   HH22  ARG  26          2HH2      ARG  26  -5.884   3.655   3.794
  198    H    LEU  27           HN       LEU  27  -0.286   2.392  -1.808
  199    HA   LEU  27           HA       LEU  27   1.355   3.285   0.433
  200    HB2  LEU  27          2HB       LEU  27   1.405   3.839  -2.519
  201    HB3  LEU  27          3HB       LEU  27   2.389   4.751  -1.377
  202    HG   LEU  27           HG       LEU  27   2.558   1.783  -1.901
  203   HD11  LEU  27          1HD1      LEU  27   4.268   2.176  -3.305
  204   HD12  LEU  27          2HD1      LEU  27   4.862   3.547  -2.367
  205   HD13  LEU  27          3HD1      LEU  27   3.511   3.759  -3.480
  206   HD21  LEU  27          1HD2      LEU  27   3.314   1.788   0.224
  207   HD22  LEU  27          2HD2      LEU  27   3.647   3.520   0.217
  208   HD23  LEU  27          3HD2      LEU  27   4.788   2.399  -0.528
  209    HA   PRO  28           HA       PRO  28  -0.986   6.897   1.301
  210    HB2  PRO  28          2HB       PRO  28   0.978   8.619   2.045
  211    HB3  PRO  28          3HB       PRO  28   0.457   7.262   3.051
  212    HG2  PRO  28          2HG       PRO  28   2.823   7.470   1.230
  213    HG3  PRO  28          3HG       PRO  28   2.724   6.778   2.859
  214    HD2  PRO  28          2HD       PRO  28   2.706   5.251   0.624
  215    HD3  PRO  28          3HD       PRO  28   1.828   4.795   2.099
  216    H    CYS  29           HN       CYS  29   0.931   6.638  -1.379
  217    HA   CYS  29           HA       CYS  29   0.445   9.407  -2.242
  218    HB2  CYS  29          2HB       CYS  29   2.058   8.764  -4.117
  219    HB3  CYS  29          3HB       CYS  29   2.740   8.920  -2.501
  220    H    ASN  30           HN       ASN  30  -1.030   6.518  -2.358
  221    HA   ASN  30           HA       ASN  30  -2.888   5.888  -3.562
  222    HB2  ASN  30          2HB       ASN  30  -2.714   8.468  -4.331
  223    HB3  ASN  30          3HB       ASN  30  -2.363   7.678  -5.866
  224   HD21  ASN  30          1HD2      ASN  30  -4.509   9.091  -5.976
  225   HD22  ASN  30          2HD2      ASN  30  -5.953   8.150  -5.858
  226    H    HIS  31           HN       HIS  31  -0.681   4.405  -3.660
  227    HA   HIS  31           HA       HIS  31  -0.785   3.293  -6.338
  228    HB2  HIS  31          2HB       HIS  31   1.829   4.157  -5.083
  229    HB3  HIS  31          3HB       HIS  31   1.682   3.185  -6.544
  230    HD2  HIS  31          2HD       HIS  31  -0.395   4.899  -8.277
  231    HE1  HIS  31          1HE       HIS  31   2.136   8.209  -7.484
  232    HE2  HIS  31          2HE       HIS  31   0.244   7.328  -8.893
  233    H    ILE  32           HN       ILE  32  -0.847   1.140  -6.244
  234    HA   ILE  32           HA       ILE  32  -0.049  -0.150  -3.721
  235    HB   ILE  32           HB       ILE  32  -2.093  -0.985  -5.776
  236   HG12  ILE  32          2HG1      ILE  32  -2.792  -0.813  -2.922
  237   HG13  ILE  32          3HG1      ILE  32  -2.348   0.724  -3.655
  238   HG21  ILE  32          1HG2      ILE  32  -2.311  -2.695  -3.609
  239   HG22  ILE  32          2HG2      ILE  32  -1.659  -3.089  -5.199
  240   HG23  ILE  32          3HG2      ILE  32  -0.575  -2.585  -3.902
  241   HD11  ILE  32          1HD1      ILE  32  -4.735   0.392  -3.766
  242   HD12  ILE  32          2HD1      ILE  32  -4.045   0.362  -5.388
  243   HD13  ILE  32          3HD1      ILE  32  -4.508  -1.145  -4.599
  244    H    PHE  33           HN       PHE  33   1.375  -1.810  -3.721
  245    HA   PHE  33           HA       PHE  33   2.188  -3.014  -6.252
  246    HB2  PHE  33          2HB       PHE  33   4.231  -1.853  -4.354
  247    HB3  PHE  33          3HB       PHE  33   4.529  -2.579  -5.929
  248    HD1  PHE  33          1HD       PHE  33   3.434   0.399  -4.148
  249    HD2  PHE  33          2HD       PHE  33   3.993  -1.374  -7.977
  250    HE1  PHE  33          1HE       PHE  33   3.253   2.617  -5.197
  251    HE2  PHE  33          2HE       PHE  33   3.814   0.841  -9.032
  252    HZ   PHE  33           HZ       PHE  33   3.444   2.841  -7.642
  253    H    HIS  34           HN       HIS  34   3.227  -5.032  -6.032
  254    HA   HIS  34           HA       HIS  34   2.288  -6.809  -4.241
  255    HB2  HIS  34          2HB       HIS  34   5.015  -6.762  -5.535
  256    HB3  HIS  34          3HB       HIS  34   4.407  -8.147  -4.633
  257    HD2  HIS  34          2HD       HIS  34   1.414  -8.352  -5.892
  258    HE1  HIS  34          1HE       HIS  34   3.411  -8.491  -9.632
  259    HE2  HIS  34          2HE       HIS  34   1.236  -8.870  -8.420
  260    H    THR  35           HN       THR  35   2.599  -7.401  -2.170
  261    HA   THR  35           HA       THR  35   3.857  -5.653  -0.366
  262    HB   THR  35           HB       THR  35   3.145  -8.544   0.155
  263    HG1  THR  35          1HG       THR  35   1.107  -7.721   0.744
  264   HG21  THR  35          1HG2      THR  35   4.351  -6.587   1.776
  265   HG22  THR  35          2HG2      THR  35   3.706  -8.151   2.276
  266   HG23  THR  35          3HG2      THR  35   2.680  -6.717   2.322
  267    H    SER  36           HN       SER  36   5.132  -8.135  -2.317
  268    HA   SER  36           HA       SER  36   7.466  -8.539  -0.607
  269    HB2  SER  36          2HB       SER  36   7.885  -9.941  -2.979
  270    HB3  SER  36          3HB       SER  36   7.273 -10.608  -1.466
  271    HG   SER  36           HG       SER  36   6.016 -10.565  -3.719
  272    H    CYS  37           HN       CYS  37   6.557  -7.158  -3.715
  273    HA   CYS  37           HA       CYS  37   9.185  -6.580  -4.604
  274    HB2  CYS  37          2HB       CYS  37   6.493  -5.429  -5.343
  275    HB3  CYS  37          3HB       CYS  37   7.991  -4.946  -6.132
  276    H    LEU  38           HN       LEU  38   6.855  -4.834  -2.642
  277    HA   LEU  38           HA       LEU  38   8.161  -2.329  -2.662
  278    HB2  LEU  38          2HB       LEU  38   6.191  -3.632  -0.818
  279    HB3  LEU  38          3HB       LEU  38   6.879  -2.054  -0.443
  280    HG   LEU  38           HG       LEU  38   5.163  -2.772  -2.816
  281   HD11  LEU  38          1HD1      LEU  38   3.537  -1.331  -1.847
  282   HD12  LEU  38          2HD1      LEU  38   4.661  -0.802  -0.596
  283   HD13  LEU  38          3HD1      LEU  38   4.055  -2.457  -0.592
  284   HD21  LEU  38          1HD2      LEU  38   6.826  -0.363  -2.213
  285   HD22  LEU  38          2HD2      LEU  38   5.309  -0.188  -3.096
  286   HD23  LEU  38          3HD2      LEU  38   6.592  -1.214  -3.740
  287    H    ARG  39           HN       ARG  39   8.084  -4.831  -0.115
  288    HA   ARG  39           HA       ARG  39   9.984  -3.683   1.559
  289    HB2  ARG  39          2HB       ARG  39   9.503  -6.639   1.148
  290    HB3  ARG  39          3HB       ARG  39  10.220  -5.883   2.565
  291    HG2  ARG  39          2HG       ARG  39   8.076  -4.698   2.954
  292    HG3  ARG  39          3HG       ARG  39   7.379  -5.608   1.612
  293    HD2  ARG  39          2HD       ARG  39   8.432  -6.672   4.224
  294    HD3  ARG  39          3HD       ARG  39   6.778  -6.739   3.615
  295    HE   ARG  39           HE       ARG  39   8.223  -8.097   1.751
  296   HH11  ARG  39          1HH1      ARG  39   7.842  -8.351   5.202
  297   HH12  ARG  39          2HH1      ARG  39   8.108 -10.062   5.237
  298   HH21  ARG  39          1HH2      ARG  39   8.574 -10.350   1.784
  299   HH22  ARG  39          2HH2      ARG  39   8.525 -11.198   3.292
  300    H    SER  40           HN       SER  40  10.375  -5.488  -1.385
  301    HA   SER  40           HA       SER  40  13.222  -5.883  -0.966
  302    HB2  SER  40          2HB       SER  40  11.523  -6.483  -3.400
  303    HB3  SER  40          3HB       SER  40  13.181  -7.021  -3.132
  304    HG   SER  40           HG       SER  40  12.322  -8.669  -2.168
  305    H    TRP  41           HN       TRP  41  11.082  -3.678  -2.568
  306    HA   TRP  41           HA       TRP  41  13.073  -2.551  -4.304
  307    HB2  TRP  41          2HB       TRP  41  10.722  -2.461  -4.935
  308    HB3  TRP  41          3HB       TRP  41  10.343  -1.536  -3.485
  309    HD1  TRP  41          1HD       TRP  41  10.842   1.057  -3.519
  310    HE1  TRP  41          1HE       TRP  41  11.481   2.697  -5.396
  311    HE3  TRP  41          3HE       TRP  41  12.102  -2.316  -7.150
  312    HZ2  TRP  41          2HZ       TRP  41  12.398   2.578  -8.063
  313    HZ3  TRP  41          3HZ       TRP  41  12.850  -1.470  -9.336
  314    HH2  TRP  41          2HH       TRP  41  12.994   0.926  -9.782
  315    H    PHE  42           HN       PHE  42  11.472  -1.505  -1.304
  316    HA   PHE  42           HA       PHE  42  12.986   0.889  -1.060
  317    HB2  PHE  42          2HB       PHE  42  11.453  -0.651   1.045
  318    HB3  PHE  42          3HB       PHE  42  12.048   0.997   1.217
  319    HD1  PHE  42          1HD       PHE  42  11.372   2.217  -1.325
  320    HD2  PHE  42          2HD       PHE  42   9.152  -0.535   1.044
  321    HE1  PHE  42          1HE       PHE  42   9.279   3.074  -2.296
  322    HE2  PHE  42          2HE       PHE  42   7.056   0.316   0.076
  323    HZ   PHE  42           HZ       PHE  42   7.119   2.122  -1.597
  324    H    GLN  43           HN       GLN  43  13.726  -2.364  -0.502
  325    HA   GLN  43           HA       GLN  43  15.380  -2.354   1.709
  326    HB2  GLN  43          2HB       GLN  43  15.013  -4.024  -0.643
  327    HB3  GLN  43          3HB       GLN  43  16.690  -4.003  -0.112
  328    HG2  GLN  43          2HG       GLN  43  15.002  -4.310   2.164
  329    HG3  GLN  43          3HG       GLN  43  14.542  -5.489   0.937
  330   HE21  GLN  43          1HE2      GLN  43  15.581  -7.336   1.038
  331   HE22  GLN  43          2HE2      GLN  43  17.166  -7.586   1.677
  332    H    ARG  44           HN       ARG  44  16.077  -1.308  -1.584
  333    HA   ARG  44           HA       ARG  44  18.678  -0.294  -0.640
  334    HB2  ARG  44          2HB       ARG  44  18.341  -0.534  -3.543
  335    HB3  ARG  44          3HB       ARG  44  19.689  -1.014  -2.521
  336    HG2  ARG  44          2HG       ARG  44  18.169  -2.968  -1.808
  337    HG3  ARG  44          3HG       ARG  44  17.236  -2.560  -3.250
  338    HD2  ARG  44          2HD       ARG  44  20.012  -2.621  -3.918
  339    HD3  ARG  44          3HD       ARG  44  19.594  -4.108  -3.066
  340    HE   ARG  44           HE       ARG  44  18.956  -3.514  -5.719
  341   HH11  ARG  44          1HH1      ARG  44  17.419  -4.740  -2.845
  342   HH12  ARG  44          2HH1      ARG  44  16.266  -5.699  -3.714
  343   HH21  ARG  44          1HH2      ARG  44  17.443  -4.773  -6.873
  344   HH22  ARG  44          2HH2      ARG  44  16.282  -5.717  -6.005
  345    H    GLN  45           HN       GLN  45  15.680   0.427  -2.217
  346    HA   GLN  45           HA       GLN  45  16.578   3.182  -2.724
  347    HB2  GLN  45          2HB       GLN  45  14.699   1.367  -4.092
  348    HB3  GLN  45          3HB       GLN  45  14.146   3.029  -3.933
  349    HG2  GLN  45          2HG       GLN  45  15.260   2.755  -6.038
  350    HG3  GLN  45          3HG       GLN  45  16.230   3.796  -4.995
  351   HE21  GLN  45          1HE2      GLN  45  16.172   1.005  -6.893
  352   HE22  GLN  45          2HE2      GLN  45  17.740   0.401  -6.495
  353    H    GLN  46           HN       GLN  46  14.589   4.758  -2.585
  354    HA   GLN  46           HA       GLN  46  12.841   4.149  -0.343
  355    HB2  GLN  46          2HB       GLN  46  14.928   5.056   0.661
  356    HB3  GLN  46          3HB       GLN  46  14.702   6.529  -0.273
  357    HG2  GLN  46          2HG       GLN  46  13.086   7.307   1.082
  358    HG3  GLN  46          3HG       GLN  46  12.414   5.705   1.380
  359   HE21  GLN  46          1HE2      GLN  46  12.851   7.730   3.323
  360   HE22  GLN  46          2HE2      GLN  46  13.999   7.121   4.461
  361    H    THR  47           HN       THR  47  12.455   4.653  -3.167
  362    HA   THR  47           HA       THR  47  10.604   6.909  -2.930
  363    HB   THR  47           HB       THR  47  11.555   7.013  -5.579
  364    HG1  THR  47          1HG       THR  47  13.838   7.638  -4.849
  365   HG21  THR  47          1HG2      THR  47  12.415   8.935  -3.445
  366   HG22  THR  47          2HG2      THR  47  10.717   8.809  -3.905
  367   HG23  THR  47          3HG2      THR  47  11.924   9.261  -5.107
  368    H    CYS  48           HN       CYS  48   8.662   6.521  -3.815
  369    HA   CYS  48           HA       CYS  48   7.690   4.089  -4.457
  370    HB2  CYS  48          2HB       CYS  48   6.552   6.476  -4.352
  371    HB3  CYS  48          3HB       CYS  48   6.687   6.371  -6.105
  372    HA   PRO  49           HA       PRO  49   9.643   2.848  -8.222
  373    HB2  PRO  49          2HB       PRO  49   7.990   0.779  -8.818
  374    HB3  PRO  49          3HB       PRO  49   9.212   0.696  -7.544
  375    HG2  PRO  49          2HG       PRO  49   6.272   1.216  -7.318
  376    HG3  PRO  49          3HG       PRO  49   7.307   0.184  -6.313
  377    HD2  PRO  49          2HD       PRO  49   6.542   2.666  -5.549
  378    HD3  PRO  49          3HD       PRO  49   8.106   1.965  -5.087
  379    H    THR  50           HN       THR  50   6.789   4.471  -7.980
  380    HA   THR  50           HA       THR  50   6.412   4.467 -10.902
  381    HB   THR  50           HB       THR  50   4.546   3.382  -9.414
  382    HG1  THR  50          1HG       THR  50   3.721   5.358 -11.277
  383   HG21  THR  50          1HG2      THR  50   2.831   5.001  -8.726
  384   HG22  THR  50          2HG2      THR  50   3.916   6.324  -9.156
  385   HG23  THR  50          3HG2      THR  50   4.336   5.231  -7.838
  386    H    CYS  51           HN       CYS  51   5.902   6.304  -7.901
  387    HA   CYS  51           HA       CYS  51   6.122   8.787  -9.469
  388    HB2  CYS  51          2HB       CYS  51   4.870   9.901  -7.758
  389    HB3  CYS  51          3HB       CYS  51   4.004   8.422  -8.161
  390    H    ARG  52           HN       ARG  52   7.879   6.785  -7.523
  391    HA   ARG  52           HA       ARG  52   9.603   7.082  -6.006
  392    HB2  ARG  52          2HB       ARG  52  10.231   8.690  -8.462
  393    HB3  ARG  52          3HB       ARG  52  11.380   8.612  -7.134
  394    HG2  ARG  52          2HG       ARG  52  11.148   6.065  -7.348
  395    HG3  ARG  52          3HG       ARG  52  10.423   6.410  -8.919
  396    HD2  ARG  52          2HD       ARG  52  12.882   7.894  -8.470
  397    HD3  ARG  52          3HD       ARG  52  13.119   6.149  -8.379
  398    HE   ARG  52           HE       ARG  52  11.684   6.426 -10.638
  399   HH11  ARG  52          1HH1      ARG  52  14.560   7.999  -9.466
  400   HH12  ARG  52          2HH1      ARG  52  15.212   8.274 -11.048
  401   HH21  ARG  52          1HH2      ARG  52  12.532   6.782 -12.726
  402   HH22  ARG  52          2HH2      ARG  52  14.057   7.581 -12.902
  403    H    MET  53           HN       MET  53   7.792   8.374  -4.735
  404    HA   MET  53           HA       MET  53   8.846  11.073  -4.204
  405    HB2  MET  53          2HB       MET  53   6.504  10.993  -5.051
  406    HB3  MET  53          3HB       MET  53   6.061  10.046  -3.637
  407    HG2  MET  53          2HG       MET  53   6.526  11.858  -2.175
  408    HG3  MET  53          3HG       MET  53   7.270  12.789  -3.472
  409    HE1  MET  53          1HE       MET  53   3.697  10.793  -3.353
  410    HE2  MET  53          2HE       MET  53   4.173  11.467  -1.795
  411    HE3  MET  53          3HE       MET  53   2.810  12.158  -2.676
  412    H    ASP  54           HN       ASP  54   9.128   8.094  -3.078
  413    HA   ASP  54           HA       ASP  54   9.856   7.237  -1.096
  414    HB2  ASP  54          2HB       ASP  54  10.945   9.551  -0.916
  415    HB3  ASP  54          3HB       ASP  54   9.597   9.976   0.133
  416    H    VAL  55           HN       VAL  55   8.965   6.391   0.807
  417    HA   VAL  55           HA       VAL  55   6.352   7.395   1.652
  418    HB   VAL  55           HB       VAL  55   5.471   5.024   1.669
  419   HG11  VAL  55          1HG1      VAL  55   4.701   6.675   0.057
  420   HG12  VAL  55          2HG1      VAL  55   6.057   6.293  -1.006
  421   HG13  VAL  55          3HG1      VAL  55   4.811   5.084  -0.694
  422   HG21  VAL  55          1HG2      VAL  55   7.768   4.574  -0.235
  423   HG22  VAL  55          2HG2      VAL  55   7.634   3.896   1.388
  424   HG23  VAL  55          3HG2      VAL  55   6.483   3.425   0.138
  425    H    LEU  56           HN       LEU  56   8.945   5.034   2.162
  426    HA   LEU  56           HA       LEU  56   8.355   4.112   4.675
  427    HB2  LEU  56          2HB       LEU  56  10.667   4.265   3.003
  428    HB3  LEU  56          3HB       LEU  56  11.131   4.629   4.663
  429    HG   LEU  56           HG       LEU  56   9.928   2.457   5.285
  430   HD11  LEU  56          1HD1      LEU  56  10.324   1.892   2.354
  431   HD12  LEU  56          2HD1      LEU  56   8.764   2.261   3.088
  432   HD13  LEU  56          3HD1      LEU  56   9.647   0.815   3.577
  433   HD21  LEU  56          1HD2      LEU  56  12.344   2.079   3.540
  434   HD22  LEU  56          2HD2      LEU  56  11.900   1.217   5.013
  435   HD23  LEU  56          3HD2      LEU  56  12.434   2.895   5.101
  Start of MODEL   14
    1    H1   ALA   1           HN       ALA   1  -4.754  -3.502   0.666
    2    HA   ALA   1           HA       ALA   1  -5.874  -2.082  -0.717
    3    HB1  ALA   1          1HB       ALA   1  -5.121  -3.902  -2.987
    4    HB2  ALA   1          2HB       ALA   1  -5.373  -2.156  -3.015
    5    HB3  ALA   1          3HB       ALA   1  -3.959  -2.829  -2.206
    6    H    THR   2           HN       THR   2  -7.677  -1.963  -2.399
    7    HA   THR   2           HA       THR   2  -9.581  -4.150  -1.873
    8    HB   THR   2           HB       THR   2 -11.155  -2.647  -1.382
    9    HG1  THR   2          1HG       THR   2 -11.922  -1.417  -2.955
   10   HG21  THR   2          1HG2      THR   2  -9.082  -0.488  -1.749
   11   HG22  THR   2          2HG2      THR   2  -9.119  -1.571  -0.356
   12   HG23  THR   2          3HG2      THR   2 -10.471  -0.480  -0.663
   13    HA   PRO   3           HA       PRO   3 -10.043  -5.019  -6.150
   14    HB2  PRO   3          2HB       PRO   3 -12.716  -5.426  -6.389
   15    HB3  PRO   3          3HB       PRO   3 -11.640  -6.566  -5.571
   16    HG2  PRO   3          2HG       PRO   3 -13.428  -4.472  -4.396
   17    HG3  PRO   3          3HG       PRO   3 -13.156  -6.141  -3.860
   18    HD2  PRO   3          2HD       PRO   3 -11.967  -4.018  -2.673
   19    HD3  PRO   3          3HD       PRO   3 -11.187  -5.610  -2.786
   20    H    GLU   4           HN       GLU   4 -12.158  -2.519  -4.847
   21    HA   GLU   4           HA       GLU   4 -12.927  -1.464  -7.386
   22    HB2  GLU   4          2HB       GLU   4 -14.001  -1.200  -4.981
   23    HB3  GLU   4          3HB       GLU   4 -12.963   0.218  -4.921
   24    HG2  GLU   4          2HG       GLU   4 -14.705   1.256  -5.853
   25    HG3  GLU   4          3HG       GLU   4 -14.117   0.532  -7.348
   26    H    GLU   5           HN       GLU   5 -10.602  -0.438  -4.899
   27    HA   GLU   5           HA       GLU   5  -9.638   1.783  -6.393
   28    HB2  GLU   5          2HB       GLU   5  -8.372   0.289  -4.090
   29    HB3  GLU   5          3HB       GLU   5  -7.818   1.833  -4.720
   30    HG2  GLU   5          2HG       GLU   5 -10.379   1.229  -3.281
   31    HG3  GLU   5          3HG       GLU   5  -9.078   2.313  -2.793
   32    H    LEU   6           HN       LEU   6  -8.706  -1.584  -6.122
   33    HA   LEU   6           HA       LEU   6  -6.184  -1.398  -7.369
   34    HB2  LEU   6          2HB       LEU   6  -8.135  -3.583  -6.842
   35    HB3  LEU   6          3HB       LEU   6  -6.823  -3.884  -7.979
   36    HG   LEU   6           HG       LEU   6  -6.375  -2.953  -5.149
   37   HD11  LEU   6          1HD1      LEU   6  -6.403  -5.064  -4.367
   38   HD12  LEU   6          2HD1      LEU   6  -5.800  -5.749  -5.875
   39   HD13  LEU   6          3HD1      LEU   6  -7.506  -5.330  -5.717
   40   HD21  LEU   6          1HD2      LEU   6  -4.131  -3.376  -5.511
   41   HD22  LEU   6          2HD2      LEU   6  -4.635  -2.697  -7.058
   42   HD23  LEU   6          3HD2      LEU   6  -4.444  -4.441  -6.881
   43    H    GLN   7           HN       GLN   7  -9.379  -2.260  -8.682
   44    HA   GLN   7           HA       GLN   7  -8.477  -2.488 -11.363
   45    HB2  GLN   7          2HB       GLN   7 -10.850  -3.004  -9.969
   46    HB3  GLN   7          3HB       GLN   7 -11.275  -1.783 -11.163
   47    HG2  GLN   7          2HG       GLN   7 -10.171  -3.257 -12.884
   48    HG3  GLN   7          3HG       GLN   7 -10.098  -4.504 -11.640
   49   HE21  GLN   7          1HE2      GLN   7 -11.562  -4.346 -14.212
   50   HE22  GLN   7          2HE2      GLN   7 -13.215  -4.646 -13.811
   51    H    ALA   8           HN       ALA   8  -8.679   0.171  -9.441
   52    HA   ALA   8           HA       ALA   8  -9.516   1.999 -11.569
   53    HB1  ALA   8          1HB       ALA   8 -10.485   2.980  -9.815
   54    HB2  ALA   8          2HB       ALA   8  -9.494   2.089  -8.659
   55    HB3  ALA   8          3HB       ALA   8  -8.872   3.563  -9.403
   56    H    MET   9           HN       MET   9  -6.778   0.470 -10.847
   57    HA   MET   9           HA       MET   9  -5.137   2.598 -11.971
   58    HB2  MET   9          2HB       MET   9  -3.360   2.274 -10.294
   59    HB3  MET   9          3HB       MET   9  -4.838   2.898  -9.575
   60    HG2  MET   9          2HG       MET   9  -5.194   1.039  -8.350
   61    HG3  MET   9          3HG       MET   9  -4.533  -0.032  -9.583
   62    HE1  MET   9          1HE       MET   9  -0.860  -0.339  -8.818
   63    HE2  MET   9          2HE       MET   9  -2.306  -1.082  -9.501
   64    HE3  MET   9          3HE       MET   9  -1.688   0.428 -10.173
   65    H    ASP  10           HN       ASP  10  -6.217  -0.015 -12.832
   66    HA   ASP  10           HA       ASP  10  -5.480  -1.638 -14.269
   67    HB2  ASP  10          2HB       ASP  10  -3.465   0.139 -14.455
   68    HB3  ASP  10          3HB       ASP  10  -2.598  -1.207 -13.721
   69    H    ASN  11           HN       ASN  11  -4.950  -1.430 -11.032
   70    HA   ASN  11           HA       ASN  11  -4.188  -2.869  -9.396
   71    HB2  ASN  11          2HB       ASN  11  -5.561  -4.769  -9.257
   72    HB3  ASN  11          3HB       ASN  11  -6.499  -3.645 -10.236
   73   HD21  ASN  11          1HD2      ASN  11  -4.942  -6.676 -10.101
   74   HD22  ASN  11          2HD2      ASN  11  -5.319  -7.200 -11.704
   75    H    VAL  12           HN       VAL  12  -2.221  -2.553 -11.404
   76    HA   VAL  12           HA       VAL  12  -1.017  -5.244 -11.423
   77    HB   VAL  12           HB       VAL  12  -1.009  -3.116 -13.530
   78   HG11  VAL  12          1HG1      VAL  12   1.221  -3.328 -13.695
   79   HG12  VAL  12          2HG1      VAL  12   1.252  -4.819 -12.753
   80   HG13  VAL  12          3HG1      VAL  12   0.840  -4.867 -14.468
   81   HG21  VAL  12          1HG2      VAL  12  -1.889  -4.719 -14.884
   82   HG22  VAL  12          2HG2      VAL  12  -1.006  -6.027 -14.097
   83   HG23  VAL  12          3HG2      VAL  12  -2.445  -5.351 -13.333
   84    H    CYS  13           HN       CYS  13   0.848  -5.442 -10.370
   85    HA   CYS  13           HA       CYS  13   1.976  -3.333  -8.896
   86    HB2  CYS  13          2HB       CYS  13   2.242  -5.617  -8.159
   87    HB3  CYS  13          3HB       CYS  13   3.099  -6.039  -9.639
   88    H    ILE  14           HN       ILE  14   3.006  -1.640  -9.716
   89    HA   ILE  14           HA       ILE  14   4.144  -1.547 -12.294
   90    HB   ILE  14           HB       ILE  14   3.357   0.397 -10.765
   91   HG12  ILE  14          2HG1      ILE  14   4.164   0.784 -13.003
   92   HG13  ILE  14          3HG1      ILE  14   4.922   1.962 -11.937
   93   HG21  ILE  14          1HG2      ILE  14   5.145   1.515  -9.542
   94   HG22  ILE  14          2HG2      ILE  14   4.860  -0.103  -8.905
   95   HG23  ILE  14          3HG2      ILE  14   6.252   0.204  -9.944
   96   HD11  ILE  14          1HD1      ILE  14   6.735   1.326 -13.134
   97   HD12  ILE  14          2HD1      ILE  14   6.811   0.107 -11.862
   98   HD13  ILE  14          3HD1      ILE  14   6.112  -0.297 -13.430
   99    H    ILE  15           HN       ILE  15   5.625  -1.832  -9.077
  100    HA   ILE  15           HA       ILE  15   8.255  -1.665  -9.487
  101    HB   ILE  15           HB       ILE  15   6.943  -3.976  -8.052
  102   HG12  ILE  15          2HG1      ILE  15   8.091  -1.593  -6.670
  103   HG13  ILE  15          3HG1      ILE  15   6.526  -1.421  -7.457
  104   HG21  ILE  15          1HG2      ILE  15   9.723  -3.295  -8.506
  105   HG22  ILE  15          2HG2      ILE  15   9.330  -3.373  -6.790
  106   HG23  ILE  15          3HG2      ILE  15   9.016  -4.762  -7.829
  107   HD11  ILE  15          1HD1      ILE  15   5.935  -3.575  -6.123
  108   HD12  ILE  15          2HD1      ILE  15   7.294  -3.084  -5.112
  109   HD13  ILE  15          3HD1      ILE  15   5.919  -2.002  -5.327
  110    H    CYS  16           HN       CYS  16   6.430  -4.640 -10.220
  111    HA   CYS  16           HA       CYS  16   8.631  -5.443 -12.005
  112    HB2  CYS  16          2HB       CYS  16   7.880  -7.749 -11.697
  113    HB3  CYS  16          3HB       CYS  16   8.230  -7.000 -10.143
  114    H    ARG  17           HN       ARG  17   5.708  -4.025 -12.111
  115    HA   ARG  17           HA       ARG  17   4.003  -3.862 -13.625
  116    HB2  ARG  17          2HB       ARG  17   6.426  -4.371 -15.336
  117    HB3  ARG  17          3HB       ARG  17   4.847  -4.062 -16.047
  118    HG2  ARG  17          2HG       ARG  17   5.014  -1.993 -14.326
  119    HG3  ARG  17          3HG       ARG  17   6.719  -2.227 -14.722
  120    HD2  ARG  17          2HD       ARG  17   4.515  -1.937 -16.759
  121    HD3  ARG  17          3HD       ARG  17   5.547  -0.616 -16.212
  122    HE   ARG  17           HE       ARG  17   7.109  -2.788 -17.141
  123   HH11  ARG  17          1HH1      ARG  17   5.102  -0.170 -18.252
  124   HH12  ARG  17          2HH1      ARG  17   5.907  -0.028 -19.780
  125   HH21  ARG  17          1HH2      ARG  17   8.177  -2.611 -19.149
  126   HH22  ARG  17          2HH2      ARG  17   7.656  -1.418 -20.289
  127    H    GLU  18           HN       GLU  18   3.492  -6.096 -12.470
  128    HA   GLU  18           HA       GLU  18   3.156  -8.112 -14.594
  129    HB2  GLU  18          2HB       GLU  18   3.565  -8.423 -11.628
  130    HB3  GLU  18          3HB       GLU  18   2.880  -9.714 -12.604
  131    HG2  GLU  18          2HG       GLU  18   5.615  -8.493 -12.830
  132    HG3  GLU  18          3HG       GLU  18   5.198 -10.144 -12.373
  133    H    GLU  19           HN       GLU  19   1.592  -8.319 -11.496
  134    HA   GLU  19           HA       GLU  19  -0.852  -7.072 -12.219
  135    HB2  GLU  19          2HB       GLU  19  -0.492  -9.618 -13.328
  136    HB3  GLU  19          3HB       GLU  19  -1.556  -9.865 -11.950
  137    HG2  GLU  19          2HG       GLU  19  -3.246  -8.613 -12.850
  138    HG3  GLU  19          3HG       GLU  19  -2.152  -7.645 -13.836
  139    H    MET  20           HN       MET  20  -2.412  -7.137 -10.542
  140    HA   MET  20           HA       MET  20  -1.518  -8.415  -8.049
  141    HB2  MET  20          2HB       MET  20  -2.236  -5.550  -8.532
  142    HB3  MET  20          3HB       MET  20  -2.578  -6.271  -6.964
  143    HG2  MET  20          2HG       MET  20  -0.243  -6.814  -6.666
  144    HG3  MET  20          3HG       MET  20   0.128  -6.202  -8.276
  145    HE1  MET  20          1HE       MET  20  -0.294  -2.545  -8.172
  146    HE2  MET  20          2HE       MET  20  -0.931  -3.984  -8.967
  147    HE3  MET  20          3HE       MET  20  -1.923  -3.108  -7.799
  148    H    VAL  21           HN       VAL  21  -3.023 -10.000  -7.931
  149    HA   VAL  21           HA       VAL  21  -5.848  -9.288  -8.283
  150    HB   VAL  21           HB       VAL  21  -6.133 -11.844  -8.064
  151   HG11  VAL  21          1HG1      VAL  21  -5.530 -12.160 -10.460
  152   HG12  VAL  21          2HG1      VAL  21  -6.488 -10.710 -10.148
  153   HG13  VAL  21          3HG1      VAL  21  -4.751 -10.578 -10.425
  154   HG21  VAL  21          1HG2      VAL  21  -4.323 -13.233  -8.217
  155   HG22  VAL  21          2HG2      VAL  21  -3.327 -12.029  -9.035
  156   HG23  VAL  21          3HG2      VAL  21  -3.605 -11.910  -7.297
  157    H    THR  22           HN       THR  22  -3.514 -10.175  -5.896
  158    HA   THR  22           HA       THR  22  -5.093  -9.436  -3.723
  159    HB   THR  22           HB       THR  22  -6.460 -11.384  -4.128
  160    HG1  THR  22          1HG       THR  22  -4.772 -12.154  -1.989
  161   HG21  THR  22          1HG2      THR  22  -5.705 -13.477  -4.614
  162   HG22  THR  22          2HG2      THR  22  -4.252 -13.302  -3.630
  163   HG23  THR  22          3HG2      THR  22  -4.330 -12.561  -5.229
  164    H    GLY  23           HN       GLY  23  -3.870  -9.257  -1.898
  165    HA2  GLY  23          1HA       GLY  23  -2.113  -9.860  -0.424
  166    HA3  GLY  23          2HA       GLY  23  -1.360 -10.760  -1.732
  167    H    ALA  24           HN       ALA  24  -2.437  -7.385  -1.325
  168    HA   ALA  24           HA       ALA  24   0.310  -6.477  -1.690
  169    HB1  ALA  24          1HB       ALA  24  -1.941  -5.669  -3.524
  170    HB2  ALA  24          2HB       ALA  24  -0.368  -4.875  -3.456
  171    HB3  ALA  24          3HB       ALA  24  -0.484  -6.562  -3.959
  172    H    LYS  25           HN       LYS  25   0.536  -4.132  -1.294
  173    HA   LYS  25           HA       LYS  25  -1.453  -3.230   0.679
  174    HB2  LYS  25          2HB       LYS  25   1.408  -2.298   0.450
  175    HB3  LYS  25          3HB       LYS  25   0.296  -2.023   1.784
  176    HG2  LYS  25          2HG       LYS  25   1.472  -4.670   0.961
  177    HG3  LYS  25          3HG       LYS  25   1.926  -3.709   2.371
  178    HD2  LYS  25          2HD       LYS  25  -0.795  -3.967   2.659
  179    HD3  LYS  25          3HD       LYS  25  -0.325  -5.529   1.984
  180    HE2  LYS  25          2HE       LYS  25   1.605  -4.972   3.912
  181    HE3  LYS  25          3HE       LYS  25   0.084  -4.464   4.642
  182    HZ1  LYS  25          1HZ       LYS  25   0.420  -7.110   3.356
  183    HZ2  LYS  25          2HZ       LYS  25  -0.816  -6.605   4.394
  184    HZ3  LYS  25          3HZ       LYS  25   0.746  -6.851   4.996
  185    H    ARG  26           HN       ARG  26  -1.000  -0.635   0.941
  186    HA   ARG  26           HA       ARG  26  -1.166   0.532  -1.753
  187    HB2  ARG  26          2HB       ARG  26  -3.445   0.261  -0.922
  188    HB3  ARG  26          3HB       ARG  26  -3.024   1.104   0.563
  189    HG2  ARG  26          2HG       ARG  26  -2.868   3.166  -0.509
  190    HG3  ARG  26          3HG       ARG  26  -2.727   2.429  -2.106
  191    HD2  ARG  26          2HD       ARG  26  -4.909   3.150  -2.143
  192    HD3  ARG  26          3HD       ARG  26  -5.108   1.498  -1.559
  193    HE   ARG  26           HE       ARG  26  -5.551   3.940  -0.074
  194   HH11  ARG  26          1HH1      ARG  26  -5.055   0.497   0.061
  195   HH12  ARG  26          2HH1      ARG  26  -5.780   0.323   1.624
  196   HH21  ARG  26          1HH2      ARG  26  -6.508   3.723   1.985
  197   HH22  ARG  26          2HH2      ARG  26  -6.607   2.158   2.718
  198    H    LEU  27           HN       LEU  27  -0.092   2.407  -2.023
  199    HA   LEU  27           HA       LEU  27   1.490   3.380   0.211
  200    HB2  LEU  27          2HB       LEU  27   1.482   4.048  -2.725
  201    HB3  LEU  27          3HB       LEU  27   2.540   4.824  -1.549
  202    HG   LEU  27           HG       LEU  27   2.555   1.923  -2.373
  203   HD11  LEU  27          1HD1      LEU  27   4.433   2.367  -3.574
  204   HD12  LEU  27          2HD1      LEU  27   4.912   3.716  -2.543
  205   HD13  LEU  27          3HD1      LEU  27   3.628   3.930  -3.733
  206   HD21  LEU  27          1HD2      LEU  27   4.798   2.440  -0.828
  207   HD22  LEU  27          2HD2      LEU  27   3.389   1.488  -0.357
  208   HD23  LEU  27          3HD2      LEU  27   3.476   3.201   0.056
  209    HA   PRO  28           HA       PRO  28  -0.924   6.934   1.121
  210    HB2  PRO  28          2HB       PRO  28   1.007   8.698   1.847
  211    HB3  PRO  28          3HB       PRO  28   0.531   7.326   2.855
  212    HG2  PRO  28          2HG       PRO  28   2.869   7.596   1.006
  213    HG3  PRO  28          3HG       PRO  28   2.805   6.896   2.634
  214    HD2  PRO  28          2HD       PRO  28   2.797   5.375   0.393
  215    HD3  PRO  28          3HD       PRO  28   1.948   4.895   1.876
  216    H    CYS  29           HN       CYS  29   0.925   6.712  -1.595
  217    HA   CYS  29           HA       CYS  29   0.349   9.472  -2.444
  218    HB2  CYS  29          2HB       CYS  29   2.011   8.988  -4.278
  219    HB3  CYS  29          3HB       CYS  29   2.686   9.022  -2.651
  220    H    ASN  30           HN       ASN  30  -1.073   6.595  -2.524
  221    HA   ASN  30           HA       ASN  30  -2.900   5.907  -3.741
  222    HB2  ASN  30          2HB       ASN  30  -2.923   8.401  -4.518
  223    HB3  ASN  30          3HB       ASN  30  -2.209   7.763  -5.996
  224   HD21  ASN  30          1HD2      ASN  30  -4.879   8.968  -5.288
  225   HD22  ASN  30          2HD2      ASN  30  -6.031   7.851  -5.930
  226    H    HIS  31           HN       HIS  31  -0.147   4.926  -3.898
  227    HA   HIS  31           HA       HIS  31  -0.296   3.626  -6.538
  228    HB2  HIS  31          2HB       HIS  31   2.111   4.609  -5.017
  229    HB3  HIS  31          3HB       HIS  31   2.249   3.381  -6.272
  230    HD2  HIS  31          2HD       HIS  31   0.300   4.761  -8.521
  231    HE1  HIS  31          1HE       HIS  31   2.916   8.078  -8.133
  232    HE2  HIS  31          2HE       HIS  31   1.104   7.008  -9.517
  233    H    ILE  32           HN       ILE  32  -0.979   1.612  -6.222
  234    HA   ILE  32           HA       ILE  32  -0.168   0.179  -3.799
  235    HB   ILE  32           HB       ILE  32  -2.309  -0.407  -5.842
  236   HG12  ILE  32          2HG1      ILE  32  -2.920  -0.198  -2.961
  237   HG13  ILE  32          3HG1      ILE  32  -2.378   1.294  -3.721
  238   HG21  ILE  32          1HG2      ILE  32  -2.211  -2.550  -5.277
  239   HG22  ILE  32          2HG2      ILE  32  -0.910  -2.224  -4.133
  240   HG23  ILE  32          3HG2      ILE  32  -2.591  -2.101  -3.615
  241   HD11  ILE  32          1HD1      ILE  32  -4.743  -0.391  -4.495
  242   HD12  ILE  32          2HD1      ILE  32  -4.755   1.230  -3.799
  243   HD13  ILE  32          3HD1      ILE  32  -4.152   0.978  -5.436
  244    H    PHE  33           HN       PHE  33   1.186  -1.513  -3.829
  245    HA   PHE  33           HA       PHE  33   1.773  -2.865  -6.347
  246    HB2  PHE  33          2HB       PHE  33   3.984  -1.753  -4.613
  247    HB3  PHE  33          3HB       PHE  33   4.160  -2.589  -6.151
  248    HD1  PHE  33          1HD       PHE  33   2.362  -1.364  -7.952
  249    HD2  PHE  33          2HD       PHE  33   4.587   0.446  -4.806
  250    HE1  PHE  33          1HE       PHE  33   2.273   0.792  -9.134
  251    HE2  PHE  33          2HE       PHE  33   4.500   2.604  -5.983
  252    HZ   PHE  33           HZ       PHE  33   3.341   2.781  -8.148
  253    H    HIS  34           HN       HIS  34   3.210  -4.796  -5.975
  254    HA   HIS  34           HA       HIS  34   2.098  -6.542  -4.155
  255    HB2  HIS  34          2HB       HIS  34   4.783  -6.550  -5.523
  256    HB3  HIS  34          3HB       HIS  34   4.270  -7.871  -4.478
  257    HD2  HIS  34          2HD       HIS  34   1.115  -7.914  -5.683
  258    HE1  HIS  34          1HE       HIS  34   3.122  -8.938  -9.278
  259    HE2  HIS  34          2HE       HIS  34   0.904  -8.842  -8.088
  260    H    THR  35           HN       THR  35   2.533  -7.195  -2.095
  261    HA   THR  35           HA       THR  35   3.784  -5.340  -0.352
  262    HB   THR  35           HB       THR  35   3.169  -8.184   0.416
  263    HG1  THR  35          1HG       THR  35   1.003  -7.237   0.884
  264   HG21  THR  35          1HG2      THR  35   2.363  -6.007   2.178
  265   HG22  THR  35          2HG2      THR  35   4.094  -6.010   1.841
  266   HG23  THR  35          3HG2      THR  35   3.326  -7.442   2.524
  267    H    SER  36           HN       SER  36   4.955  -8.010  -2.154
  268    HA   SER  36           HA       SER  36   7.305  -8.367  -0.469
  269    HB2  SER  36          2HB       SER  36   7.903 -10.142  -2.110
  270    HB3  SER  36          3HB       SER  36   6.310 -10.382  -1.391
  271    HG   SER  36           HG       SER  36   6.998  -9.635  -3.999
  272    H    CYS  37           HN       CYS  37   6.381  -6.979  -3.550
  273    HA   CYS  37           HA       CYS  37   9.018  -6.542  -4.519
  274    HB2  CYS  37          2HB       CYS  37   6.344  -5.335  -5.232
  275    HB3  CYS  37          3HB       CYS  37   7.838  -4.880  -6.046
  276    H    LEU  38           HN       LEU  38   6.762  -4.637  -2.602
  277    HA   LEU  38           HA       LEU  38   8.225  -2.214  -2.676
  278    HB2  LEU  38          2HB       LEU  38   6.119  -3.317  -0.850
  279    HB3  LEU  38          3HB       LEU  38   6.892  -1.767  -0.523
  280    HG   LEU  38           HG       LEU  38   5.310  -2.446  -3.002
  281   HD11  LEU  38          1HD1      LEU  38   3.835  -2.309  -1.118
  282   HD12  LEU  38          2HD1      LEU  38   3.681  -0.825  -2.059
  283   HD13  LEU  38          3HD1      LEU  38   4.610  -0.826  -0.559
  284   HD21  LEU  38          1HD2      LEU  38   5.680   0.349  -2.499
  285   HD22  LEU  38          2HD2      LEU  38   6.132  -0.599  -3.916
  286   HD23  LEU  38          3HD2      LEU  38   7.248  -0.457  -2.556
  287    H    ARG  39           HN       ARG  39   7.996  -4.754  -0.187
  288    HA   ARG  39           HA       ARG  39   9.839  -3.656   1.601
  289    HB2  ARG  39          2HB       ARG  39   9.079  -6.533   1.083
  290    HB3  ARG  39          3HB       ARG  39  10.091  -6.020   2.428
  291    HG2  ARG  39          2HG       ARG  39   8.117  -4.451   3.002
  292    HG3  ARG  39          3HG       ARG  39   7.183  -5.524   1.957
  293    HD2  ARG  39          2HD       ARG  39   6.879  -6.513   4.013
  294    HD3  ARG  39          3HD       ARG  39   8.268  -7.406   3.399
  295    HE   ARG  39           HE       ARG  39   9.551  -6.489   5.060
  296   HH11  ARG  39          1HH1      ARG  39   6.572  -4.707   4.793
  297   HH12  ARG  39          2HH1      ARG  39   6.854  -3.768   6.221
  298   HH21  ARG  39          1HH2      ARG  39   9.933  -5.258   6.943
  299   HH22  ARG  39          2HH2      ARG  39   8.767  -4.081   7.443
  300    H    SER  40           HN       SER  40  10.299  -5.610  -1.272
  301    HA   SER  40           HA       SER  40  13.142  -5.926  -0.768
  302    HB2  SER  40          2HB       SER  40  11.635  -7.685  -1.870
  303    HB3  SER  40          3HB       SER  40  11.698  -6.667  -3.309
  304    HG   SER  40           HG       SER  40  13.363  -8.068  -3.531
  305    H    TRP  41           HN       TRP  41  11.012  -3.851  -2.529
  306    HA   TRP  41           HA       TRP  41  12.931  -2.852  -4.387
  307    HB2  TRP  41          2HB       TRP  41  10.682  -2.563  -5.026
  308    HB3  TRP  41          3HB       TRP  41  10.231  -1.900  -3.457
  309    HD1  TRP  41          1HD       TRP  41  10.672   0.687  -3.041
  310    HE1  TRP  41          1HE       TRP  41  11.206   2.636  -4.634
  311    HE3  TRP  41          3HE       TRP  41  11.955  -1.993  -7.201
  312    HZ2  TRP  41          2HZ       TRP  41  12.058   2.991  -7.302
  313    HZ3  TRP  41          3HZ       TRP  41  12.617  -0.773  -9.232
  314    HH2  TRP  41          2HH       TRP  41  12.666   1.668  -9.280
  315    H    PHE  42           HN       PHE  42  11.626  -1.629  -1.315
  316    HA   PHE  42           HA       PHE  42  13.239   0.712  -1.288
  317    HB2  PHE  42          2HB       PHE  42  11.689  -0.726   0.865
  318    HB3  PHE  42          3HB       PHE  42  12.579   0.762   1.168
  319    HD1  PHE  42          1HD       PHE  42   9.479  -0.600   0.250
  320    HD2  PHE  42          2HD       PHE  42  12.016   2.745  -0.448
  321    HE1  PHE  42          1HE       PHE  42   7.539   0.707  -0.513
  322    HE2  PHE  42          2HE       PHE  42  10.081   4.059  -1.210
  323    HZ   PHE  42           HZ       PHE  42   7.838   3.040  -1.242
  324    H    GLN  43           HN       GLN  43  13.888  -2.556  -0.627
  325    HA   GLN  43           HA       GLN  43  15.805  -2.414   1.393
  326    HB2  GLN  43          2HB       GLN  43  14.996  -4.338  -0.642
  327    HB3  GLN  43          3HB       GLN  43  16.718  -4.416  -0.292
  328    HG2  GLN  43          2HG       GLN  43  15.262  -4.242   2.159
  329    HG3  GLN  43          3HG       GLN  43  14.597  -5.539   1.166
  330   HE21  GLN  43          1HE2      GLN  43  16.379  -6.905   0.097
  331   HE22  GLN  43          2HE2      GLN  43  17.661  -7.402   1.142
  332    H    ARG  44           HN       ARG  44  15.995  -1.586  -1.980
  333    HA   ARG  44           HA       ARG  44  18.876  -1.055  -1.682
  334    HB2  ARG  44          2HB       ARG  44  17.469  -1.156  -4.331
  335    HB3  ARG  44          3HB       ARG  44  19.171  -1.413  -3.972
  336    HG2  ARG  44          2HG       ARG  44  17.975  -3.433  -2.571
  337    HG3  ARG  44          3HG       ARG  44  16.952  -3.304  -4.003
  338    HD2  ARG  44          2HD       ARG  44  19.293  -3.207  -5.226
  339    HD3  ARG  44          3HD       ARG  44  19.820  -4.053  -3.772
  340    HE   ARG  44           HE       ARG  44  17.516  -5.303  -4.784
  341   HH11  ARG  44          1HH1      ARG  44  20.883  -4.847  -5.545
  342   HH12  ARG  44          2HH1      ARG  44  21.022  -6.337  -6.415
  343   HH21  ARG  44          1HH2      ARG  44  17.687  -7.267  -5.929
  344   HH22  ARG  44          2HH2      ARG  44  19.204  -7.713  -6.635
  345    H    GLN  45           HN       GLN  45  15.776   0.294  -2.585
  346    HA   GLN  45           HA       GLN  45  17.044   2.920  -2.974
  347    HB2  GLN  45          2HB       GLN  45  14.249   2.115  -3.778
  348    HB3  GLN  45          3HB       GLN  45  15.113   3.574  -4.243
  349    HG2  GLN  45          2HG       GLN  45  16.236   0.909  -4.963
  350    HG3  GLN  45          3HG       GLN  45  14.902   1.582  -5.901
  351   HE21  GLN  45          1HE2      GLN  45  17.998   1.150  -6.140
  352   HE22  GLN  45          2HE2      GLN  45  18.510   2.612  -6.907
  353    H    GLN  46           HN       GLN  46  14.938   4.590  -2.557
  354    HA   GLN  46           HA       GLN  46  13.766   4.010   0.034
  355    HB2  GLN  46          2HB       GLN  46  16.122   5.035   0.325
  356    HB3  GLN  46          3HB       GLN  46  15.383   6.530  -0.234
  357    HG2  GLN  46          2HG       GLN  46  14.590   6.940   1.785
  358    HG3  GLN  46          3HG       GLN  46  13.754   5.388   1.810
  359   HE21  GLN  46          1HE2      GLN  46  14.643   6.329   4.141
  360   HE22  GLN  46          2HE2      GLN  46  16.026   5.448   4.685
  361    H    THR  47           HN       THR  47  13.088   4.760  -2.856
  362    HA   THR  47           HA       THR  47  11.209   6.925  -2.169
  363    HB   THR  47           HB       THR  47  11.611   6.951  -4.973
  364    HG1  THR  47          1HG       THR  47  13.633   6.065  -4.789
  365   HG21  THR  47          1HG2      THR  47  12.051   9.224  -4.643
  366   HG22  THR  47          2HG2      THR  47  12.772   8.950  -3.057
  367   HG23  THR  47          3HG2      THR  47  11.029   8.794  -3.272
  368    H    CYS  48           HN       CYS  48   9.528   7.006  -4.171
  369    HA   CYS  48           HA       CYS  48   8.227   4.408  -4.084
  370    HB2  CYS  48          2HB       CYS  48   6.988   6.537  -3.612
  371    HB3  CYS  48          3HB       CYS  48   7.215   6.986  -5.299
  372    HA   PRO  49           HA       PRO  49   9.600   3.240  -8.118
  373    HB2  PRO  49          2HB       PRO  49   7.842   1.211  -8.520
  374    HB3  PRO  49          3HB       PRO  49   9.233   1.076  -7.438
  375    HG2  PRO  49          2HG       PRO  49   6.366   1.631  -6.777
  376    HG3  PRO  49          3HG       PRO  49   7.516   0.560  -5.957
  377    HD2  PRO  49          2HD       PRO  49   6.913   3.031  -5.031
  378    HD3  PRO  49          3HD       PRO  49   8.513   2.296  -4.816
  379    H    THR  50           HN       THR  50   8.450   5.502  -8.564
  380    HA   THR  50           HA       THR  50   7.246   5.431 -11.002
  381    HB   THR  50           HB       THR  50   5.259   4.424 -10.495
  382    HG1  THR  50          1HG       THR  50   3.784   5.994 -10.658
  383   HG21  THR  50          1HG2      THR  50   5.925   5.234  -7.778
  384   HG22  THR  50          2HG2      THR  50   5.036   3.822  -8.349
  385   HG23  THR  50          3HG2      THR  50   4.200   5.356  -8.120
  386    H    CYS  51           HN       CYS  51   6.158   7.100  -8.040
  387    HA   CYS  51           HA       CYS  51   6.541   9.665  -9.358
  388    HB2  CYS  51          2HB       CYS  51   5.442  10.605  -7.365
  389    HB3  CYS  51          3HB       CYS  51   4.484   9.318  -8.088
  390    H    ARG  52           HN       ARG  52   8.171   7.613  -7.152
  391    HA   ARG  52           HA       ARG  52  10.158   7.788  -6.059
  392    HB2  ARG  52          2HB       ARG  52  10.325   9.927  -8.110
  393    HB3  ARG  52          3HB       ARG  52  11.475  10.015  -6.781
  394    HG2  ARG  52          2HG       ARG  52  11.586   7.369  -7.550
  395    HG3  ARG  52          3HG       ARG  52  11.413   8.243  -9.074
  396    HD2  ARG  52          2HD       ARG  52  13.258   9.739  -7.658
  397    HD3  ARG  52          3HD       ARG  52  13.682   8.073  -7.267
  398    HE   ARG  52           HE       ARG  52  14.534   7.890  -9.367
  399   HH11  ARG  52          1HH1      ARG  52  12.119  10.398  -9.383
  400   HH12  ARG  52          2HH1      ARG  52  12.380  10.819 -11.044
  401   HH21  ARG  52          1HH2      ARG  52  14.887   8.435 -11.554
  402   HH22  ARG  52          2HH2      ARG  52  13.954   9.700 -12.277
  403    H    MET  53           HN       MET  53   7.955   8.631  -4.672
  404    HA   MET  53           HA       MET  53   8.788  11.101  -3.320
  405    HB2  MET  53          2HB       MET  53   6.577  11.362  -2.566
  406    HB3  MET  53          3HB       MET  53   6.412  10.797  -4.222
  407    HG2  MET  53          2HG       MET  53   4.927   9.392  -3.300
  408    HG3  MET  53          3HG       MET  53   6.370   8.445  -2.944
  409    HE1  MET  53          1HE       MET  53   3.284  10.194  -0.434
  410    HE2  MET  53          2HE       MET  53   4.409  11.548  -0.544
  411    HE3  MET  53          3HE       MET  53   3.791  10.793  -2.014
  412    H    ASP  54           HN       ASP  54   9.661  11.028  -1.354
  413    HA   ASP  54           HA       ASP  54  10.552   8.753  -0.110
  414    HB2  ASP  54          2HB       ASP  54  11.554  10.617   0.770
  415    HB3  ASP  54          3HB       ASP  54  10.056  11.542   0.797
  416    H    VAL  55           HN       VAL  55   9.664   7.166   1.040
  417    HA   VAL  55           HA       VAL  55   7.080   7.627   2.358
  418    HB   VAL  55           HB       VAL  55   6.410   5.289   1.649
  419   HG11  VAL  55          1HG1      VAL  55   5.389   6.039  -0.343
  420   HG12  VAL  55          2HG1      VAL  55   5.569   7.471   0.672
  421   HG13  VAL  55          3HG1      VAL  55   6.685   7.190  -0.664
  422   HG21  VAL  55          1HG2      VAL  55   8.980   5.511   0.307
  423   HG22  VAL  55          2HG2      VAL  55   8.007   4.083   0.656
  424   HG23  VAL  55          3HG2      VAL  55   7.679   5.043  -0.786
  425    H    LEU  56           HN       LEU  56   9.906   5.524   1.999
  426    HA   LEU  56           HA       LEU  56   9.425   4.027   4.370
  427    HB2  LEU  56          2HB       LEU  56  10.800   2.906   2.917
  428    HB3  LEU  56          3HB       LEU  56  11.690   4.359   2.470
  429    HG   LEU  56           HG       LEU  56  13.044   4.245   4.399
  430   HD11  LEU  56          1HD1      LEU  56  10.857   2.545   5.436
  431   HD12  LEU  56          2HD1      LEU  56  11.830   3.769   6.250
  432   HD13  LEU  56          3HD1      LEU  56  12.493   2.159   5.970
  433   HD21  LEU  56          1HD2      LEU  56  13.698   2.672   2.681
  434   HD22  LEU  56          2HD2      LEU  56  12.609   1.452   3.344
  435   HD23  LEU  56          3HD2      LEU  56  14.012   1.983   4.274
  Start of MODEL   15
    1    H1   ALA   1           HN       ALA   1  -4.486  -3.095   0.628
    2    HA   ALA   1           HA       ALA   1  -5.983  -1.625  -0.611
    3    HB1  ALA   1          1HB       ALA   1  -5.661  -2.583  -2.945
    4    HB2  ALA   1          2HB       ALA   1  -4.204  -2.306  -1.987
    5    HB3  ALA   1          3HB       ALA   1  -4.851  -3.938  -2.157
    6    H    THR   2           HN       THR   2  -7.609  -1.831  -2.556
    7    HA   THR   2           HA       THR   2  -9.666  -3.821  -1.868
    8    HB   THR   2           HB       THR   2 -11.165  -2.268  -1.318
    9    HG1  THR   2          1HG       THR   2 -11.979  -1.060  -2.892
   10   HG21  THR   2          1HG2      THR   2  -9.426  -1.098  -0.203
   11   HG22  THR   2          2HG2      THR   2 -10.373   0.121  -1.055
   12   HG23  THR   2          3HG2      THR   2  -8.826  -0.412  -1.711
   13    HA   PRO   3           HA       PRO   3 -10.161  -4.615  -6.156
   14    HB2  PRO   3          2HB       PRO   3 -12.852  -4.807  -6.451
   15    HB3  PRO   3          3HB       PRO   3 -11.888  -6.032  -5.619
   16    HG2  PRO   3          2HG       PRO   3 -13.527  -3.808  -4.468
   17    HG3  PRO   3          3HG       PRO   3 -13.400  -5.495  -3.937
   18    HD2  PRO   3          2HD       PRO   3 -12.070  -3.479  -2.713
   19    HD3  PRO   3          3HD       PRO   3 -11.418  -5.126  -2.820
   20    H    GLU   4           HN       GLU   4 -11.890  -1.881  -4.838
   21    HA   GLU   4           HA       GLU   4 -12.556  -0.775  -7.419
   22    HB2  GLU   4          2HB       GLU   4 -13.716  -0.468  -5.046
   23    HB3  GLU   4          3HB       GLU   4 -12.599   0.887  -4.945
   24    HG2  GLU   4          2HG       GLU   4 -13.678   1.191  -7.444
   25    HG3  GLU   4          3HG       GLU   4 -15.039   0.579  -6.506
   26    H    GLU   5           HN       GLU   5 -10.316   0.067  -4.784
   27    HA   GLU   5           HA       GLU   5  -9.113   2.232  -6.164
   28    HB2  GLU   5          2HB       GLU   5  -8.001   0.567  -3.899
   29    HB3  GLU   5          3HB       GLU   5  -7.395   2.133  -4.418
   30    HG2  GLU   5          2HG       GLU   5 -10.254   1.984  -3.685
   31    HG3  GLU   5          3HG       GLU   5  -9.079   1.828  -2.379
   32    H    LEU   6           HN       LEU   6  -8.402  -1.201  -5.945
   33    HA   LEU   6           HA       LEU   6  -5.845  -1.128  -7.136
   34    HB2  LEU   6          2HB       LEU   6  -7.916  -3.230  -6.704
   35    HB3  LEU   6          3HB       LEU   6  -6.554  -3.573  -7.767
   36    HG   LEU   6           HG       LEU   6  -6.212  -2.662  -4.918
   37   HD11  LEU   6          1HD1      LEU   6  -6.535  -5.433  -6.033
   38   HD12  LEU   6          2HD1      LEU   6  -7.399  -4.679  -4.693
   39   HD13  LEU   6          3HD1      LEU   6  -5.699  -5.113  -4.513
   40   HD21  LEU   6          1HD2      LEU   6  -4.202  -4.363  -6.173
   41   HD22  LEU   6          2HD2      LEU   6  -4.015  -2.857  -5.276
   42   HD23  LEU   6          3HD2      LEU   6  -4.422  -2.816  -6.991
   43    H    GLN   7           HN       GLN   7  -9.052  -1.834  -8.516
   44    HA   GLN   7           HA       GLN   7  -8.122  -2.094 -11.180
   45    HB2  GLN   7          2HB       GLN   7 -10.540  -2.480  -9.834
   46    HB3  GLN   7          3HB       GLN   7 -10.877  -1.212 -11.004
   47    HG2  GLN   7          2HG       GLN   7  -9.355  -3.333 -12.211
   48    HG3  GLN   7          3HG       GLN   7 -10.818  -3.958 -11.452
   49   HE21  GLN   7          1HE2      GLN   7 -11.660  -4.461 -13.500
   50   HE22  GLN   7          2HE2      GLN   7 -12.307  -3.237 -14.533
   51    H    ALA   8           HN       ALA   8  -8.468   0.598  -9.202
   52    HA   ALA   8           HA       ALA   8  -9.044   2.461 -11.364
   53    HB1  ALA   8          1HB       ALA   8  -8.264   3.425  -8.669
   54    HB2  ALA   8          2HB       ALA   8  -9.509   4.017  -9.769
   55    HB3  ALA   8          3HB       ALA   8  -9.792   2.557  -8.821
   56    H    MET   9           HN       MET   9  -6.449   0.787 -10.824
   57    HA   MET   9           HA       MET   9  -4.666   2.862 -11.766
   58    HB2  MET   9          2HB       MET   9  -2.954   2.462 -10.068
   59    HB3  MET   9          3HB       MET   9  -4.435   3.059  -9.333
   60    HG2  MET   9          2HG       MET   9  -4.721   1.209  -8.122
   61    HG3  MET   9          3HG       MET   9  -4.285   0.150  -9.461
   62    HE1  MET   9          1HE       MET   9  -2.265  -1.048  -9.720
   63    HE2  MET   9          2HE       MET   9  -1.348   0.363 -10.245
   64    HE3  MET   9          3HE       MET   9  -0.694  -0.702  -9.000
   65    H    ASP  10           HN       ASP  10  -5.867   0.292 -12.666
   66    HA   ASP  10           HA       ASP  10  -5.173  -1.313 -14.153
   67    HB2  ASP  10          2HB       ASP  10  -3.142   0.316 -14.408
   68    HB3  ASP  10          3HB       ASP  10  -2.296  -0.877 -13.427
   69    H    ASN  11           HN       ASN  11  -4.508  -1.165 -10.877
   70    HA   ASN  11           HA       ASN  11  -3.947  -2.699  -9.270
   71    HB2  ASN  11          2HB       ASN  11  -5.454  -4.474  -9.173
   72    HB3  ASN  11          3HB       ASN  11  -6.279  -3.339 -10.236
   73   HD21  ASN  11          1HD2      ASN  11  -4.843  -6.427  -9.933
   74   HD22  ASN  11          2HD2      ASN  11  -5.171  -6.986 -11.535
   75    H    VAL  12           HN       VAL  12  -2.007  -2.474 -11.408
   76    HA   VAL  12           HA       VAL  12  -0.885  -5.201 -11.337
   77    HB   VAL  12           HB       VAL  12  -0.908  -3.173 -13.533
   78   HG11  VAL  12          1HG1      VAL  12   0.929  -4.908 -14.468
   79   HG12  VAL  12          2HG1      VAL  12   1.335  -3.375 -13.694
   80   HG13  VAL  12          3HG1      VAL  12   1.374  -4.871 -12.762
   81   HG21  VAL  12          1HG2      VAL  12  -0.843  -5.914 -14.345
   82   HG22  VAL  12          2HG2      VAL  12  -2.047  -5.709 -13.073
   83   HG23  VAL  12          3HG2      VAL  12  -2.135  -4.729 -14.538
   84    H    CYS  13           HN       CYS  13   1.029  -5.429 -10.375
   85    HA   CYS  13           HA       CYS  13   2.258  -3.313  -8.988
   86    HB2  CYS  13          2HB       CYS  13   2.473  -5.615  -8.237
   87    HB3  CYS  13          3HB       CYS  13   3.329  -6.046  -9.714
   88    H    ILE  14           HN       ILE  14   3.282  -1.663  -9.901
   89    HA   ILE  14           HA       ILE  14   4.339  -1.671 -12.514
   90    HB   ILE  14           HB       ILE  14   3.636   0.334 -11.023
   91   HG12  ILE  14          2HG1      ILE  14   4.376   0.634 -13.297
   92   HG13  ILE  14          3HG1      ILE  14   5.187   1.832 -12.293
   93   HG21  ILE  14          1HG2      ILE  14   5.190  -0.136  -9.197
   94   HG22  ILE  14          2HG2      ILE  14   6.552   0.110 -10.288
   95   HG23  ILE  14          3HG2      ILE  14   5.484   1.456  -9.893
   96   HD11  ILE  14          1HD1      ILE  14   6.294  -0.489 -13.752
   97   HD12  ILE  14          2HD1      ILE  14   6.953   1.130 -13.518
   98   HD13  ILE  14          3HD1      ILE  14   7.044  -0.056 -12.216
   99    H    ILE  15           HN       ILE  15   5.915  -1.885  -9.338
  100    HA   ILE  15           HA       ILE  15   8.531  -1.776  -9.818
  101    HB   ILE  15           HB       ILE  15   7.185  -4.009  -8.294
  102   HG12  ILE  15          2HG1      ILE  15   8.550  -1.686  -7.011
  103   HG13  ILE  15          3HG1      ILE  15   6.966  -1.419  -7.731
  104   HG21  ILE  15          1HG2      ILE  15   9.273  -4.887  -8.414
  105   HG22  ILE  15          2HG2      ILE  15  10.033  -3.326  -8.714
  106   HG23  ILE  15          3HG2      ILE  15   9.547  -3.770  -7.078
  107   HD11  ILE  15          1HD1      ILE  15   6.380  -3.579  -6.318
  108   HD12  ILE  15          2HD1      ILE  15   7.728  -2.990  -5.345
  109   HD13  ILE  15          3HD1      ILE  15   6.328  -1.957  -5.630
  110    H    CYS  16           HN       CYS  16   6.654  -4.746 -10.440
  111    HA   CYS  16           HA       CYS  16   8.792  -5.603 -12.276
  112    HB2  CYS  16          2HB       CYS  16   7.970  -7.900 -11.920
  113    HB3  CYS  16          3HB       CYS  16   8.466  -7.142 -10.410
  114    H    ARG  17           HN       ARG  17   5.828  -4.210 -12.280
  115    HA   ARG  17           HA       ARG  17   4.108  -4.023 -13.766
  116    HB2  ARG  17          2HB       ARG  17   6.462  -4.634 -15.540
  117    HB3  ARG  17          3HB       ARG  17   4.866  -4.312 -16.207
  118    HG2  ARG  17          2HG       ARG  17   5.132  -2.197 -14.558
  119    HG3  ARG  17          3HG       ARG  17   6.817  -2.478 -14.998
  120    HD2  ARG  17          2HD       ARG  17   4.544  -2.171 -16.956
  121    HD3  ARG  17          3HD       ARG  17   5.671  -0.891 -16.508
  122    HE   ARG  17           HE       ARG  17   6.158  -3.080 -18.304
  123   HH11  ARG  17          1HH1      ARG  17   7.622  -0.757 -16.164
  124   HH12  ARG  17          2HH1      ARG  17   9.160  -0.798 -16.960
  125   HH21  ARG  17          1HH2      ARG  17   8.178  -3.143 -19.360
  126   HH22  ARG  17          2HH2      ARG  17   9.475  -2.154 -18.779
  127    H    GLU  18           HN       GLU  18   3.574  -6.202 -12.533
  128    HA   GLU  18           HA       GLU  18   3.154  -8.286 -14.574
  129    HB2  GLU  18          2HB       GLU  18   3.605  -8.482 -11.606
  130    HB3  GLU  18          3HB       GLU  18   2.851  -9.792 -12.506
  131    HG2  GLU  18          2HG       GLU  18   4.783 -10.210 -13.748
  132    HG3  GLU  18          3HG       GLU  18   5.498  -8.655 -13.326
  133    H    GLU  19           HN       GLU  19   1.619  -8.334 -11.455
  134    HA   GLU  19           HA       GLU  19  -0.787  -7.029 -12.143
  135    HB2  GLU  19          2HB       GLU  19  -0.531  -9.568 -13.303
  136    HB3  GLU  19          3HB       GLU  19  -1.604  -9.794 -11.929
  137    HG2  GLU  19          2HG       GLU  19  -2.914  -7.808 -12.822
  138    HG3  GLU  19          3HG       GLU  19  -1.970  -7.995 -14.301
  139    H    MET  20           HN       MET  20  -2.264  -6.973 -10.431
  140    HA   MET  20           HA       MET  20  -1.433  -8.383  -7.984
  141    HB2  MET  20          2HB       MET  20  -1.971  -5.474  -8.409
  142    HB3  MET  20          3HB       MET  20  -2.386  -6.194  -6.859
  143    HG2  MET  20          2HG       MET  20  -0.102  -6.891  -6.525
  144    HG3  MET  20          3HG       MET  20   0.340  -6.303  -8.126
  145    HE1  MET  20          1HE       MET  20   0.142  -2.629  -8.024
  146    HE2  MET  20          2HE       MET  20  -0.622  -4.013  -8.804
  147    HE3  MET  20          3HE       MET  20  -1.519  -3.062  -7.620
  148    H    VAL  21           HN       VAL  21  -3.022  -9.888  -7.891
  149    HA   VAL  21           HA       VAL  21  -5.808  -9.007  -8.169
  150    HB   VAL  21           HB       VAL  21  -6.240 -11.545  -8.052
  151   HG11  VAL  21          1HG1      VAL  21  -5.408 -11.757 -10.506
  152   HG12  VAL  21          2HG1      VAL  21  -6.651 -10.569 -10.108
  153   HG13  VAL  21          3HG1      VAL  21  -4.976 -10.058 -10.317
  154   HG21  VAL  21          1HG2      VAL  21  -3.432 -11.814  -9.024
  155   HG22  VAL  21          2HG2      VAL  21  -3.755 -11.841  -7.291
  156   HG23  VAL  21          3HG2      VAL  21  -4.509 -13.035  -8.347
  157    H    THR  22           HN       THR  22  -3.481  -9.963  -5.848
  158    HA   THR  22           HA       THR  22  -5.026  -9.298  -3.636
  159    HB   THR  22           HB       THR  22  -6.403 -11.232  -4.077
  160    HG1  THR  22          1HG       THR  22  -5.981 -12.381  -2.080
  161   HG21  THR  22          1HG2      THR  22  -5.530 -13.007  -5.106
  162   HG22  THR  22          2HG2      THR  22  -4.719 -13.427  -3.597
  163   HG23  THR  22          3HG2      THR  22  -3.891 -12.434  -4.796
  164    H    GLY  23           HN       GLY  23  -3.777  -9.171  -1.823
  165    HA2  GLY  23          1HA       GLY  23  -2.002  -9.804  -0.391
  166    HA3  GLY  23          2HA       GLY  23  -1.276 -10.690  -1.724
  167    H    ALA  24           HN       ALA  24  -2.286  -7.315  -1.158
  168    HA   ALA  24           HA       ALA  24   0.446  -6.412  -1.515
  169    HB1  ALA  24          1HB       ALA  24  -0.110  -6.441  -3.798
  170    HB2  ALA  24          2HB       ALA  24  -1.723  -5.792  -3.498
  171    HB3  ALA  24          3HB       ALA  24  -0.307  -4.761  -3.298
  172    H    LYS  25           HN       LYS  25   0.646  -4.048  -1.167
  173    HA   LYS  25           HA       LYS  25  -1.408  -3.126   0.729
  174    HB2  LYS  25          2HB       LYS  25   1.448  -2.167   0.571
  175    HB3  LYS  25          3HB       LYS  25   0.293  -1.894   1.870
  176    HG2  LYS  25          2HG       LYS  25   1.475  -4.557   1.106
  177    HG3  LYS  25          3HG       LYS  25   1.970  -3.560   2.477
  178    HD2  LYS  25          2HD       LYS  25  -0.827  -3.861   2.659
  179    HD3  LYS  25          3HD       LYS  25  -0.167  -5.459   2.299
  180    HE2  LYS  25          2HE       LYS  25   1.050  -5.542   4.249
  181    HE3  LYS  25          3HE       LYS  25   1.142  -3.787   4.392
  182    HZ1  LYS  25          1HZ       LYS  25  -0.422  -5.180   5.931
  183    HZ2  LYS  25          2HZ       LYS  25  -1.483  -5.070   4.617
  184    HZ3  LYS  25          3HZ       LYS  25  -0.904  -3.662   5.357
  185    H    ARG  26           HN       ARG  26  -1.342  -0.617   0.940
  186    HA   ARG  26           HA       ARG  26  -1.234   0.562  -1.756
  187    HB2  ARG  26          2HB       ARG  26  -3.569   0.088  -1.041
  188    HB3  ARG  26          3HB       ARG  26  -3.325   1.135   0.351
  189    HG2  ARG  26          2HG       ARG  26  -2.744   2.950  -1.364
  190    HG3  ARG  26          3HG       ARG  26  -3.486   1.872  -2.547
  191    HD2  ARG  26          2HD       ARG  26  -4.990   3.639  -1.525
  192    HD3  ARG  26          3HD       ARG  26  -5.583   1.979  -1.480
  193    HE   ARG  26           HE       ARG  26  -4.158   2.777   0.889
  194   HH11  ARG  26          1HH1      ARG  26  -7.246   2.700  -0.719
  195   HH12  ARG  26          2HH1      ARG  26  -8.159   2.797   0.750
  196   HH21  ARG  26          1HH2      ARG  26  -5.350   2.904   2.829
  197   HH22  ARG  26          2HH2      ARG  26  -7.080   2.914   2.767
  198    H    LEU  27           HN       LEU  27  -0.211   2.468  -1.926
  199    HA   LEU  27           HA       LEU  27   1.030   3.560   0.463
  200    HB2  LEU  27          2HB       LEU  27   1.346   4.211  -2.462
  201    HB3  LEU  27          3HB       LEU  27   2.232   5.017  -1.169
  202    HG   LEU  27           HG       LEU  27   2.405   2.071  -1.799
  203   HD11  LEU  27          1HD1      LEU  27   4.438   2.486  -2.901
  204   HD12  LEU  27          2HD1      LEU  27   4.500   4.155  -2.336
  205   HD13  LEU  27          3HD1      LEU  27   3.310   3.678  -3.547
  206   HD21  LEU  27          1HD2      LEU  27   4.633   2.750  -0.398
  207   HD22  LEU  27          2HD2      LEU  27   3.185   2.027   0.303
  208   HD23  LEU  27          3HD2      LEU  27   3.416   3.775   0.362
  209    HA   PRO  28           HA       PRO  28  -1.657   6.992   0.992
  210    HB2  PRO  28          2HB       PRO  28   0.077   8.871   1.905
  211    HB3  PRO  28          3HB       PRO  28  -0.447   7.492   2.880
  212    HG2  PRO  28          2HG       PRO  28   2.083   7.859   1.321
  213    HG3  PRO  28          3HG       PRO  28   1.857   7.184   2.945
  214    HD2  PRO  28          2HD       PRO  28   2.201   5.629   0.754
  215    HD3  PRO  28          3HD       PRO  28   1.204   5.126   2.136
  216    H    CYS  29           HN       CYS  29   0.523   6.831  -1.473
  217    HA   CYS  29           HA       CYS  29  -0.034   9.554  -2.432
  218    HB2  CYS  29          2HB       CYS  29   1.782   9.020  -4.120
  219    HB3  CYS  29          3HB       CYS  29   2.308   9.143  -2.444
  220    H    ASN  30           HN       ASN  30  -1.336   6.586  -2.628
  221    HA   ASN  30           HA       ASN  30  -3.041   5.837  -3.982
  222    HB2  ASN  30          2HB       ASN  30  -3.067   8.376  -4.724
  223    HB3  ASN  30          3HB       ASN  30  -2.337   7.726  -6.189
  224   HD21  ASN  30          1HD2      ASN  30  -5.007   8.932  -5.564
  225   HD22  ASN  30          2HD2      ASN  30  -6.151   7.795  -6.181
  226    H    HIS  31           HN       HIS  31  -0.599   4.613  -3.870
  227    HA   HIS  31           HA       HIS  31  -0.424   3.459  -6.550
  228    HB2  HIS  31          2HB       HIS  31   1.936   4.501  -4.976
  229    HB3  HIS  31          3HB       HIS  31   2.088   3.407  -6.347
  230    HD2  HIS  31          2HD       HIS  31   0.373   4.762  -8.616
  231    HE1  HIS  31          1HE       HIS  31   2.292   8.406  -7.597
  232    HE2  HIS  31          2HE       HIS  31   0.883   7.203  -9.303
  233    H    ILE  32           HN       ILE  32  -0.710   1.345  -6.370
  234    HA   ILE  32           HA       ILE  32   0.042   0.027  -3.848
  235    HB   ILE  32           HB       ILE  32  -1.996  -0.758  -5.931
  236   HG12  ILE  32          2HG1      ILE  32  -2.774  -0.557  -3.110
  237   HG13  ILE  32          3HG1      ILE  32  -2.216   0.965  -3.797
  238   HG21  ILE  32          1HG2      ILE  32  -1.616  -2.868  -5.324
  239   HG22  ILE  32          2HG2      ILE  32  -0.564  -2.377  -3.998
  240   HG23  ILE  32          3HG2      ILE  32  -2.311  -2.440  -3.760
  241   HD11  ILE  32          1HD1      ILE  32  -3.870   0.807  -5.554
  242   HD12  ILE  32          2HD1      ILE  32  -4.399  -0.760  -4.940
  243   HD13  ILE  32          3HD1      ILE  32  -4.638   0.694  -3.971
  244    H    PHE  33           HN       PHE  33   1.303  -1.793  -3.846
  245    HA   PHE  33           HA       PHE  33   2.139  -2.985  -6.360
  246    HB2  PHE  33          2HB       PHE  33   4.223  -1.895  -4.465
  247    HB3  PHE  33          3HB       PHE  33   4.486  -2.616  -6.050
  248    HD1  PHE  33          1HD       PHE  33   3.233  -1.380  -8.023
  249    HD2  PHE  33          2HD       PHE  33   4.251   0.390  -4.289
  250    HE1  PHE  33          1HE       PHE  33   3.122   0.850  -9.055
  251    HE2  PHE  33          2HE       PHE  33   4.142   2.624  -5.315
  252    HZ   PHE  33           HZ       PHE  33   3.575   2.856  -7.700
  253    H    HIS  34           HN       HIS  34   3.538  -4.909  -5.997
  254    HA   HIS  34           HA       HIS  34   2.401  -6.699  -4.223
  255    HB2  HIS  34          2HB       HIS  34   5.093  -6.701  -5.581
  256    HB3  HIS  34          3HB       HIS  34   4.537  -8.051  -4.597
  257    HD2  HIS  34          2HD       HIS  34   1.405  -8.006  -5.830
  258    HE1  HIS  34          1HE       HIS  34   3.424  -8.872  -9.459
  259    HE2  HIS  34          2HE       HIS  34   1.201  -8.813  -8.278
  260    H    THR  35           HN       THR  35   2.611  -7.109  -2.117
  261    HA   THR  35           HA       THR  35   3.941  -5.403  -0.367
  262    HB   THR  35           HB       THR  35   3.120  -8.267   0.153
  263    HG1  THR  35          1HG       THR  35   1.149  -7.465   0.590
  264   HG21  THR  35          1HG2      THR  35   2.847  -6.685   2.456
  265   HG22  THR  35          2HG2      THR  35   4.438  -6.307   1.795
  266   HG23  THR  35          3HG2      THR  35   4.014  -7.977   2.174
  267    H    SER  36           HN       SER  36   5.184  -7.938  -2.268
  268    HA   SER  36           HA       SER  36   7.522  -8.324  -0.559
  269    HB2  SER  36          2HB       SER  36   6.185 -10.159  -1.943
  270    HB3  SER  36          3HB       SER  36   7.279  -9.642  -3.226
  271    HG   SER  36           HG       SER  36   8.988  -9.993  -1.590
  272    H    CYS  37           HN       CYS  37   6.606  -6.997  -3.685
  273    HA   CYS  37           HA       CYS  37   9.238  -6.470  -4.602
  274    HB2  CYS  37          2HB       CYS  37   6.548  -5.325  -5.358
  275    HB3  CYS  37          3HB       CYS  37   8.045  -4.854  -6.158
  276    H    LEU  38           HN       LEU  38   7.063  -4.803  -2.473
  277    HA   LEU  38           HA       LEU  38   8.464  -2.288  -2.598
  278    HB2  LEU  38          2HB       LEU  38   6.236  -3.381  -0.920
  279    HB3  LEU  38          3HB       LEU  38   7.012  -1.853  -0.509
  280    HG   LEU  38           HG       LEU  38   5.503  -2.481  -3.045
  281   HD11  LEU  38          1HD1      LEU  38   4.167  -2.111  -0.965
  282   HD12  LEU  38          2HD1      LEU  38   3.866  -0.943  -2.252
  283   HD13  LEU  38          3HD1      LEU  38   4.870  -0.496  -0.873
  284   HD21  LEU  38          1HD2      LEU  38   5.983   0.271  -2.804
  285   HD22  LEU  38          2HD2      LEU  38   6.646  -0.839  -4.004
  286   HD23  LEU  38          3HD2      LEU  38   7.531  -0.522  -2.510
  287    H    ARG  39           HN       ARG  39   8.342  -5.069  -0.434
  288    HA   ARG  39           HA       ARG  39   9.851  -4.021   1.677
  289    HB2  ARG  39          2HB       ARG  39   9.747  -6.886   0.716
  290    HB3  ARG  39          3HB       ARG  39  10.279  -6.347   2.303
  291    HG2  ARG  39          2HG       ARG  39   7.586  -5.466   1.535
  292    HG3  ARG  39          3HG       ARG  39   7.783  -7.209   1.732
  293    HD2  ARG  39          2HD       ARG  39   8.251  -5.032   3.746
  294    HD3  ARG  39          3HD       ARG  39   7.150  -6.404   3.851
  295    HE   ARG  39           HE       ARG  39   9.886  -6.359   4.607
  296   HH11  ARG  39          1HH1      ARG  39   7.431  -8.396   3.216
  297   HH12  ARG  39          2HH1      ARG  39   8.166  -9.871   3.752
  298   HH21  ARG  39          1HH2      ARG  39  10.864  -8.293   5.319
  299   HH22  ARG  39          2HH2      ARG  39  10.118  -9.811   4.948
  300    H    SER  40           HN       SER  40  10.846  -5.659  -1.293
  301    HA   SER  40           HA       SER  40  13.649  -5.495  -0.579
  302    HB2  SER  40          2HB       SER  40  12.089  -7.045  -2.392
  303    HB3  SER  40          3HB       SER  40  13.305  -6.176  -3.329
  304    HG   SER  40           HG       SER  40  13.644  -8.069  -1.282
  305    H    TRP  41           HN       TRP  41  11.402  -3.943  -2.810
  306    HA   TRP  41           HA       TRP  41  13.280  -2.413  -4.237
  307    HB2  TRP  41          2HB       TRP  41  11.029  -2.691  -5.078
  308    HB3  TRP  41          3HB       TRP  41  10.358  -1.896  -3.656
  309    HD1  TRP  41          1HD       TRP  41  11.049   0.808  -3.412
  310    HE1  TRP  41          1HE       TRP  41  11.266   2.571  -5.276
  311    HE3  TRP  41          3HE       TRP  41  11.596  -2.313  -7.423
  312    HZ2  TRP  41          2HZ       TRP  41  11.622   2.630  -8.075
  313    HZ3  TRP  41          3HZ       TRP  41  11.869  -1.324  -9.659
  314    HH2  TRP  41          2HH       TRP  41  11.881   1.097  -9.976
  315    H    PHE  42           HN       PHE  42  11.412  -1.703  -1.310
  316    HA   PHE  42           HA       PHE  42  12.314   0.963  -1.020
  317    HB2  PHE  42          2HB       PHE  42  11.070  -1.027   0.862
  318    HB3  PHE  42          3HB       PHE  42  11.607   0.551   1.432
  319    HD1  PHE  42          1HD       PHE  42  10.871   2.321  -0.751
  320    HD2  PHE  42          2HD       PHE  42   8.765  -0.990   0.899
  321    HE1  PHE  42          1HE       PHE  42   8.742   3.311  -1.489
  322    HE2  PHE  42          2HE       PHE  42   6.634  -0.005   0.164
  323    HZ   PHE  42           HZ       PHE  42   6.621   2.147  -1.033
  324    H    GLN  43           HN       GLN  43  13.791  -2.063  -0.406
  325    HA   GLN  43           HA       GLN  43  15.713  -0.993   1.492
  326    HB2  GLN  43          2HB       GLN  43  15.256  -3.718   0.300
  327    HB3  GLN  43          3HB       GLN  43  16.697  -3.353   1.239
  328    HG2  GLN  43          2HG       GLN  43  14.159  -2.601   2.507
  329    HG3  GLN  43          3HG       GLN  43  14.403  -4.330   2.271
  330   HE21  GLN  43          1HE2      GLN  43  16.577  -5.142   2.985
  331   HE22  GLN  43          2HE2      GLN  43  17.200  -4.511   4.468
  332    H    ARG  44           HN       ARG  44  15.352  -1.056  -1.825
  333    HA   ARG  44           HA       ARG  44  18.247  -0.679  -2.206
  334    HB2  ARG  44          2HB       ARG  44  16.360  -1.897  -4.228
  335    HB3  ARG  44          3HB       ARG  44  18.100  -1.702  -4.394
  336    HG2  ARG  44          2HG       ARG  44  16.871  -3.370  -2.223
  337    HG3  ARG  44          3HG       ARG  44  17.257  -4.016  -3.819
  338    HD2  ARG  44          2HD       ARG  44  19.436  -2.502  -2.589
  339    HD3  ARG  44          3HD       ARG  44  18.963  -3.936  -1.681
  340    HE   ARG  44           HE       ARG  44  19.346  -4.386  -4.502
  341   HH11  ARG  44          1HH1      ARG  44  20.846  -4.305  -1.361
  342   HH12  ARG  44          2HH1      ARG  44  22.149  -5.355  -1.812
  343   HH21  ARG  44          1HH2      ARG  44  21.056  -5.769  -5.108
  344   HH22  ARG  44          2HH2      ARG  44  22.268  -6.187  -3.944
  345    H    GLN  45           HN       GLN  45  15.165   0.626  -2.424
  346    HA   GLN  45           HA       GLN  45  16.140   2.758  -4.207
  347    HB2  GLN  45          2HB       GLN  45  13.361   1.585  -4.046
  348    HB3  GLN  45          3HB       GLN  45  13.749   3.069  -4.906
  349    HG2  GLN  45          2HG       GLN  45  14.373   0.254  -5.594
  350    HG3  GLN  45          3HG       GLN  45  13.828   1.579  -6.621
  351   HE21  GLN  45          1HE2      GLN  45  16.229  -0.424  -6.400
  352   HE22  GLN  45          2HE2      GLN  45  17.575   0.575  -6.817
  353    H    GLN  46           HN       GLN  46  13.410   2.180  -1.981
  354    HA   GLN  46           HA       GLN  46  12.834   3.290  -0.047
  355    HB2  GLN  46          2HB       GLN  46  15.431   3.869  -0.083
  356    HB3  GLN  46          3HB       GLN  46  14.818   5.470  -0.475
  357    HG2  GLN  46          2HG       GLN  46  14.405   5.845   1.659
  358    HG3  GLN  46          3HG       GLN  46  13.302   4.469   1.698
  359   HE21  GLN  46          1HE2      GLN  46  15.922   5.762   3.133
  360   HE22  GLN  46          2HE2      GLN  46  16.655   4.334   3.772
  361    H    THR  47           HN       THR  47  12.136   3.901  -2.938
  362    HA   THR  47           HA       THR  47  10.474   6.198  -2.347
  363    HB   THR  47           HB       THR  47  11.539   6.752  -4.928
  364    HG1  THR  47          1HG       THR  47  13.390   5.563  -3.857
  365   HG21  THR  47          1HG2      THR  47  10.506   8.236  -3.066
  366   HG22  THR  47          2HG2      THR  47  11.775   8.909  -4.089
  367   HG23  THR  47          3HG2      THR  47  12.160   8.341  -2.464
  368    H    CYS  48           HN       CYS  48   8.566   6.125  -3.411
  369    HA   CYS  48           HA       CYS  48   7.433   3.943  -4.430
  370    HB2  CYS  48          2HB       CYS  48   6.709   6.589  -4.344
  371    HB3  CYS  48          3HB       CYS  48   6.724   6.270  -6.076
  372    HA   PRO  49           HA       PRO  49   9.622   2.795  -8.092
  373    HB2  PRO  49          2HB       PRO  49   7.829   0.987  -9.031
  374    HB3  PRO  49          3HB       PRO  49   8.895   0.658  -7.661
  375    HG2  PRO  49          2HG       PRO  49   6.020   1.495  -7.666
  376    HG3  PRO  49          3HG       PRO  49   6.828   0.272  -6.667
  377    HD2  PRO  49          2HD       PRO  49   6.258   2.756  -5.751
  378    HD3  PRO  49          3HD       PRO  49   7.682   1.843  -5.211
  379    H    THR  50           HN       THR  50   6.971   4.729  -7.971
  380    HA   THR  50           HA       THR  50   6.949   5.058 -10.894
  381    HB   THR  50           HB       THR  50   4.873   3.925 -10.293
  382    HG1  THR  50          1HG       THR  50   4.250   6.653 -10.780
  383   HG21  THR  50          1HG2      THR  50   3.325   4.735  -8.720
  384   HG22  THR  50          2HG2      THR  50   4.118   6.308  -8.622
  385   HG23  THR  50          3HG2      THR  50   4.888   4.886  -7.918
  386    H    CYS  51           HN       CYS  51   5.923   6.578  -7.837
  387    HA   CYS  51           HA       CYS  51   6.479   9.207  -9.011
  388    HB2  CYS  51          2HB       CYS  51   5.070  10.149  -7.379
  389    HB3  CYS  51          3HB       CYS  51   4.262   8.655  -7.844
  390    H    ARG  52           HN       ARG  52   8.050   6.910  -7.268
  391    HA   ARG  52           HA       ARG  52   9.670   6.930  -5.613
  392    HB2  ARG  52          2HB       ARG  52  10.662   9.124  -7.439
  393    HB3  ARG  52          3HB       ARG  52  11.646   8.132  -6.372
  394    HG2  ARG  52          2HG       ARG  52   9.995   6.671  -8.325
  395    HG3  ARG  52          3HG       ARG  52  11.313   7.641  -8.988
  396    HD2  ARG  52          2HD       ARG  52  12.568   6.422  -6.923
  397    HD3  ARG  52          3HD       ARG  52  11.391   5.186  -7.365
  398    HE   ARG  52           HE       ARG  52  13.723   5.918  -8.821
  399   HH11  ARG  52          1HH1      ARG  52  10.448   4.797  -9.186
  400   HH12  ARG  52          2HH1      ARG  52  10.745   4.018 -10.704
  401   HH21  ARG  52          1HH2      ARG  52  14.128   4.897 -10.820
  402   HH22  ARG  52          2HH2      ARG  52  12.839   4.074 -11.632
  403    H    MET  53           HN       MET  53   8.071   7.879  -4.049
  404    HA   MET  53           HA       MET  53   9.048  10.498  -3.125
  405    HB2  MET  53          2HB       MET  53   6.257   9.521  -3.488
  406    HB3  MET  53          3HB       MET  53   6.590  10.560  -2.109
  407    HG2  MET  53          2HG       MET  53   7.664  12.149  -3.791
  408    HG3  MET  53          3HG       MET  53   6.863  11.179  -5.026
  409    HE1  MET  53          1HE       MET  53   4.526  10.343  -2.912
  410    HE2  MET  53          2HE       MET  53   3.206  11.493  -3.127
  411    HE3  MET  53          3HE       MET  53   3.904  10.680  -4.529
  412    H    ASP  54           HN       ASP  54  10.151  10.196  -1.311
  413    HA   ASP  54           HA       ASP  54  10.454   8.059   0.261
  414    HB2  ASP  54          2HB       ASP  54  11.674  10.107   0.689
  415    HB3  ASP  54          3HB       ASP  54  10.203  10.915   1.223
  416    H    VAL  55           HN       VAL  55   9.139   6.715   1.282
  417    HA   VAL  55           HA       VAL  55   6.622   7.777   2.393
  418    HB   VAL  55           HB       VAL  55   5.659   5.522   2.072
  419   HG11  VAL  55          1HG1      VAL  55   4.861   6.309   0.156
  420   HG12  VAL  55          2HG1      VAL  55   6.177   7.484   0.119
  421   HG13  VAL  55          3HG1      VAL  55   6.370   5.918  -0.669
  422   HG21  VAL  55          1HG2      VAL  55   7.019   4.138   0.299
  423   HG22  VAL  55          2HG2      VAL  55   8.393   4.983   1.013
  424   HG23  VAL  55          3HG2      VAL  55   7.356   3.976   2.022
  425    H    LEU  56           HN       LEU  56   9.259   5.469   2.829
  426    HA   LEU  56           HA       LEU  56   8.450   4.379   5.275
  427    HB2  LEU  56          2HB       LEU  56  11.225   4.833   4.191
  428    HB3  LEU  56          3HB       LEU  56  10.847   3.831   5.591
  429    HG   LEU  56           HG       LEU  56  10.421   3.291   2.692
  430   HD11  LEU  56          1HD1      LEU  56  10.925   0.943   3.958
  431   HD12  LEU  56          2HD1      LEU  56  11.771   2.086   5.000
  432   HD13  LEU  56          3HD1      LEU  56  12.161   2.006   3.282
  433   HD21  LEU  56          1HD2      LEU  56   8.791   1.563   3.194
  434   HD22  LEU  56          2HD2      LEU  56   8.174   3.147   3.667
  435   HD23  LEU  56          3HD2      LEU  56   8.785   2.034   4.893
  Start of MODEL   16
    1    H1   ALA   1           HN       ALA   1  -4.680  -4.715  -0.364
    2    HA   ALA   1           HA       ALA   1  -6.079  -2.162  -0.609
    3    HB1  ALA   1          1HB       ALA   1  -4.216  -2.295  -2.046
    4    HB2  ALA   1          2HB       ALA   1  -4.656  -3.913  -2.594
    5    HB3  ALA   1          3HB       ALA   1  -5.630  -2.523  -3.077
    6    H    THR   2           HN       THR   2  -7.998  -1.930  -1.824
    7    HA   THR   2           HA       THR   2  -9.697  -4.309  -1.746
    8    HB   THR   2           HB       THR   2 -11.312  -2.932  -1.074
    9    HG1  THR   2          1HG       THR   2 -12.264  -1.738  -2.579
   10   HG21  THR   2          1HG2      THR   2  -9.282  -1.670  -0.184
   11   HG22  THR   2          2HG2      THR   2 -10.793  -0.765  -0.301
   12   HG23  THR   2          3HG2      THR   2  -9.536  -0.545  -1.518
   13    HA   PRO   3           HA       PRO   3 -10.035  -4.820  -6.091
   14    HB2  PRO   3          2HB       PRO   3 -12.681  -5.313  -6.440
   15    HB3  PRO   3          3HB       PRO   3 -11.578  -6.474  -5.692
   16    HG2  PRO   3          2HG       PRO   3 -13.484  -4.565  -4.394
   17    HG3  PRO   3          3HG       PRO   3 -13.153  -6.261  -3.995
   18    HD2  PRO   3          2HD       PRO   3 -12.087  -4.203  -2.598
   19    HD3  PRO   3          3HD       PRO   3 -11.236  -5.744  -2.825
   20    H    GLU   4           HN       GLU   4 -12.083  -2.424  -4.586
   21    HA   GLU   4           HA       GLU   4 -12.998  -1.228  -7.014
   22    HB2  GLU   4          2HB       GLU   4 -13.829  -1.070  -4.456
   23    HB3  GLU   4          3HB       GLU   4 -12.879   0.407  -4.545
   24    HG2  GLU   4          2HG       GLU   4 -14.279   1.387  -6.066
   25    HG3  GLU   4          3HG       GLU   4 -14.850  -0.157  -6.698
   26    H    GLU   5           HN       GLU   5 -10.536  -0.326  -4.607
   27    HA   GLU   5           HA       GLU   5  -9.628   1.953  -6.032
   28    HB2  GLU   5          2HB       GLU   5  -8.517   0.320  -3.770
   29    HB3  GLU   5          3HB       GLU   5  -7.556   1.593  -4.509
   30    HG2  GLU   5          2HG       GLU   5 -10.181   2.574  -3.911
   31    HG3  GLU   5          3HG       GLU   5  -9.466   1.838  -2.477
   32    H    LEU   6           HN       LEU   6  -8.438  -1.379  -5.784
   33    HA   LEU   6           HA       LEU   6  -6.110  -1.130  -7.274
   34    HB2  LEU   6          2HB       LEU   6  -7.971  -3.337  -6.625
   35    HB3  LEU   6          3HB       LEU   6  -6.859  -3.605  -7.965
   36    HG   LEU   6           HG       LEU   6  -5.887  -2.732  -5.260
   37   HD11  LEU   6          1HD1      LEU   6  -6.098  -4.767  -4.376
   38   HD12  LEU   6          2HD1      LEU   6  -5.577  -5.560  -5.863
   39   HD13  LEU   6          3HD1      LEU   6  -7.263  -5.082  -5.663
   40   HD21  LEU   6          1HD2      LEU   6  -4.410  -2.546  -7.260
   41   HD22  LEU   6          2HD2      LEU   6  -4.538  -4.293  -7.457
   42   HD23  LEU   6          3HD2      LEU   6  -3.794  -3.622  -6.005
   43    H    GLN   7           HN       GLN   7  -9.431  -1.268  -8.318
   44    HA   GLN   7           HA       GLN   7  -8.742  -1.672 -11.098
   45    HB2  GLN   7          2HB       GLN   7 -11.094  -1.915  -9.507
   46    HB3  GLN   7          3HB       GLN   7 -11.430  -0.777 -10.805
   47    HG2  GLN   7          2HG       GLN   7 -10.023  -3.173 -11.690
   48    HG3  GLN   7          3HG       GLN   7 -11.604  -3.497 -10.980
   49   HE21  GLN   7          1HE2      GLN   7 -11.766  -4.218 -13.343
   50   HE22  GLN   7          2HE2      GLN   7 -12.407  -3.049 -14.441
   51    H    ALA   8           HN       ALA   8  -7.655   0.666  -9.737
   52    HA   ALA   8           HA       ALA   8  -8.625   2.689 -11.616
   53    HB1  ALA   8          1HB       ALA   8  -8.548   4.416  -9.822
   54    HB2  ALA   8          2HB       ALA   8  -9.833   3.225  -9.619
   55    HB3  ALA   8          3HB       ALA   8  -8.366   3.116  -8.644
   56    H    MET   9           HN       MET   9  -6.169   0.921 -11.009
   57    HA   MET   9           HA       MET   9  -4.231   2.948 -11.715
   58    HB2  MET   9          2HB       MET   9  -2.660   2.414  -9.938
   59    HB3  MET   9          3HB       MET   9  -4.174   2.987  -9.252
   60    HG2  MET   9          2HG       MET   9  -4.470   1.108  -8.117
   61    HG3  MET   9          3HG       MET   9  -4.175   0.117  -9.544
   62    HE1  MET   9          1HE       MET   9  -0.835  -1.243  -9.270
   63    HE2  MET   9          2HE       MET   9  -2.311  -0.956 -10.192
   64    HE3  MET   9          3HE       MET   9  -0.974   0.191 -10.289
   65    H    ASP  10           HN       ASP  10  -5.525   0.380 -12.690
   66    HA   ASP  10           HA       ASP  10  -4.814  -1.164 -14.242
   67    HB2  ASP  10          2HB       ASP  10  -2.593   0.413 -14.075
   68    HB3  ASP  10          3HB       ASP  10  -1.961  -1.132 -13.513
   69    H    ASN  11           HN       ASN  11  -4.417  -1.177 -10.951
   70    HA   ASN  11           HA       ASN  11  -4.003  -2.782  -9.366
   71    HB2  ASN  11          2HB       ASN  11  -5.571  -4.472  -9.444
   72    HB3  ASN  11          3HB       ASN  11  -6.236  -3.365 -10.644
   73   HD21  ASN  11          1HD2      ASN  11  -4.858  -6.445 -10.061
   74   HD22  ASN  11          2HD2      ASN  11  -4.986  -7.055 -11.673
   75    H    VAL  12           HN       VAL  12  -1.954  -2.528 -11.495
   76    HA   VAL  12           HA       VAL  12  -0.807  -5.238 -11.300
   77    HB   VAL  12           HB       VAL  12  -0.737  -3.263 -13.550
   78   HG11  VAL  12          1HG1      VAL  12   1.132  -4.506 -14.554
   79   HG12  VAL  12          2HG1      VAL  12   1.602  -3.693 -13.060
   80   HG13  VAL  12          3HG1      VAL  12   1.303  -5.431 -13.063
   81   HG21  VAL  12          1HG2      VAL  12  -0.762  -6.151 -14.054
   82   HG22  VAL  12          2HG2      VAL  12  -2.146  -5.557 -13.137
   83   HG23  VAL  12          3HG2      VAL  12  -1.778  -4.873 -14.721
   84    H    CYS  13           HN       CYS  13   1.088  -5.419 -10.286
   85    HA   CYS  13           HA       CYS  13   2.251  -3.224  -8.942
   86    HB2  CYS  13          2HB       CYS  13   2.425  -5.483  -8.055
   87    HB3  CYS  13          3HB       CYS  13   3.339  -5.997  -9.470
   88    H    ILE  14           HN       ILE  14   3.364  -1.642  -9.862
   89    HA   ILE  14           HA       ILE  14   4.494  -1.767 -12.440
   90    HB   ILE  14           HB       ILE  14   3.801   0.303 -11.025
   91   HG12  ILE  14          2HG1      ILE  14   4.561   0.532 -13.290
   92   HG13  ILE  14          3HG1      ILE  14   5.428   1.717 -12.319
   93   HG21  ILE  14          1HG2      ILE  14   5.664   1.426  -9.917
   94   HG22  ILE  14          2HG2      ILE  14   5.317  -0.128  -9.162
   95   HG23  ILE  14          3HG2      ILE  14   6.701   0.036 -10.243
   96   HD11  ILE  14          1HD1      ILE  14   7.066   0.835 -13.693
   97   HD12  ILE  14          2HD1      ILE  14   7.276  -0.068 -12.191
   98   HD13  ILE  14          3HD1      ILE  14   6.438  -0.807 -13.556
   99    H    ILE  15           HN       ILE  15   5.972  -1.910  -9.213
  100    HA   ILE  15           HA       ILE  15   8.602  -1.876  -9.614
  101    HB   ILE  15           HB       ILE  15   7.193  -4.065  -8.082
  102   HG12  ILE  15          2HG1      ILE  15   8.440  -1.669  -6.811
  103   HG13  ILE  15          3HG1      ILE  15   6.880  -1.474  -7.603
  104   HG21  ILE  15          1HG2      ILE  15  10.003  -3.520  -8.552
  105   HG22  ILE  15          2HG2      ILE  15   9.599  -3.514  -6.835
  106   HG23  ILE  15          3HG2      ILE  15   9.231  -4.928  -7.822
  107   HD11  ILE  15          1HD1      ILE  15   6.351  -1.904  -5.384
  108   HD12  ILE  15          2HD1      ILE  15   6.132  -3.463  -6.179
  109   HD13  ILE  15          3HD1      ILE  15   7.587  -3.153  -5.232
  110    H    CYS  16           HN       CYS  16   6.658  -4.799 -10.240
  111    HA   CYS  16           HA       CYS  16   8.827  -5.753 -11.990
  112    HB2  CYS  16          2HB       CYS  16   8.041  -8.025 -11.553
  113    HB3  CYS  16          3HB       CYS  16   8.422  -7.205 -10.042
  114    H    ARG  17           HN       ARG  17   5.931  -4.284 -12.122
  115    HA   ARG  17           HA       ARG  17   4.209  -4.155 -13.618
  116    HB2  ARG  17          2HB       ARG  17   6.598  -4.807 -15.324
  117    HB3  ARG  17          3HB       ARG  17   5.016  -4.533 -16.041
  118    HG2  ARG  17          2HG       ARG  17   5.203  -2.355 -14.474
  119    HG3  ARG  17          3HG       ARG  17   6.907  -2.628 -14.839
  120    HD2  ARG  17          2HD       ARG  17   4.779  -2.564 -16.962
  121    HD3  ARG  17          3HD       ARG  17   5.629  -1.116 -16.427
  122    HE   ARG  17           HE       ARG  17   6.649  -3.189 -18.125
  123   HH11  ARG  17          1HH1      ARG  17   7.505  -0.710 -15.836
  124   HH12  ARG  17          2HH1      ARG  17   9.115  -0.519 -16.447
  125   HH21  ARG  17          1HH2      ARG  17   8.765  -2.947 -18.939
  126   HH22  ARG  17          2HH2      ARG  17   9.831  -1.792 -18.213
  127    H    GLU  18           HN       GLU  18   3.676  -6.316 -12.327
  128    HA   GLU  18           HA       GLU  18   3.286  -8.455 -14.315
  129    HB2  GLU  18          2HB       GLU  18   3.623  -8.548 -11.326
  130    HB3  GLU  18          3HB       GLU  18   2.906  -9.887 -12.211
  131    HG2  GLU  18          2HG       GLU  18   5.656  -8.756 -12.677
  132    HG3  GLU  18          3HG       GLU  18   5.286 -10.231 -11.785
  133    H    GLU  19           HN       GLU  19   1.643  -8.382 -11.251
  134    HA   GLU  19           HA       GLU  19  -0.728  -7.086 -12.058
  135    HB2  GLU  19          2HB       GLU  19  -0.465  -9.612 -13.196
  136    HB3  GLU  19          3HB       GLU  19  -1.523  -9.872 -11.816
  137    HG2  GLU  19          2HG       GLU  19  -3.223  -9.104 -12.990
  138    HG3  GLU  19          3HG       GLU  19  -2.424  -7.537 -13.109
  139    H    MET  20           HN       MET  20  -2.269  -6.986 -10.405
  140    HA   MET  20           HA       MET  20  -1.560  -8.364  -7.904
  141    HB2  MET  20          2HB       MET  20  -2.022  -5.441  -8.371
  142    HB3  MET  20          3HB       MET  20  -2.428  -6.148  -6.813
  143    HG2  MET  20          2HG       MET  20  -0.169  -6.830  -6.457
  144    HG3  MET  20          3HG       MET  20   0.281  -6.367  -8.096
  145    HE1  MET  20          1HE       MET  20  -0.641  -4.073  -8.911
  146    HE2  MET  20          2HE       MET  20  -1.545  -3.092  -7.757
  147    HE3  MET  20          3HE       MET  20   0.104  -2.643  -8.195
  148    H    VAL  21           HN       VAL  21  -3.206  -9.798  -7.808
  149    HA   VAL  21           HA       VAL  21  -5.919  -9.003  -8.451
  150    HB   VAL  21           HB       VAL  21  -6.359 -11.426  -7.570
  151   HG11  VAL  21          1HG1      VAL  21  -6.515 -10.674  -9.912
  152   HG12  VAL  21          2HG1      VAL  21  -4.787 -10.972 -10.105
  153   HG13  VAL  21          3HG1      VAL  21  -5.883 -12.314  -9.772
  154   HG21  VAL  21          1HG2      VAL  21  -3.434 -11.674  -8.233
  155   HG22  VAL  21          2HG2      VAL  21  -4.033 -11.545  -6.580
  156   HG23  VAL  21          3HG2      VAL  21  -4.513 -12.909  -7.587
  157    H    THR  22           HN       THR  22  -3.922  -9.342  -5.657
  158    HA   THR  22           HA       THR  22  -5.610  -7.990  -3.931
  159    HB   THR  22           HB       THR  22  -7.186  -9.785  -3.994
  160    HG1  THR  22          1HG       THR  22  -7.101  -9.167  -1.916
  161   HG21  THR  22          1HG2      THR  22  -4.930 -11.406  -4.404
  162   HG22  THR  22          2HG2      THR  22  -6.620 -11.912  -4.350
  163   HG23  THR  22          3HG2      THR  22  -5.642 -11.943  -2.883
  164    H    GLY  23           HN       GLY  23  -3.082 -10.327  -4.409
  165    HA2  GLY  23          1HA       GLY  23  -2.006 -10.166  -1.756
  166    HA3  GLY  23          2HA       GLY  23  -1.216 -10.867  -3.161
  167    H    ALA  24           HN       ALA  24  -2.313  -7.602  -2.231
  168    HA   ALA  24           HA       ALA  24   0.412  -6.621  -2.360
  169    HB1  ALA  24          1HB       ALA  24   0.336  -5.574  -4.322
  170    HB2  ALA  24          2HB       ALA  24  -1.124  -6.504  -4.665
  171    HB3  ALA  24          3HB       ALA  24  -1.250  -4.885  -3.975
  172    H    LYS  25           HN       LYS  25   0.562  -4.330  -1.700
  173    HA   LYS  25           HA       LYS  25  -1.600  -3.662   0.183
  174    HB2  LYS  25          2HB       LYS  25   1.219  -2.613   0.321
  175    HB3  LYS  25          3HB       LYS  25   0.003  -2.637   1.591
  176    HG2  LYS  25          2HG       LYS  25   1.411  -5.034   0.435
  177    HG3  LYS  25          3HG       LYS  25   1.717  -4.296   2.009
  178    HD2  LYS  25          2HD       LYS  25  -1.068  -4.848   1.799
  179    HD3  LYS  25          3HD       LYS  25  -0.176  -6.299   1.336
  180    HE2  LYS  25          2HE       LYS  25   0.608  -6.633   3.421
  181    HE3  LYS  25          3HE       LYS  25   0.849  -4.911   3.717
  182    HZ1  LYS  25          1HZ       LYS  25  -0.863  -5.865   5.152
  183    HZ2  LYS  25          2HZ       LYS  25  -1.771  -6.307   3.795
  184    HZ3  LYS  25          3HZ       LYS  25  -1.503  -4.672   4.136
  185    H    ARG  26           HN       ARG  26  -1.226  -1.109   0.755
  186    HA   ARG  26           HA       ARG  26  -1.277   0.313  -1.824
  187    HB2  ARG  26          2HB       ARG  26  -3.563   0.009  -0.983
  188    HB3  ARG  26          3HB       ARG  26  -3.108   0.762   0.540
  189    HG2  ARG  26          2HG       ARG  26  -2.893   2.876  -0.435
  190    HG3  ARG  26          3HG       ARG  26  -2.836   2.210  -2.069
  191    HD2  ARG  26          2HD       ARG  26  -4.989   3.194  -1.752
  192    HD3  ARG  26          3HD       ARG  26  -5.190   1.443  -1.757
  193    HE   ARG  26           HE       ARG  26  -4.891   2.643   0.858
  194   HH11  ARG  26          1HH1      ARG  26  -7.086   1.588  -1.630
  195   HH12  ARG  26          2HH1      ARG  26  -8.435   1.428  -0.554
  196   HH21  ARG  26          1HH2      ARG  26  -6.659   2.437   2.284
  197   HH22  ARG  26          2HH2      ARG  26  -8.192   1.913   1.671
  198    H    LEU  27           HN       LEU  27  -0.216   2.225  -1.920
  199    HA   LEU  27           HA       LEU  27   1.390   2.951   0.401
  200    HB2  LEU  27          2HB       LEU  27   1.474   3.711  -2.502
  201    HB3  LEU  27          3HB       LEU  27   2.444   4.545  -1.291
  202    HG   LEU  27           HG       LEU  27   2.628   1.632  -2.055
  203   HD11  LEU  27          1HD1      LEU  27   4.529   2.136  -3.216
  204   HD12  LEU  27          2HD1      LEU  27   4.867   3.579  -2.260
  205   HD13  LEU  27          3HD1      LEU  27   3.605   3.614  -3.491
  206   HD21  LEU  27          1HD2      LEU  27   3.325   1.395   0.069
  207   HD22  LEU  27          2HD2      LEU  27   3.585   3.126   0.288
  208   HD23  LEU  27          3HD2      LEU  27   4.806   2.147  -0.527
  209    HA   PRO  28           HA       PRO  28  -0.932   6.507   1.515
  210    HB2  PRO  28          2HB       PRO  28   1.036   8.155   2.399
  211    HB3  PRO  28          3HB       PRO  28   0.499   6.732   3.299
  212    HG2  PRO  28          2HG       PRO  28   2.881   7.057   1.514
  213    HG3  PRO  28          3HG       PRO  28   2.764   6.247   3.088
  214    HD2  PRO  28          2HD       PRO  28   2.754   4.888   0.747
  215    HD3  PRO  28          3HD       PRO  28   1.862   4.332   2.176
  216    H    CYS  29           HN       CYS  29   0.963   6.419  -1.176
  217    HA   CYS  29           HA       CYS  29   0.501   9.250  -1.835
  218    HB2  CYS  29          2HB       CYS  29   2.141   8.730  -3.739
  219    HB3  CYS  29          3HB       CYS  29   2.799   8.813  -2.107
  220    H    ASN  30           HN       ASN  30  -1.002   6.413  -2.153
  221    HA   ASN  30           HA       ASN  30  -2.842   5.880  -3.429
  222    HB2  ASN  30          2HB       ASN  30  -2.639   8.481  -4.047
  223    HB3  ASN  30          3HB       ASN  30  -2.199   7.796  -5.608
  224   HD21  ASN  30          1HD2      ASN  30  -3.870   5.424  -5.158
  225   HD22  ASN  30          2HD2      ASN  30  -5.497   5.946  -5.414
  226    H    HIS  31           HN       HIS  31  -0.713   4.326  -3.548
  227    HA   HIS  31           HA       HIS  31  -0.759   3.355  -6.276
  228    HB2  HIS  31          2HB       HIS  31   1.852   4.092  -4.935
  229    HB3  HIS  31          3HB       HIS  31   1.702   3.217  -6.456
  230    HD2  HIS  31          2HD       HIS  31  -0.052   4.977  -8.307
  231    HE1  HIS  31          1HE       HIS  31   2.097   8.362  -6.920
  232    HE2  HIS  31          2HE       HIS  31   0.506   7.478  -8.661
  233    H    ILE  32           HN       ILE  32  -1.029   1.231  -6.198
  234    HA   ILE  32           HA       ILE  32  -0.323  -0.190  -3.733
  235    HB   ILE  32           HB       ILE  32  -2.221  -0.854  -5.975
  236   HG12  ILE  32          2HG1      ILE  32  -3.080  -1.065  -3.178
  237   HG13  ILE  32          3HG1      ILE  32  -2.567   0.555  -3.637
  238   HG21  ILE  32          1HG2      ILE  32  -2.483  -2.812  -4.007
  239   HG22  ILE  32          2HG2      ILE  32  -1.843  -3.017  -5.636
  240   HG23  ILE  32          3HG2      ILE  32  -0.749  -2.675  -4.296
  241   HD11  ILE  32          1HD1      ILE  32  -4.383  -0.807  -5.512
  242   HD12  ILE  32          2HD1      ILE  32  -5.061  -0.356  -3.947
  243   HD13  ILE  32          3HD1      ILE  32  -4.340   0.874  -4.984
  244    H    PHE  33           HN       PHE  33   1.137  -1.809  -3.677
  245    HA   PHE  33           HA       PHE  33   2.133  -2.961  -6.161
  246    HB2  PHE  33          2HB       PHE  33   4.009  -1.693  -4.155
  247    HB3  PHE  33          3HB       PHE  33   4.459  -2.492  -5.659
  248    HD1  PHE  33          1HD       PHE  33   3.578  -1.466  -7.837
  249    HD2  PHE  33          2HD       PHE  33   3.628   0.591  -4.112
  250    HE1  PHE  33          1HE       PHE  33   3.429   0.684  -9.026
  251    HE2  PHE  33          2HE       PHE  33   3.478   2.744  -5.294
  252    HZ   PHE  33           HZ       PHE  33   3.378   2.792  -7.754
  253    H    HIS  34           HN       HIS  34   3.347  -4.910  -5.852
  254    HA   HIS  34           HA       HIS  34   2.314  -6.710  -4.074
  255    HB2  HIS  34          2HB       HIS  34   5.024  -6.642  -5.397
  256    HB3  HIS  34          3HB       HIS  34   4.478  -8.014  -4.438
  257    HD2  HIS  34          2HD       HIS  34   1.381  -8.081  -5.697
  258    HE1  HIS  34          1HE       HIS  34   3.444  -8.744  -9.344
  259    HE2  HIS  34          2HE       HIS  34   1.217  -8.824  -8.168
  260    H    THR  35           HN       THR  35   2.739  -7.411  -2.031
  261    HA   THR  35           HA       THR  35   3.940  -5.600  -0.217
  262    HB   THR  35           HB       THR  35   3.404  -8.491   0.430
  263    HG1  THR  35          1HG       THR  35   1.504  -7.904  -0.504
  264   HG21  THR  35          1HG2      THR  35   3.608  -5.922   1.931
  265   HG22  THR  35          2HG2      THR  35   4.246  -7.516   2.333
  266   HG23  THR  35          3HG2      THR  35   2.529  -7.176   2.541
  267    H    SER  36           HN       SER  36   5.231  -8.078  -2.167
  268    HA   SER  36           HA       SER  36   7.581  -8.443  -0.470
  269    HB2  SER  36          2HB       SER  36   6.214 -10.072  -2.366
  270    HB3  SER  36          3HB       SER  36   7.849  -9.802  -2.967
  271    HG   SER  36           HG       SER  36   8.036 -11.519  -1.638
  272    H    CYS  37           HN       CYS  37   6.598  -6.991  -3.502
  273    HA   CYS  37           HA       CYS  37   9.252  -6.398  -4.396
  274    HB2  CYS  37          2HB       CYS  37   6.552  -5.335  -5.245
  275    HB3  CYS  37          3HB       CYS  37   8.066  -4.917  -6.040
  276    H    LEU  38           HN       LEU  38   6.926  -4.848  -2.342
  277    HA   LEU  38           HA       LEU  38   8.096  -2.236  -2.466
  278    HB2  LEU  38          2HB       LEU  38   6.034  -3.564  -0.762
  279    HB3  LEU  38          3HB       LEU  38   6.709  -2.014  -0.265
  280    HG   LEU  38           HG       LEU  38   5.166  -2.592  -2.792
  281   HD11  LEU  38          1HD1      LEU  38   4.502  -0.786  -0.475
  282   HD12  LEU  38          2HD1      LEU  38   3.867  -2.418  -0.677
  283   HD13  LEU  38          3HD1      LEU  38   3.482  -1.170  -1.862
  284   HD21  LEU  38          1HD2      LEU  38   5.329   0.004  -2.901
  285   HD22  LEU  38          2HD2      LEU  38   6.653  -0.986  -3.516
  286   HD23  LEU  38          3HD2      LEU  38   6.779  -0.232  -1.925
  287    H    ARG  39           HN       ARG  39   8.102  -4.835  -0.031
  288    HA   ARG  39           HA       ARG  39   9.875  -3.539   1.746
  289    HB2  ARG  39          2HB       ARG  39   9.254  -6.478   1.400
  290    HB3  ARG  39          3HB       ARG  39  10.157  -5.798   2.748
  291    HG2  ARG  39          2HG       ARG  39   8.055  -4.325   3.093
  292    HG3  ARG  39          3HG       ARG  39   7.254  -5.546   2.101
  293    HD2  ARG  39          2HD       ARG  39   7.718  -7.257   3.651
  294    HD3  ARG  39          3HD       ARG  39   8.900  -6.269   4.507
  295    HE   ARG  39           HE       ARG  39   6.113  -6.361   4.991
  296   HH11  ARG  39          1HH1      ARG  39   8.809  -4.161   4.888
  297   HH12  ARG  39          2HH1      ARG  39   8.119  -3.057   6.031
  298   HH21  ARG  39          1HH2      ARG  39   5.194  -4.915   6.497
  299   HH22  ARG  39          2HH2      ARG  39   6.063  -3.487   6.945
  300    H    SER  40           HN       SER  40  10.363  -5.381  -1.143
  301    HA   SER  40           HA       SER  40  13.199  -5.771  -0.608
  302    HB2  SER  40          2HB       SER  40  11.487  -6.540  -2.983
  303    HB3  SER  40          3HB       SER  40  13.199  -6.928  -2.814
  304    HG   SER  40           HG       SER  40  11.712  -8.612  -2.135
  305    H    TRP  41           HN       TRP  41  11.100  -3.615  -2.297
  306    HA   TRP  41           HA       TRP  41  13.104  -2.567  -4.070
  307    HB2  TRP  41          2HB       TRP  41  10.811  -2.440  -4.779
  308    HB3  TRP  41          3HB       TRP  41  10.348  -1.591  -3.307
  309    HD1  TRP  41          1HD       TRP  41  10.582   1.007  -3.286
  310    HE1  TRP  41          1HE       TRP  41  11.299   2.751  -5.036
  311    HE3  TRP  41          3HE       TRP  41  12.505  -2.139  -6.828
  312    HZ2  TRP  41          2HZ       TRP  41  12.518   2.790  -7.582
  313    HZ3  TRP  41          3HZ       TRP  41  13.426  -1.167  -8.892
  314    HH2  TRP  41          2HH       TRP  41  13.431   1.246  -9.260
  315    H    PHE  42           HN       PHE  42  11.571  -1.493  -1.056
  316    HA   PHE  42           HA       PHE  42  12.986   0.957  -0.884
  317    HB2  PHE  42          2HB       PHE  42  11.675  -0.676   1.300
  318    HB3  PHE  42          3HB       PHE  42  12.210   0.993   1.460
  319    HD1  PHE  42          1HD       PHE  42   9.372  -0.492   1.621
  320    HD2  PHE  42          2HD       PHE  42  11.320   2.051  -1.183
  321    HE1  PHE  42          1HE       PHE  42   7.183   0.282   0.807
  322    HE2  PHE  42          2HE       PHE  42   9.134   2.830  -2.000
  323    HZ   PHE  42           HZ       PHE  42   7.062   1.945  -1.005
  324    H    GLN  43           HN       GLN  43  13.910  -2.268  -0.341
  325    HA   GLN  43           HA       GLN  43  15.818  -1.946   1.706
  326    HB2  GLN  43          2HB       GLN  43  15.451  -3.967  -0.488
  327    HB3  GLN  43          3HB       GLN  43  16.852  -4.034   0.574
  328    HG2  GLN  43          2HG       GLN  43  14.250  -3.793   1.922
  329    HG3  GLN  43          3HG       GLN  43  14.525  -5.300   1.048
  330   HE21  GLN  43          1HE2      GLN  43  14.487  -6.366   3.083
  331   HE22  GLN  43          2HE2      GLN  43  15.877  -6.352   4.109
  332    H    ARG  44           HN       ARG  44  15.963  -1.474  -1.770
  333    HA   ARG  44           HA       ARG  44  18.756  -0.580  -1.484
  334    HB2  ARG  44          2HB       ARG  44  17.467  -1.389  -4.082
  335    HB3  ARG  44          3HB       ARG  44  19.179  -1.226  -3.720
  336    HG2  ARG  44          2HG       ARG  44  18.198  -3.148  -1.934
  337    HG3  ARG  44          3HG       ARG  44  17.486  -3.524  -3.504
  338    HD2  ARG  44          2HD       ARG  44  19.476  -4.680  -3.610
  339    HD3  ARG  44          3HD       ARG  44  19.912  -3.155  -4.379
  340    HE   ARG  44           HE       ARG  44  21.408  -2.822  -2.698
  341   HH11  ARG  44          1HH1      ARG  44  18.953  -5.014  -1.564
  342   HH12  ARG  44          2HH1      ARG  44  19.719  -5.285  -0.033
  343   HH21  ARG  44          1HH2      ARG  44  22.425  -3.169  -0.686
  344   HH22  ARG  44          2HH2      ARG  44  21.693  -4.234   0.465
  345    H    GLN  45           HN       GLN  45  15.580   0.395  -2.092
  346    HA   GLN  45           HA       GLN  45  16.542   3.001  -3.059
  347    HB2  GLN  45          2HB       GLN  45  14.247   1.357  -4.087
  348    HB3  GLN  45          3HB       GLN  45  14.257   3.107  -4.269
  349    HG2  GLN  45          2HG       GLN  45  15.135   2.362  -6.271
  350    HG3  GLN  45          3HG       GLN  45  16.571   2.771  -5.334
  351   HE21  GLN  45          1HE2      GLN  45  18.021   1.404  -6.194
  352   HE22  GLN  45          2HE2      GLN  45  17.880  -0.319  -6.171
  353    H    GLN  46           HN       GLN  46  14.504   4.594  -2.906
  354    HA   GLN  46           HA       GLN  46  12.909   4.137  -0.535
  355    HB2  GLN  46          2HB       GLN  46  15.351   5.232  -0.094
  356    HB3  GLN  46          3HB       GLN  46  14.400   6.682  -0.388
  357    HG2  GLN  46          2HG       GLN  46  12.874   6.084   1.386
  358    HG3  GLN  46          3HG       GLN  46  13.731   4.565   1.644
  359   HE21  GLN  46          1HE2      GLN  46  14.136   8.070   1.705
  360   HE22  GLN  46          2HE2      GLN  46  15.331   8.091   2.953
  361    H    THR  47           HN       THR  47  12.558   4.700  -3.422
  362    HA   THR  47           HA       THR  47  10.712   6.956  -3.114
  363    HB   THR  47           HB       THR  47  11.597   7.198  -5.741
  364    HG1  THR  47          1HG       THR  47  13.478   5.916  -4.686
  365   HG21  THR  47          1HG2      THR  47  10.931   9.004  -4.191
  366   HG22  THR  47          2HG2      THR  47  12.450   9.353  -5.018
  367   HG23  THR  47          3HG2      THR  47  12.463   8.812  -3.340
  368    H    CYS  48           HN       CYS  48   8.749   6.505  -3.877
  369    HA   CYS  48           HA       CYS  48   7.801   4.116  -4.649
  370    HB2  CYS  48          2HB       CYS  48   6.633   6.480  -4.383
  371    HB3  CYS  48          3HB       CYS  48   6.704   6.458  -6.142
  372    HA   PRO  49           HA       PRO  49   9.672   3.129  -8.531
  373    HB2  PRO  49          2HB       PRO  49   8.063   1.040  -9.178
  374    HB3  PRO  49          3HB       PRO  49   9.332   0.932  -7.951
  375    HG2  PRO  49          2HG       PRO  49   6.387   1.345  -7.601
  376    HG3  PRO  49          3HG       PRO  49   7.487   0.298  -6.685
  377    HD2  PRO  49          2HD       PRO  49   6.674   2.712  -5.768
  378    HD3  PRO  49          3HD       PRO  49   8.274   2.040  -5.397
  379    H    THR  50           HN       THR  50   6.795   4.661  -8.113
  380    HA   THR  50           HA       THR  50   6.321   4.799 -11.016
  381    HB   THR  50           HB       THR  50   4.537   3.517  -9.698
  382    HG1  THR  50          1HG       THR  50   4.101   5.688 -11.440
  383   HG21  THR  50          1HG2      THR  50   2.881   4.841  -8.524
  384   HG22  THR  50          2HG2      THR  50   3.790   6.317  -8.850
  385   HG23  THR  50          3HG2      THR  50   4.463   5.085  -7.785
  386    H    CYS  51           HN       CYS  51   5.797   6.433  -7.901
  387    HA   CYS  51           HA       CYS  51   5.847   9.011  -9.319
  388    HB2  CYS  51          2HB       CYS  51   4.636   9.959  -7.496
  389    HB3  CYS  51          3HB       CYS  51   3.839   8.440  -7.895
  390    H    ARG  52           HN       ARG  52   7.802   6.984  -7.591
  391    HA   ARG  52           HA       ARG  52   9.598   7.282  -6.157
  392    HB2  ARG  52          2HB       ARG  52  10.237   9.354  -8.260
  393    HB3  ARG  52          3HB       ARG  52  11.384   8.451  -7.279
  394    HG2  ARG  52          2HG       ARG  52   9.520   6.888  -8.966
  395    HG3  ARG  52          3HG       ARG  52  10.802   7.786  -9.780
  396    HD2  ARG  52          2HD       ARG  52  12.011   6.535  -7.581
  397    HD3  ARG  52          3HD       ARG  52  10.950   5.326  -8.302
  398    HE   ARG  52           HE       ARG  52  12.233   6.295 -10.447
  399   HH11  ARG  52          1HH1      ARG  52  13.380   5.193  -7.351
  400   HH12  ARG  52          2HH1      ARG  52  14.903   4.641  -7.966
  401   HH21  ARG  52          1HH2      ARG  52  14.234   5.572 -11.269
  402   HH22  ARG  52          2HH2      ARG  52  15.388   4.858 -10.194
  403    H    MET  53           HN       MET  53   7.714   8.504  -4.817
  404    HA   MET  53           HA       MET  53   8.699  11.210  -4.211
  405    HB2  MET  53          2HB       MET  53   6.012   9.908  -3.926
  406    HB3  MET  53          3HB       MET  53   6.431  11.291  -2.924
  407    HG2  MET  53          2HG       MET  53   6.537  12.734  -4.727
  408    HG3  MET  53          3HG       MET  53   6.761  11.426  -5.887
  409    HE1  MET  53          1HE       MET  53   2.798  11.193  -3.709
  410    HE2  MET  53          2HE       MET  53   3.978   9.893  -3.880
  411    HE3  MET  53          3HE       MET  53   4.393  11.348  -2.973
  412    H    ASP  54           HN       ASP  54   9.057   8.134  -3.186
  413    HA   ASP  54           HA       ASP  54   9.932   7.209  -1.298
  414    HB2  ASP  54          2HB       ASP  54  11.235   9.398  -1.271
  415    HB3  ASP  54          3HB       ASP  54  10.046   9.981  -0.110
  416    H    VAL  55           HN       VAL  55   9.072   6.256   0.489
  417    HA   VAL  55           HA       VAL  55   6.666   7.486   1.657
  418    HB   VAL  55           HB       VAL  55   5.871   5.035   1.941
  419   HG11  VAL  55          1HG1      VAL  55   4.573   5.194  -0.026
  420   HG12  VAL  55          2HG1      VAL  55   4.898   6.855   0.474
  421   HG13  VAL  55          3HG1      VAL  55   5.810   6.138  -0.856
  422   HG21  VAL  55          1HG2      VAL  55   6.581   3.599   0.019
  423   HG22  VAL  55          2HG2      VAL  55   7.870   4.761  -0.298
  424   HG23  VAL  55          3HG2      VAL  55   7.834   3.876   1.228
  425    H    LEU  56           HN       LEU  56   9.257   5.104   2.066
  426    HA   LEU  56           HA       LEU  56   8.871   4.408   4.709
  427    HB2  LEU  56          2HB       LEU  56  11.032   4.312   2.795
  428    HB3  LEU  56          3HB       LEU  56  11.636   4.624   4.420
  429    HG   LEU  56           HG       LEU  56  10.154   2.570   5.058
  430   HD11  LEU  56          1HD1      LEU  56   8.992   1.971   3.184
  431   HD12  LEU  56          2HD1      LEU  56  10.413   0.942   3.008
  432   HD13  LEU  56          3HD1      LEU  56  10.292   2.442   2.089
  433   HD21  LEU  56          1HD2      LEU  56  12.730   2.884   4.935
  434   HD22  LEU  56          2HD2      LEU  56  12.600   1.904   3.474
  435   HD23  LEU  56          3HD2      LEU  56  12.054   1.257   5.022
  Start of MODEL   17
    1    H1   ALA   1           HN       ALA   1  -4.232  -4.080   0.137
    2    HA   ALA   1           HA       ALA   1  -5.856  -2.317  -0.306
    3    HB1  ALA   1          1HB       ALA   1  -4.595  -1.619  -1.989
    4    HB2  ALA   1          2HB       ALA   1  -3.979  -3.256  -2.213
    5    HB3  ALA   1          3HB       ALA   1  -5.420  -2.731  -3.082
    6    H    THR   2           HN       THR   2  -7.815  -1.695  -1.209
    7    HA   THR   2           HA       THR   2  -9.772  -3.727  -1.467
    8    HB   THR   2           HB       THR   2 -11.286  -1.842  -2.176
    9    HG1  THR   2          1HG       THR   2 -10.471   0.174  -2.353
   10   HG21  THR   2          1HG2      THR   2 -10.768  -2.554   0.229
   11   HG22  THR   2          2HG2      THR   2 -11.470  -0.953  -0.006
   12   HG23  THR   2          3HG2      THR   2  -9.742  -1.122   0.301
   13    HA   PRO   3           HA       PRO   3  -9.686  -4.686  -5.754
   14    HB2  PRO   3          2HB       PRO   3 -12.310  -5.213  -6.209
   15    HB3  PRO   3          3HB       PRO   3 -11.256  -6.300  -5.295
   16    HG2  PRO   3          2HG       PRO   3 -13.228  -4.283  -4.290
   17    HG3  PRO   3          3HG       PRO   3 -12.927  -5.935  -3.719
   18    HD2  PRO   3          2HD       PRO   3 -11.936  -3.753  -2.456
   19    HD3  PRO   3          3HD       PRO   3 -11.080  -5.309  -2.491
   20    H    GLU   4           HN       GLU   4 -11.854  -2.188  -4.605
   21    HA   GLU   4           HA       GLU   4 -12.510  -1.206  -7.226
   22    HB2  GLU   4          2HB       GLU   4 -13.843  -0.980  -4.988
   23    HB3  GLU   4          3HB       GLU   4 -12.810   0.419  -4.726
   24    HG2  GLU   4          2HG       GLU   4 -13.625   0.963  -7.206
   25    HG3  GLU   4          3HG       GLU   4 -15.006   0.014  -6.658
   26    H    GLU   5           HN       GLU   5 -10.154  -0.461  -4.738
   27    HA   GLU   5           HA       GLU   5  -9.247   1.953  -6.017
   28    HB2  GLU   5          2HB       GLU   5  -8.190   0.318  -3.716
   29    HB3  GLU   5          3HB       GLU   5  -7.365   1.748  -4.320
   30    HG2  GLU   5          2HG       GLU   5  -9.054   3.175  -3.616
   31    HG3  GLU   5          3HG       GLU   5 -10.237   1.874  -3.498
   32    H    LEU   6           HN       LEU   6  -8.224  -1.410  -5.857
   33    HA   LEU   6           HA       LEU   6  -5.715  -1.097  -7.103
   34    HB2  LEU   6          2HB       LEU   6  -7.531  -3.318  -6.457
   35    HB3  LEU   6          3HB       LEU   6  -6.446  -3.608  -7.815
   36    HG   LEU   6           HG       LEU   6  -5.471  -2.722  -5.108
   37   HD11  LEU   6          1HD1      LEU   6  -5.284  -5.549  -6.028
   38   HD12  LEU   6          2HD1      LEU   6  -6.776  -4.987  -5.275
   39   HD13  LEU   6          3HD1      LEU   6  -5.252  -4.889  -4.392
   40   HD21  LEU   6          1HD2      LEU   6  -4.096  -4.047  -7.444
   41   HD22  LEU   6          2HD2      LEU   6  -3.343  -3.604  -5.912
   42   HD23  LEU   6          3HD2      LEU   6  -3.956  -2.349  -6.990
   43    H    GLN   7           HN       GLN   7  -8.842  -2.148  -8.454
   44    HA   GLN   7           HA       GLN   7  -7.942  -2.233 -11.132
   45    HB2  GLN   7          2HB       GLN   7 -10.303  -2.865  -9.747
   46    HB3  GLN   7          3HB       GLN   7 -10.765  -1.663 -10.945
   47    HG2  GLN   7          2HG       GLN   7  -9.060  -3.938 -11.807
   48    HG3  GLN   7          3HG       GLN   7 -10.769  -4.233 -11.493
   49   HE21  GLN   7          1HE2      GLN   7 -12.004  -4.083 -13.209
   50   HE22  GLN   7          2HE2      GLN   7 -11.730  -3.076 -14.585
   51    H    ALA   8           HN       ALA   8  -8.405   0.370  -9.117
   52    HA   ALA   8           HA       ALA   8  -9.261   2.203 -11.224
   53    HB1  ALA   8          1HB       ALA   8  -9.521   3.844  -9.516
   54    HB2  ALA   8          2HB       ALA   8 -10.216   2.339  -8.915
   55    HB3  ALA   8          3HB       ALA   8  -8.628   2.863  -8.355
   56    H    MET   9           HN       MET   9  -6.533   0.794 -10.904
   57    HA   MET   9           HA       MET   9  -4.979   3.033 -11.815
   58    HB2  MET   9          2HB       MET   9  -3.257   2.963 -10.139
   59    HB3  MET   9          3HB       MET   9  -4.799   3.214  -9.333
   60    HG2  MET   9          2HG       MET   9  -4.560   1.375  -8.124
   61    HG3  MET   9          3HG       MET   9  -4.182   0.407  -9.547
   62    HE1  MET   9          1HE       MET   9  -0.721  -0.434  -9.342
   63    HE2  MET   9          2HE       MET   9  -2.297  -0.498 -10.133
   64    HE3  MET   9          3HE       MET   9  -1.148   0.773 -10.557
   65    H    ASP  10           HN       ASP  10  -5.886   0.420 -12.768
   66    HA   ASP  10           HA       ASP  10  -5.003  -1.082 -14.266
   67    HB2  ASP  10          2HB       ASP  10  -2.922   0.695 -14.030
   68    HB3  ASP  10          3HB       ASP  10  -2.182  -0.814 -13.499
   69    H    ASN  11           HN       ASN  11  -4.412  -0.960 -10.939
   70    HA   ASN  11           HA       ASN  11  -3.832  -2.517  -9.357
   71    HB2  ASN  11          2HB       ASN  11  -5.314  -4.327  -9.298
   72    HB3  ASN  11          3HB       ASN  11  -6.166  -3.144 -10.287
   73   HD21  ASN  11          1HD2      ASN  11  -4.661  -6.226 -10.183
   74   HD22  ASN  11          2HD2      ASN  11  -5.050  -6.716 -11.793
   75    H    VAL  12           HN       VAL  12  -1.909  -2.254 -11.517
   76    HA   VAL  12           HA       VAL  12  -0.796  -4.986 -11.529
   77    HB   VAL  12           HB       VAL  12  -0.784  -2.853 -13.617
   78   HG11  VAL  12          1HG1      VAL  12   1.444  -4.781 -13.067
   79   HG12  VAL  12          2HG1      VAL  12   1.104  -4.229 -14.708
   80   HG13  VAL  12          3HG1      VAL  12   1.529  -3.063 -13.455
   81   HG21  VAL  12          1HG2      VAL  12  -2.033  -4.373 -14.646
   82   HG22  VAL  12          2HG2      VAL  12  -0.667  -5.488 -14.644
   83   HG23  VAL  12          3HG2      VAL  12  -1.811  -5.493 -13.303
   84    H    CYS  13           HN       CYS  13   1.059  -5.275 -10.482
   85    HA   CYS  13           HA       CYS  13   2.307  -3.193  -9.040
   86    HB2  CYS  13          2HB       CYS  13   2.396  -5.469  -8.226
   87    HB3  CYS  13          3HB       CYS  13   3.243  -5.997  -9.677
   88    H    ILE  14           HN       ILE  14   3.520  -1.632  -9.864
   89    HA   ILE  14           HA       ILE  14   4.651  -1.697 -12.452
   90    HB   ILE  14           HB       ILE  14   4.026   0.346 -10.977
   91   HG12  ILE  14          2HG1      ILE  14   4.863   0.604 -13.221
   92   HG13  ILE  14          3HG1      ILE  14   5.717   1.742 -12.186
   93   HG21  ILE  14          1HG2      ILE  14   5.482  -0.228  -9.099
   94   HG22  ILE  14          2HG2      ILE  14   6.894  -0.070 -10.143
   95   HG23  ILE  14          3HG2      ILE  14   5.903   1.343  -9.780
   96   HD11  ILE  14          1HD1      ILE  14   7.443  -0.263 -12.055
   97   HD12  ILE  14          2HD1      ILE  14   6.717  -0.642 -13.618
   98   HD13  ILE  14          3HD1      ILE  14   7.473   0.929 -13.354
   99    H    ILE  15           HN       ILE  15   6.095  -2.021  -9.222
  100    HA   ILE  15           HA       ILE  15   8.729  -2.082  -9.617
  101    HB   ILE  15           HB       ILE  15   7.225  -4.250  -8.148
  102   HG12  ILE  15          2HG1      ILE  15   8.560  -1.945  -6.803
  103   HG13  ILE  15          3HG1      ILE  15   7.019  -1.657  -7.603
  104   HG21  ILE  15          1HG2      ILE  15   9.294  -5.171  -8.138
  105   HG22  ILE  15          2HG2      ILE  15  10.102  -3.631  -8.428
  106   HG23  ILE  15          3HG2      ILE  15   9.531  -4.035  -6.810
  107   HD11  ILE  15          1HD1      ILE  15   6.147  -3.629  -6.246
  108   HD12  ILE  15          2HD1      ILE  15   7.618  -3.457  -5.287
  109   HD13  ILE  15          3HD1      ILE  15   6.470  -2.122  -5.389
  110    H    CYS  16           HN       CYS  16   6.634  -4.861 -10.378
  111    HA   CYS  16           HA       CYS  16   8.786  -5.897 -12.103
  112    HB2  CYS  16          2HB       CYS  16   7.758  -8.124 -11.797
  113    HB3  CYS  16          3HB       CYS  16   8.281  -7.418 -10.272
  114    H    ARG  17           HN       ARG  17   5.930  -4.289 -12.212
  115    HA   ARG  17           HA       ARG  17   4.274  -3.991 -13.754
  116    HB2  ARG  17          2HB       ARG  17   6.700  -4.631 -15.403
  117    HB3  ARG  17          3HB       ARG  17   5.154  -4.313 -16.178
  118    HG2  ARG  17          2HG       ARG  17   5.304  -2.195 -14.519
  119    HG3  ARG  17          3HG       ARG  17   7.016  -2.475 -14.841
  120    HD2  ARG  17          2HD       ARG  17   5.272  -2.592 -17.201
  121    HD3  ARG  17          3HD       ARG  17   5.362  -1.013 -16.423
  122    HE   ARG  17           HE       ARG  17   7.532  -0.815 -17.137
  123   HH11  ARG  17          1HH1      ARG  17   6.483  -4.112 -17.521
  124   HH12  ARG  17          2HH1      ARG  17   7.883  -4.590 -18.423
  125   HH21  ARG  17          1HH2      ARG  17   9.381  -1.432 -18.323
  126   HH22  ARG  17          2HH2      ARG  17   9.531  -3.065 -18.877
  127    H    GLU  18           HN       GLU  18   3.521  -6.135 -12.630
  128    HA   GLU  18           HA       GLU  18   3.049  -8.117 -14.761
  129    HB2  GLU  18          2HB       GLU  18   3.468  -8.539 -11.804
  130    HB3  GLU  18          3HB       GLU  18   2.755  -9.765 -12.842
  131    HG2  GLU  18          2HG       GLU  18   5.497  -8.565 -13.169
  132    HG3  GLU  18          3HG       GLU  18   5.135 -10.149 -12.483
  133    H    GLU  19           HN       GLU  19   1.569  -8.292 -11.620
  134    HA   GLU  19           HA       GLU  19  -0.802  -6.860 -12.225
  135    HB2  GLU  19          2HB       GLU  19  -0.682  -9.312 -13.498
  136    HB3  GLU  19          3HB       GLU  19  -1.612  -9.660 -12.046
  137    HG2  GLU  19          2HG       GLU  19  -3.198  -7.920 -12.607
  138    HG3  GLU  19          3HG       GLU  19  -2.245  -7.482 -14.024
  139    H    MET  20           HN       MET  20  -2.232  -6.771 -10.479
  140    HA   MET  20           HA       MET  20  -1.352  -8.199  -8.057
  141    HB2  MET  20          2HB       MET  20  -2.026  -5.307  -8.453
  142    HB3  MET  20          3HB       MET  20  -2.303  -6.059  -6.887
  143    HG2  MET  20          2HG       MET  20   0.007  -6.584  -6.647
  144    HG3  MET  20          3HG       MET  20   0.344  -6.102  -8.308
  145    HE1  MET  20          1HE       MET  20  -0.633  -3.904  -9.124
  146    HE2  MET  20          2HE       MET  20  -1.517  -2.867  -8.005
  147    HE3  MET  20          3HE       MET  20   0.133  -2.454  -8.474
  148    H    VAL  21           HN       VAL  21  -2.888  -9.725  -7.835
  149    HA   VAL  21           HA       VAL  21  -5.703  -8.966  -8.157
  150    HB   VAL  21           HB       VAL  21  -5.991 -11.535  -7.809
  151   HG11  VAL  21          1HG1      VAL  21  -5.111 -11.739 -10.339
  152   HG12  VAL  21          2HG1      VAL  21  -6.622 -10.941  -9.899
  153   HG13  VAL  21          3HG1      VAL  21  -5.168  -9.984 -10.182
  154   HG21  VAL  21          1HG2      VAL  21  -3.151 -11.503  -8.807
  155   HG22  VAL  21          2HG2      VAL  21  -3.577 -11.791  -7.121
  156   HG23  VAL  21          3HG2      VAL  21  -4.135 -12.902  -8.373
  157    H    THR  22           HN       THR  22  -3.348  -9.784  -5.780
  158    HA   THR  22           HA       THR  22  -4.928  -8.990  -3.614
  159    HB   THR  22           HB       THR  22  -6.076 -11.188  -4.193
  160    HG1  THR  22          1HG       THR  22  -6.637 -11.052  -2.164
  161   HG21  THR  22          1HG2      THR  22  -3.914 -12.594  -2.722
  162   HG22  THR  22          2HG2      THR  22  -3.638 -12.239  -4.427
  163   HG23  THR  22          3HG2      THR  22  -5.033 -13.201  -3.940
  164    H    GLY  23           HN       GLY  23  -3.885  -9.463  -1.496
  165    HA2  GLY  23          1HA       GLY  23  -2.039  -9.697  -0.136
  166    HA3  GLY  23          2HA       GLY  23  -1.265 -10.601  -1.429
  167    H    ALA  24           HN       ALA  24  -2.419  -7.241  -1.128
  168    HA   ALA  24           HA       ALA  24   0.313  -6.279  -1.439
  169    HB1  ALA  24          1HB       ALA  24  -1.143  -4.666  -3.200
  170    HB2  ALA  24          2HB       ALA  24   0.111  -5.838  -3.606
  171    HB3  ALA  24          3HB       ALA  24  -1.584  -6.328  -3.600
  172    H    LYS  25           HN       LYS  25   0.482  -3.930  -1.101
  173    HA   LYS  25           HA       LYS  25  -1.617  -2.994   0.740
  174    HB2  LYS  25          2HB       LYS  25   1.159  -1.859   0.664
  175    HB3  LYS  25          3HB       LYS  25   0.007  -1.878   1.993
  176    HG2  LYS  25          2HG       LYS  25   1.396  -4.319   0.912
  177    HG3  LYS  25          3HG       LYS  25   1.938  -3.394   2.314
  178    HD2  LYS  25          2HD       LYS  25  -0.704  -3.854   2.888
  179    HD3  LYS  25          3HD       LYS  25  -0.227  -5.343   2.070
  180    HE2  LYS  25          2HE       LYS  25   1.528  -5.731   3.629
  181    HE3  LYS  25          3HE       LYS  25   1.346  -4.122   4.328
  182    HZ1  LYS  25          1HZ       LYS  25  -0.615  -6.346   4.495
  183    HZ2  LYS  25          2HZ       LYS  25  -0.877  -4.785   5.091
  184    HZ3  LYS  25          3HZ       LYS  25   0.341  -5.751   5.759
  185    H    ARG  26           HN       ARG  26  -1.432  -0.440   0.929
  186    HA   ARG  26           HA       ARG  26  -1.314   0.689  -1.784
  187    HB2  ARG  26          2HB       ARG  26  -3.656   0.269  -1.262
  188    HB3  ARG  26          3HB       ARG  26  -3.495   1.138   0.259
  189    HG2  ARG  26          2HG       ARG  26  -3.254   3.213  -0.836
  190    HG3  ARG  26          3HG       ARG  26  -3.009   2.439  -2.403
  191    HD2  ARG  26          2HD       ARG  26  -5.238   3.321  -2.327
  192    HD3  ARG  26          3HD       ARG  26  -5.329   1.561  -2.267
  193    HE   ARG  26           HE       ARG  26  -6.243   1.714  -0.174
  194   HH11  ARG  26          1HH1      ARG  26  -4.812   4.771  -1.023
  195   HH12  ARG  26          2HH1      ARG  26  -5.457   5.603   0.354
  196   HH21  ARG  26          1HH2      ARG  26  -7.097   2.797   1.643
  197   HH22  ARG  26          2HH2      ARG  26  -6.755   4.480   1.870
  198    H    LEU  27           HN       LEU  27  -0.209   2.538  -1.933
  199    HA   LEU  27           HA       LEU  27   0.929   3.679   0.473
  200    HB2  LEU  27          2HB       LEU  27   1.312   4.329  -2.444
  201    HB3  LEU  27          3HB       LEU  27   2.178   5.118  -1.128
  202    HG   LEU  27           HG       LEU  27   2.341   2.177  -1.784
  203   HD11  LEU  27          1HD1      LEU  27   4.549   4.147  -2.192
  204   HD12  LEU  27          2HD1      LEU  27   3.318   3.924  -3.434
  205   HD13  LEU  27          3HD1      LEU  27   4.312   2.560  -2.923
  206   HD21  LEU  27          1HD2      LEU  27   3.154   2.032   0.284
  207   HD22  LEU  27          2HD2      LEU  27   3.203   3.786   0.472
  208   HD23  LEU  27          3HD2      LEU  27   4.546   2.942  -0.303
  209    HA   PRO  28           HA       PRO  28  -1.782   7.105   0.913
  210    HB2  PRO  28          2HB       PRO  28  -0.078   8.992   1.864
  211    HB3  PRO  28          3HB       PRO  28  -0.624   7.617   2.830
  212    HG2  PRO  28          2HG       PRO  28   1.946   7.982   1.338
  213    HG3  PRO  28          3HG       PRO  28   1.678   7.314   2.958
  214    HD2  PRO  28          2HD       PRO  28   2.084   5.749   0.787
  215    HD3  PRO  28          3HD       PRO  28   1.051   5.251   2.142
  216    H    CYS  29           HN       CYS  29   0.458   6.934  -1.494
  217    HA   CYS  29           HA       CYS  29  -0.057   9.656  -2.475
  218    HB2  CYS  29          2HB       CYS  29   1.766   9.022  -4.163
  219    HB3  CYS  29          3HB       CYS  29   2.266   9.274  -2.494
  220    H    ASN  30           HN       ASN  30  -1.348   6.665  -2.703
  221    HA   ASN  30           HA       ASN  30  -3.040   5.923  -4.076
  222    HB2  ASN  30          2HB       ASN  30  -2.975   8.510  -4.821
  223    HB3  ASN  30          3HB       ASN  30  -2.409   7.767  -6.313
  224   HD21  ASN  30          1HD2      ASN  30  -4.482   8.807  -7.007
  225   HD22  ASN  30          2HD2      ASN  30  -5.915   7.847  -6.905
  226    H    HIS  31           HN       HIS  31  -0.717   4.607  -3.965
  227    HA   HIS  31           HA       HIS  31  -0.499   3.507  -6.645
  228    HB2  HIS  31          2HB       HIS  31   1.936   4.465  -5.127
  229    HB3  HIS  31          3HB       HIS  31   1.960   3.567  -6.642
  230    HD2  HIS  31          2HD       HIS  31   0.070   5.231  -8.544
  231    HE1  HIS  31          1HE       HIS  31   2.153   8.683  -7.225
  232    HE2  HIS  31          2HE       HIS  31   0.570   7.738  -8.940
  233    H    ILE  32           HN       ILE  32  -0.837   1.409  -6.389
  234    HA   ILE  32           HA       ILE  32  -0.011   0.124  -3.883
  235    HB   ILE  32           HB       ILE  32  -1.965  -0.764  -6.003
  236   HG12  ILE  32          2HG1      ILE  32  -2.889  -0.579  -3.246
  237   HG13  ILE  32          3HG1      ILE  32  -2.276   0.959  -3.842
  238   HG21  ILE  32          1HG2      ILE  32  -0.538  -2.287  -3.983
  239   HG22  ILE  32          2HG2      ILE  32  -2.289  -2.420  -3.822
  240   HG23  ILE  32          3HG2      ILE  32  -1.509  -2.846  -5.344
  241   HD11  ILE  32          1HD1      ILE  32  -4.058   1.279  -5.129
  242   HD12  ILE  32          2HD1      ILE  32  -4.019  -0.374  -5.746
  243   HD13  ILE  32          3HD1      ILE  32  -4.807  -0.026  -4.207
  244    H    PHE  33           HN       PHE  33   1.272  -1.696  -3.847
  245    HA   PHE  33           HA       PHE  33   2.235  -2.831  -6.342
  246    HB2  PHE  33          2HB       PHE  33   4.205  -1.707  -4.344
  247    HB3  PHE  33          3HB       PHE  33   4.565  -2.426  -5.911
  248    HD1  PHE  33          1HD       PHE  33   3.888  -1.223  -7.991
  249    HD2  PHE  33          2HD       PHE  33   3.672   0.575  -4.138
  250    HE1  PHE  33          1HE       PHE  33   3.782   1.002  -9.039
  251    HE2  PHE  33          2HE       PHE  33   3.564   2.801  -5.179
  252    HZ   PHE  33           HZ       PHE  33   3.618   3.017  -7.632
  253    H    HIS  34           HN       HIS  34   3.341  -4.837  -6.069
  254    HA   HIS  34           HA       HIS  34   2.265  -6.591  -4.265
  255    HB2  HIS  34          2HB       HIS  34   4.899  -6.647  -5.723
  256    HB3  HIS  34          3HB       HIS  34   4.382  -7.984  -4.699
  257    HD2  HIS  34          2HD       HIS  34   1.194  -7.932  -5.769
  258    HE1  HIS  34          1HE       HIS  34   3.016  -8.833  -9.493
  259    HE2  HIS  34          2HE       HIS  34   0.858  -8.755  -8.198
  260    H    THR  35           HN       THR  35   2.529  -7.063  -2.176
  261    HA   THR  35           HA       THR  35   3.956  -5.414  -0.437
  262    HB   THR  35           HB       THR  35   2.839  -8.189  -0.052
  263    HG1  THR  35          1HG       THR  35   1.097  -7.108   0.483
  264   HG21  THR  35          1HG2      THR  35   4.245  -6.399   1.919
  265   HG22  THR  35          2HG2      THR  35   4.576  -8.091   1.550
  266   HG23  THR  35          3HG2      THR  35   3.107  -7.648   2.419
  267    H    SER  36           HN       SER  36   4.911  -8.313  -2.124
  268    HA   SER  36           HA       SER  36   7.299  -8.716  -0.563
  269    HB2  SER  36          2HB       SER  36   7.824 -10.381  -2.420
  270    HB3  SER  36          3HB       SER  36   6.354 -10.689  -1.497
  271    HG   SER  36           HG       SER  36   5.313 -10.566  -3.305
  272    H    CYS  37           HN       CYS  37   6.451  -7.253  -3.647
  273    HA   CYS  37           HA       CYS  37   9.124  -6.833  -4.526
  274    HB2  CYS  37          2HB       CYS  37   6.514  -5.537  -5.328
  275    HB3  CYS  37          3HB       CYS  37   8.050  -5.218  -6.129
  276    H    LEU  38           HN       LEU  38   6.922  -5.065  -2.487
  277    HA   LEU  38           HA       LEU  38   8.287  -2.571  -2.576
  278    HB2  LEU  38          2HB       LEU  38   6.243  -3.798  -0.771
  279    HB3  LEU  38          3HB       LEU  38   7.022  -2.282  -0.322
  280    HG   LEU  38           HG       LEU  38   5.332  -2.781  -2.770
  281   HD11  LEU  38          1HD1      LEU  38   3.834  -1.134  -1.715
  282   HD12  LEU  38          2HD1      LEU  38   4.873  -1.129  -0.291
  283   HD13  LEU  38          3HD1      LEU  38   4.017  -2.600  -0.751
  284   HD21  LEU  38          1HD2      LEU  38   7.364  -0.823  -2.274
  285   HD22  LEU  38          2HD2      LEU  38   5.789  -0.037  -2.376
  286   HD23  LEU  38          3HD2      LEU  38   6.357  -1.049  -3.704
  287    H    ARG  39           HN       ARG  39   8.475  -5.403  -0.483
  288    HA   ARG  39           HA       ARG  39  10.186  -4.294   1.465
  289    HB2  ARG  39          2HB       ARG  39   9.806  -7.164   0.599
  290    HB3  ARG  39          3HB       ARG  39  10.705  -6.667   2.026
  291    HG2  ARG  39          2HG       ARG  39   7.808  -6.826   1.574
  292    HG3  ARG  39          3HG       ARG  39   8.745  -7.031   3.055
  293    HD2  ARG  39          2HD       ARG  39   8.135  -4.386   1.742
  294    HD3  ARG  39          3HD       ARG  39   7.257  -5.059   3.115
  295    HE   ARG  39           HE       ARG  39   9.729  -3.679   3.203
  296   HH11  ARG  39          1HH1      ARG  39   8.006  -6.331   4.659
  297   HH12  ARG  39          2HH1      ARG  39   8.849  -6.220   6.168
  298   HH21  ARG  39          1HH2      ARG  39  10.846  -3.523   5.185
  299   HH22  ARG  39          2HH2      ARG  39  10.463  -4.623   6.467
  300    H    SER  40           HN       SER  40  10.871  -6.268  -1.414
  301    HA   SER  40           HA       SER  40  13.714  -6.074  -1.058
  302    HB2  SER  40          2HB       SER  40  12.282  -7.920  -2.277
  303    HB3  SER  40          3HB       SER  40  12.472  -6.853  -3.669
  304    HG   SER  40           HG       SER  40  14.771  -7.393  -2.215
  305    H    TRP  41           HN       TRP  41  11.337  -4.046  -2.340
  306    HA   TRP  41           HA       TRP  41  13.087  -2.745  -4.260
  307    HB2  TRP  41          2HB       TRP  41  10.795  -2.892  -4.920
  308    HB3  TRP  41          3HB       TRP  41  10.243  -2.227  -3.385
  309    HD1  TRP  41          1HD       TRP  41   9.993   0.353  -3.226
  310    HE1  TRP  41          1HE       TRP  41  10.414   2.307  -4.848
  311    HE3  TRP  41          3HE       TRP  41  12.474  -2.172  -6.916
  312    HZ2  TRP  41          2HZ       TRP  41  11.634   2.723  -7.359
  313    HZ3  TRP  41          3HZ       TRP  41  13.234  -0.922  -8.894
  314    HH2  TRP  41          2HH       TRP  41  12.822   1.474  -9.110
  315    H    PHE  42           HN       PHE  42  11.561  -2.019  -1.144
  316    HA   PHE  42           HA       PHE  42  12.647   0.604  -0.940
  317    HB2  PHE  42          2HB       PHE  42  11.428  -1.272   1.085
  318    HB3  PHE  42          3HB       PHE  42  12.002   0.337   1.508
  319    HD1  PHE  42          1HD       PHE  42  11.145   2.047  -0.594
  320    HD2  PHE  42          2HD       PHE  42   9.137  -1.310   1.085
  321    HE1  PHE  42          1HE       PHE  42   8.983   2.999  -1.284
  322    HE2  PHE  42          2HE       PHE  42   6.973  -0.364   0.396
  323    HZ   PHE  42           HZ       PHE  42   6.894   1.793  -0.789
  324    H    GLN  43           HN       GLN  43  14.096  -2.377  -0.783
  325    HA   GLN  43           HA       GLN  43  15.913  -2.036   1.361
  326    HB2  GLN  43          2HB       GLN  43  15.549  -3.903  -0.872
  327    HB3  GLN  43          3HB       GLN  43  17.231  -3.672  -0.408
  328    HG2  GLN  43          2HG       GLN  43  15.688  -4.004   1.954
  329    HG3  GLN  43          3HG       GLN  43  15.268  -5.288   0.822
  330   HE21  GLN  43          1HE2      GLN  43  16.373  -7.046   1.263
  331   HE22  GLN  43          2HE2      GLN  43  18.040  -7.121   1.706
  332    H    ARG  44           HN       ARG  44  16.010  -1.168  -2.050
  333    HA   ARG  44           HA       ARG  44  18.473   0.356  -1.514
  334    HB2  ARG  44          2HB       ARG  44  17.788  -1.005  -4.123
  335    HB3  ARG  44          3HB       ARG  44  19.266  -0.130  -3.749
  336    HG2  ARG  44          2HG       ARG  44  20.140  -1.841  -2.536
  337    HG3  ARG  44          3HG       ARG  44  18.559  -2.428  -2.017
  338    HD2  ARG  44          2HD       ARG  44  18.155  -3.443  -4.133
  339    HD3  ARG  44          3HD       ARG  44  19.564  -2.657  -4.845
  340    HE   ARG  44           HE       ARG  44  20.143  -4.409  -2.623
  341   HH11  ARG  44          1HH1      ARG  44  19.787  -4.118  -6.075
  342   HH12  ARG  44          2HH1      ARG  44  20.755  -5.512  -6.423
  343   HH21  ARG  44          1HH2      ARG  44  21.419  -6.246  -3.069
  344   HH22  ARG  44          2HH2      ARG  44  21.682  -6.722  -4.712
  345    H    GLN  45           HN       GLN  45  15.264   0.408  -2.486
  346    HA   GLN  45           HA       GLN  45  15.610   3.085  -3.664
  347    HB2  GLN  45          2HB       GLN  45  13.964   0.779  -4.573
  348    HB3  GLN  45          3HB       GLN  45  13.277   2.389  -4.753
  349    HG2  GLN  45          2HG       GLN  45  14.366   1.800  -6.788
  350    HG3  GLN  45          3HG       GLN  45  15.311   3.061  -5.998
  351   HE21  GLN  45          1HE2      GLN  45  17.373   2.723  -6.392
  352   HE22  GLN  45          2HE2      GLN  45  18.191   1.204  -6.305
  353    H    GLN  46           HN       GLN  46  15.267   4.126  -1.696
  354    HA   GLN  46           HA       GLN  46  12.925   3.565  -0.116
  355    HB2  GLN  46          2HB       GLN  46  15.262   4.489   0.634
  356    HB3  GLN  46          3HB       GLN  46  14.567   6.048   0.209
  357    HG2  GLN  46          2HG       GLN  46  12.755   5.695   1.782
  358    HG3  GLN  46          3HG       GLN  46  13.391   4.099   2.178
  359   HE21  GLN  46          1HE2      GLN  46  13.275   5.111   4.361
  360   HE22  GLN  46          2HE2      GLN  46  14.663   5.980   4.911
  361    H    THR  47           HN       THR  47  12.152   4.141  -2.698
  362    HA   THR  47           HA       THR  47  10.415   6.403  -2.245
  363    HB   THR  47           HB       THR  47  11.421   6.846  -4.871
  364    HG1  THR  47          1HG       THR  47  13.348   5.820  -3.869
  365   HG21  THR  47          1HG2      THR  47  10.313   8.487  -3.394
  366   HG22  THR  47          2HG2      THR  47  11.851   9.080  -4.021
  367   HG23  THR  47          3HG2      THR  47  11.742   8.494  -2.361
  368    H    CYS  48           HN       CYS  48   8.596   6.414  -3.588
  369    HA   CYS  48           HA       CYS  48   7.532   4.021  -4.375
  370    HB2  CYS  48          2HB       CYS  48   6.558   6.509  -4.263
  371    HB3  CYS  48          3HB       CYS  48   6.771   6.389  -6.006
  372    HA   PRO  49           HA       PRO  49   9.755   2.877  -8.019
  373    HB2  PRO  49          2HB       PRO  49   8.064   0.931  -8.873
  374    HB3  PRO  49          3HB       PRO  49   9.163   0.717  -7.504
  375    HG2  PRO  49          2HG       PRO  49   6.243   1.378  -7.503
  376    HG3  PRO  49          3HG       PRO  49   7.134   0.243  -6.473
  377    HD2  PRO  49          2HD       PRO  49   6.424   2.719  -5.638
  378    HD3  PRO  49          3HD       PRO  49   7.905   1.913  -5.083
  379    H    THR  50           HN       THR  50   6.980   4.641  -7.933
  380    HA   THR  50           HA       THR  50   6.934   4.895 -10.861
  381    HB   THR  50           HB       THR  50   4.954   3.576 -10.062
  382    HG1  THR  50          1HG       THR  50   3.636   5.727 -11.002
  383   HG21  THR  50          1HG2      THR  50   4.700   4.853  -7.918
  384   HG22  THR  50          2HG2      THR  50   3.205   4.649  -8.831
  385   HG23  THR  50          3HG2      THR  50   4.055   6.193  -8.863
  386    H    CYS  51           HN       CYS  51   5.834   6.372  -7.812
  387    HA   CYS  51           HA       CYS  51   6.033   9.018  -9.043
  388    HB2  CYS  51          2HB       CYS  51   4.616   9.808  -7.389
  389    HB3  CYS  51          3HB       CYS  51   4.049   8.151  -7.572
  390    H    ARG  52           HN       ARG  52   7.975   6.929  -7.371
  391    HA   ARG  52           HA       ARG  52   9.728   7.173  -5.879
  392    HB2  ARG  52          2HB       ARG  52  10.226   9.185  -8.073
  393    HB3  ARG  52          3HB       ARG  52  11.435   8.776  -6.863
  394    HG2  ARG  52          2HG       ARG  52  11.378   6.445  -7.591
  395    HG3  ARG  52          3HG       ARG  52  10.168   6.858  -8.806
  396    HD2  ARG  52          2HD       ARG  52  12.731   8.373  -8.762
  397    HD3  ARG  52          3HD       ARG  52  12.731   6.733  -9.407
  398    HE   ARG  52           HE       ARG  52  11.703   9.058 -10.674
  399   HH11  ARG  52          1HH1      ARG  52  11.159   5.641 -10.292
  400   HH12  ARG  52          2HH1      ARG  52  10.356   5.465 -11.817
  401   HH21  ARG  52          1HH2      ARG  52  10.647   8.840 -12.684
  402   HH22  ARG  52          2HH2      ARG  52  10.065   7.286 -13.177
  403    H    MET  53           HN       MET  53   7.875   8.215  -4.439
  404    HA   MET  53           HA       MET  53   8.982  10.757  -3.461
  405    HB2  MET  53          2HB       MET  53   6.812  11.046  -4.742
  406    HB3  MET  53          3HB       MET  53   6.031  10.127  -3.463
  407    HG2  MET  53          2HG       MET  53   6.756  11.809  -1.831
  408    HG3  MET  53          3HG       MET  53   7.491  12.738  -3.137
  409    HE1  MET  53          1HE       MET  53   4.376  10.938  -2.020
  410    HE2  MET  53          2HE       MET  53   3.028  11.977  -2.480
  411    HE3  MET  53          3HE       MET  53   3.807  10.957  -3.689
  412    H    ASP  54           HN       ASP  54   9.657  10.558  -1.439
  413    HA   ASP  54           HA       ASP  54   9.691   8.437   0.176
  414    HB2  ASP  54          2HB       ASP  54  10.822  10.385   0.912
  415    HB3  ASP  54          3HB       ASP  54   9.334  11.329   0.946
  416    H    VAL  55           HN       VAL  55   8.301   7.141   1.179
  417    HA   VAL  55           HA       VAL  55   5.548   8.108   1.600
  418    HB   VAL  55           HB       VAL  55   4.893   5.672   1.471
  419   HG11  VAL  55          1HG1      VAL  55   5.441   7.550  -0.593
  420   HG12  VAL  55          2HG1      VAL  55   5.802   5.932  -1.199
  421   HG13  VAL  55          3HG1      VAL  55   4.204   6.294  -0.545
  422   HG21  VAL  55          1HG2      VAL  55   7.008   4.611   1.825
  423   HG22  VAL  55          2HG2      VAL  55   6.470   4.213   0.194
  424   HG23  VAL  55          3HG2      VAL  55   7.715   5.438   0.437
  425    H    LEU  56           HN       LEU  56   8.063   5.936   2.848
  426    HA   LEU  56           HA       LEU  56   7.028   4.927   5.107
  427    HB2  LEU  56          2HB       LEU  56   9.716   6.240   4.775
  428    HB3  LEU  56          3HB       LEU  56   9.270   5.290   6.190
  429    HG   LEU  56           HG       LEU  56  10.376   3.694   5.011
  430   HD11  LEU  56          1HD1      LEU  56   7.726   3.503   3.594
  431   HD12  LEU  56          2HD1      LEU  56   7.978   3.025   5.272
  432   HD13  LEU  56          3HD1      LEU  56   8.844   2.193   3.980
  433   HD21  LEU  56          1HD2      LEU  56  11.208   4.255   3.032
  434   HD22  LEU  56          2HD2      LEU  56  10.004   5.530   2.844
  435   HD23  LEU  56          3HD2      LEU  56   9.645   3.890   2.302
  Start of MODEL   18
    1    H1   ALA   1           HN       ALA   1  -4.312  -4.058   0.064
    2    HA   ALA   1           HA       ALA   1  -5.731  -1.798  -0.553
    3    HB1  ALA   1          1HB       ALA   1  -3.901  -2.248  -1.918
    4    HB2  ALA   1          2HB       ALA   1  -4.461  -3.876  -2.298
    5    HB3  ALA   1          3HB       ALA   1  -5.281  -2.478  -2.992
    6    H    THR   2           HN       THR   2  -7.670  -1.301  -1.451
    7    HA   THR   2           HA       THR   2  -9.695  -3.360  -1.438
    8    HB   THR   2           HB       THR   2 -11.057  -1.229  -2.324
    9    HG1  THR   2          1HG       THR   2  -8.948  -0.051  -2.336
   10   HG21  THR   2          1HG2      THR   2 -11.618  -2.344  -0.286
   11   HG22  THR   2          2HG2      THR   2 -11.419  -0.632   0.092
   12   HG23  THR   2          3HG2      THR   2 -10.143  -1.779   0.496
   13    HA   PRO   3           HA       PRO   3  -9.953  -4.213  -5.735
   14    HB2  PRO   3          2HB       PRO   3 -12.633  -4.421  -6.120
   15    HB3  PRO   3          3HB       PRO   3 -11.690  -5.636  -5.248
   16    HG2  PRO   3          2HG       PRO   3 -13.380  -3.414  -4.165
   17    HG3  PRO   3          3HG       PRO   3 -13.261  -5.097  -3.620
   18    HD2  PRO   3          2HD       PRO   3 -11.984  -3.065  -2.365
   19    HD3  PRO   3          3HD       PRO   3 -11.319  -4.711  -2.440
   20    H    GLU   4           HN       GLU   4 -11.944  -1.561  -4.542
   21    HA   GLU   4           HA       GLU   4 -12.526  -0.456  -7.102
   22    HB2  GLU   4          2HB       GLU   4 -13.622  -0.070  -4.717
   23    HB3  GLU   4          3HB       GLU   4 -12.472   1.258  -4.663
   24    HG2  GLU   4          2HG       GLU   4 -13.433   2.298  -6.548
   25    HG3  GLU   4          3HG       GLU   4 -14.382   0.867  -6.945
   26    H    GLU   5           HN       GLU   5  -9.959  -0.015  -4.753
   27    HA   GLU   5           HA       GLU   5  -8.824   2.243  -6.154
   28    HB2  GLU   5          2HB       GLU   5  -7.711   0.594  -3.877
   29    HB3  GLU   5          3HB       GLU   5  -7.034   2.103  -4.474
   30    HG2  GLU   5          2HG       GLU   5  -9.833   1.911  -3.415
   31    HG3  GLU   5          3HG       GLU   5  -8.445   2.220  -2.374
   32    H    LEU   6           HN       LEU   6  -8.294  -1.212  -5.919
   33    HA   LEU   6           HA       LEU   6  -5.768  -1.255  -7.218
   34    HB2  LEU   6          2HB       LEU   6  -7.848  -3.272  -6.533
   35    HB3  LEU   6          3HB       LEU   6  -6.600  -3.709  -7.698
   36    HG   LEU   6           HG       LEU   6  -6.015  -2.721  -4.911
   37   HD11  LEU   6          1HD1      LEU   6  -7.261  -4.814  -4.797
   38   HD12  LEU   6          2HD1      LEU   6  -5.575  -5.053  -4.340
   39   HD13  LEU   6          3HD1      LEU   6  -6.135  -5.554  -5.935
   40   HD21  LEU   6          1HD2      LEU   6  -3.852  -4.045  -5.545
   41   HD22  LEU   6          2HD2      LEU   6  -4.077  -2.386  -6.102
   42   HD23  LEU   6          3HD2      LEU   6  -4.389  -3.735  -7.196
   43    H    GLN   7           HN       GLN   7  -9.020  -2.139  -8.394
   44    HA   GLN   7           HA       GLN   7  -8.209  -2.396 -11.097
   45    HB2  GLN   7          2HB       GLN   7 -10.500  -2.967  -9.631
   46    HB3  GLN   7          3HB       GLN   7 -11.017  -1.719 -10.756
   47    HG2  GLN   7          2HG       GLN   7  -9.411  -3.921 -11.886
   48    HG3  GLN   7          3HG       GLN   7 -11.035  -4.328 -11.333
   49   HE21  GLN   7          1HE2      GLN   7 -12.817  -3.364 -12.334
   50   HE22  GLN   7          2HE2      GLN   7 -12.694  -2.625 -13.890
   51    H    ALA   8           HN       ALA   8  -8.375   0.300  -9.230
   52    HA   ALA   8           HA       ALA   8  -9.265   2.060 -11.401
   53    HB1  ALA   8          1HB       ALA   8  -9.052   2.356  -8.448
   54    HB2  ALA   8          2HB       ALA   8  -8.924   3.799  -9.455
   55    HB3  ALA   8          3HB       ALA   8 -10.369   2.793  -9.537
   56    H    MET   9           HN       MET   9  -6.559   0.594 -10.903
   57    HA   MET   9           HA       MET   9  -4.941   2.745 -11.936
   58    HB2  MET   9          2HB       MET   9  -3.219   2.655 -10.237
   59    HB3  MET   9          3HB       MET   9  -4.756   3.068  -9.489
   60    HG2  MET   9          2HG       MET   9  -4.740   1.257  -8.198
   61    HG3  MET   9          3HG       MET   9  -4.245   0.207  -9.524
   62    HE1  MET   9          1HE       MET   9  -2.249  -0.784  -9.832
   63    HE2  MET   9          2HE       MET   9  -1.253   0.574 -10.357
   64    HE3  MET   9          3HE       MET   9  -0.697  -0.475  -9.053
   65    H    ASP  10           HN       ASP  10  -5.893   0.180 -12.865
   66    HA   ASP  10           HA       ASP  10  -5.069  -1.465 -14.222
   67    HB2  ASP  10          2HB       ASP  10  -2.978   0.323 -14.145
   68    HB3  ASP  10          3HB       ASP  10  -2.227  -1.164 -13.573
   69    H    ASN  11           HN       ASN  11  -4.679  -1.217 -10.949
   70    HA   ASN  11           HA       ASN  11  -3.977  -2.651  -9.276
   71    HB2  ASN  11          2HB       ASN  11  -5.432  -4.484  -9.125
   72    HB3  ASN  11          3HB       ASN  11  -6.307  -3.345 -10.144
   73   HD21  ASN  11          1HD2      ASN  11  -4.779  -6.410  -9.946
   74   HD22  ASN  11          2HD2      ASN  11  -5.186  -6.963 -11.532
   75    H    VAL  12           HN       VAL  12  -2.038  -2.481 -11.409
   76    HA   VAL  12           HA       VAL  12  -0.904  -5.200 -11.274
   77    HB   VAL  12           HB       VAL  12  -0.870  -3.189 -13.494
   78   HG11  VAL  12          1HG1      VAL  12   1.353  -3.471 -13.675
   79   HG12  VAL  12          2HG1      VAL  12   1.356  -4.915 -12.662
   80   HG13  VAL  12          3HG1      VAL  12   0.916  -5.032 -14.366
   81   HG21  VAL  12          1HG2      VAL  12  -1.917  -4.786 -14.684
   82   HG22  VAL  12          2HG2      VAL  12  -0.919  -6.081 -14.019
   83   HG23  VAL  12          3HG2      VAL  12  -2.292  -5.465 -13.099
   84    H    CYS  13           HN       CYS  13   0.990  -5.406 -10.272
   85    HA   CYS  13           HA       CYS  13   2.203  -3.250  -8.923
   86    HB2  CYS  13          2HB       CYS  13   2.398  -5.507  -8.068
   87    HB3  CYS  13          3HB       CYS  13   3.236  -6.027  -9.527
   88    H    ILE  14           HN       ILE  14   3.291  -1.650  -9.842
   89    HA   ILE  14           HA       ILE  14   4.380  -1.738 -12.443
   90    HB   ILE  14           HB       ILE  14   3.695   0.314 -11.011
   91   HG12  ILE  14          2HG1      ILE  14   4.477   0.549 -13.278
   92   HG13  ILE  14          3HG1      ILE  14   5.298   1.751 -12.289
   93   HG21  ILE  14          1HG2      ILE  14   6.595   0.054 -10.225
   94   HG22  ILE  14          2HG2      ILE  14   5.545   1.427  -9.878
   95   HG23  ILE  14          3HG2      ILE  14   5.212  -0.144  -9.149
   96   HD11  ILE  14          1HD1      ILE  14   7.063   0.982 -13.480
   97   HD12  ILE  14          2HD1      ILE  14   7.116  -0.168 -12.143
   98   HD13  ILE  14          3HD1      ILE  14   6.374  -0.630 -13.675
   99    H    ILE  15           HN       ILE  15   5.909  -1.908  -9.241
  100    HA   ILE  15           HA       ILE  15   8.532  -1.859  -9.685
  101    HB   ILE  15           HB       ILE  15   7.164  -4.072  -8.150
  102   HG12  ILE  15          2HG1      ILE  15   8.401  -1.701  -6.842
  103   HG13  ILE  15          3HG1      ILE  15   6.860  -1.464  -7.658
  104   HG21  ILE  15          1HG2      ILE  15   9.980  -3.402  -8.585
  105   HG22  ILE  15          2HG2      ILE  15   9.532  -3.594  -6.891
  106   HG23  ILE  15          3HG2      ILE  15   9.241  -4.906  -8.032
  107   HD11  ILE  15          1HD1      ILE  15   7.492  -3.209  -5.312
  108   HD12  ILE  15          2HD1      ILE  15   6.288  -1.928  -5.455
  109   HD13  ILE  15          3HD1      ILE  15   6.047  -3.463  -6.289
  110    H    CYS  16           HN       CYS  16   6.577  -4.771 -10.322
  111    HA   CYS  16           HA       CYS  16   8.726  -5.709 -12.108
  112    HB2  CYS  16          2HB       CYS  16   7.931  -7.987 -11.686
  113    HB3  CYS  16          3HB       CYS  16   8.365  -7.186 -10.179
  114    H    ARG  17           HN       ARG  17   5.823  -4.245 -12.179
  115    HA   ARG  17           HA       ARG  17   4.081  -4.102 -13.650
  116    HB2  ARG  17          2HB       ARG  17   6.416  -4.778 -15.430
  117    HB3  ARG  17          3HB       ARG  17   4.825  -4.403 -16.079
  118    HG2  ARG  17          2HG       ARG  17   5.184  -2.296 -14.435
  119    HG3  ARG  17          3HG       ARG  17   6.852  -2.635 -14.900
  120    HD2  ARG  17          2HD       ARG  17   5.516  -2.827 -17.286
  121    HD3  ARG  17          3HD       ARG  17   4.648  -1.528 -16.467
  122    HE   ARG  17           HE       ARG  17   6.436  -0.188 -16.882
  123   HH11  ARG  17          1HH1      ARG  17   7.530  -3.492 -16.865
  124   HH12  ARG  17          2HH1      ARG  17   9.161  -3.092 -17.291
  125   HH21  ARG  17          1HH2      ARG  17   8.580   0.352 -17.442
  126   HH22  ARG  17          2HH2      ARG  17   9.758  -0.904 -17.618
  127    H    GLU  18           HN       GLU  18   3.553  -6.267 -12.376
  128    HA   GLU  18           HA       GLU  18   3.130  -8.385 -14.380
  129    HB2  GLU  18          2HB       GLU  18   3.558  -8.516 -11.406
  130    HB3  GLU  18          3HB       GLU  18   2.798  -9.841 -12.277
  131    HG2  GLU  18          2HG       GLU  18   5.502  -8.728 -12.973
  132    HG3  GLU  18          3HG       GLU  18   5.251 -10.089 -11.880
  133    H    GLU  19           HN       GLU  19   1.564  -8.367 -11.277
  134    HA   GLU  19           HA       GLU  19  -0.827  -7.059 -12.003
  135    HB2  GLU  19          2HB       GLU  19  -0.568  -9.640 -13.108
  136    HB3  GLU  19          3HB       GLU  19  -1.702  -9.792 -11.774
  137    HG2  GLU  19          2HG       GLU  19  -3.318  -8.814 -12.931
  138    HG3  GLU  19          3HG       GLU  19  -2.279  -7.456 -13.360
  139    H    MET  20           HN       MET  20  -2.337  -7.002 -10.313
  140    HA   MET  20           HA       MET  20  -1.534  -8.388  -7.844
  141    HB2  MET  20          2HB       MET  20  -2.096  -5.481  -8.284
  142    HB3  MET  20          3HB       MET  20  -2.466  -6.206  -6.725
  143    HG2  MET  20          2HG       MET  20  -0.211  -6.754  -6.330
  144    HG3  MET  20          3HG       MET  20   0.237  -6.435  -8.004
  145    HE1  MET  20          1HE       MET  20  -1.617  -3.149  -7.925
  146    HE2  MET  20          2HE       MET  20   0.023  -2.730  -8.423
  147    HE3  MET  20          3HE       MET  20  -0.722  -4.219  -9.005
  148    H    VAL  21           HN       VAL  21  -3.118  -9.845  -7.586
  149    HA   VAL  21           HA       VAL  21  -5.880  -9.141  -8.188
  150    HB   VAL  21           HB       VAL  21  -6.215 -11.597  -7.357
  151   HG11  VAL  21          1HG1      VAL  21  -6.668 -11.356  -9.575
  152   HG12  VAL  21          2HG1      VAL  21  -5.124 -10.571  -9.919
  153   HG13  VAL  21          3HG1      VAL  21  -5.197 -12.320  -9.700
  154   HG21  VAL  21          1HG2      VAL  21  -4.340 -13.020  -7.436
  155   HG22  VAL  21          2HG2      VAL  21  -3.315 -11.766  -8.135
  156   HG23  VAL  21          3HG2      VAL  21  -3.838 -11.643  -6.455
  157    H    THR  22           HN       THR  22  -3.772  -9.446  -5.480
  158    HA   THR  22           HA       THR  22  -5.458  -8.210  -3.665
  159    HB   THR  22           HB       THR  22  -6.944 -10.081  -3.702
  160    HG1  THR  22          1HG       THR  22  -6.698 -10.810  -1.497
  161   HG21  THR  22          1HG2      THR  22  -4.462 -11.751  -3.328
  162   HG22  THR  22          2HG2      THR  22  -5.616 -11.806  -4.662
  163   HG23  THR  22          3HG2      THR  22  -6.091 -12.371  -3.060
  164    H    GLY  23           HN       GLY  23  -2.837 -10.410  -4.285
  165    HA2  GLY  23          1HA       GLY  23  -1.668 -10.236  -1.672
  166    HA3  GLY  23          2HA       GLY  23  -0.902 -10.881  -3.117
  167    H    ALA  24           HN       ALA  24  -2.172  -7.662  -2.268
  168    HA   ALA  24           HA       ALA  24   0.500  -6.539  -2.339
  169    HB1  ALA  24          1HB       ALA  24   0.405  -5.984  -4.497
  170    HB2  ALA  24          2HB       ALA  24  -1.316  -6.357  -4.603
  171    HB3  ALA  24          3HB       ALA  24  -0.791  -4.779  -4.019
  172    H    LYS  25           HN       LYS  25   0.545  -4.279  -1.675
  173    HA   LYS  25           HA       LYS  25  -1.761  -3.619   0.031
  174    HB2  LYS  25          2HB       LYS  25   1.011  -2.496   0.364
  175    HB3  LYS  25          3HB       LYS  25  -0.291  -2.564   1.546
  176    HG2  LYS  25          2HG       LYS  25   1.305  -4.895   0.503
  177    HG3  LYS  25          3HG       LYS  25   1.421  -4.165   2.107
  178    HD2  LYS  25          2HD       LYS  25  -1.301  -4.837   1.623
  179    HD3  LYS  25          3HD       LYS  25  -0.305  -6.240   1.229
  180    HE2  LYS  25          2HE       LYS  25  -0.733  -6.521   3.493
  181    HE3  LYS  25          3HE       LYS  25   0.857  -5.762   3.483
  182    HZ1  LYS  25          1HZ       LYS  25  -1.398  -4.882   4.803
  183    HZ2  LYS  25          2HZ       LYS  25  -1.185  -3.797   3.524
  184    HZ3  LYS  25          3HZ       LYS  25   0.067  -4.056   4.631
  185    H    ARG  26           HN       ARG  26  -1.514  -1.059   0.579
  186    HA   ARG  26           HA       ARG  26  -1.400   0.317  -2.023
  187    HB2  ARG  26          2HB       ARG  26  -3.724   0.021  -1.348
  188    HB3  ARG  26          3HB       ARG  26  -3.384   0.748   0.216
  189    HG2  ARG  26          2HG       ARG  26  -2.981   2.880  -0.786
  190    HG3  ARG  26          3HG       ARG  26  -3.078   2.188  -2.407
  191    HD2  ARG  26          2HD       ARG  26  -5.143   3.328  -1.879
  192    HD3  ARG  26          3HD       ARG  26  -5.430   1.592  -1.982
  193    HE   ARG  26           HE       ARG  26  -4.989   1.986   0.656
  194   HH11  ARG  26          1HH1      ARG  26  -7.110   3.485  -1.662
  195   HH12  ARG  26          2HH1      ARG  26  -8.334   3.859  -0.494
  196   HH21  ARG  26          1HH2      ARG  26  -6.592   2.473   2.202
  197   HH22  ARG  26          2HH2      ARG  26  -8.039   3.284   1.703
  198    H    LEU  27           HN       LEU  27  -0.353   2.238  -2.096
  199    HA   LEU  27           HA       LEU  27   1.118   3.024   0.291
  200    HB2  LEU  27          2HB       LEU  27   1.306   3.882  -2.590
  201    HB3  LEU  27          3HB       LEU  27   2.297   4.560  -1.300
  202    HG   LEU  27           HG       LEU  27   2.316   1.695  -2.247
  203   HD11  LEU  27          1HD1      LEU  27   4.445   3.814  -2.458
  204   HD12  LEU  27          2HD1      LEU  27   3.359   3.357  -3.770
  205   HD13  LEU  27          3HD1      LEU  27   4.495   2.178  -3.114
  206   HD21  LEU  27          1HD2      LEU  27   2.871   1.457  -0.034
  207   HD22  LEU  27          2HD2      LEU  27   3.562   3.075   0.083
  208   HD23  LEU  27          3HD2      LEU  27   4.455   1.792  -0.734
  209    HA   PRO  28           HA       PRO  28  -1.316   6.546   1.267
  210    HB2  PRO  28          2HB       PRO  28   0.581   8.242   2.215
  211    HB3  PRO  28          3HB       PRO  28   0.034   6.816   3.106
  212    HG2  PRO  28          2HG       PRO  28   2.482   7.172   1.422
  213    HG3  PRO  28          3HG       PRO  28   2.314   6.375   2.997
  214    HD2  PRO  28          2HD       PRO  28   2.430   4.994   0.671
  215    HD3  PRO  28          3HD       PRO  28   1.488   4.433   2.068
  216    H    CYS  29           HN       CYS  29   0.684   6.466  -1.345
  217    HA   CYS  29           HA       CYS  29   0.110   9.262  -2.078
  218    HB2  CYS  29          2HB       CYS  29   1.973   8.871  -3.796
  219    HB3  CYS  29          3HB       CYS  29   2.452   9.037  -2.110
  220    H    ASN  30           HN       ASN  30  -1.474   6.663  -2.353
  221    HA   ASN  30           HA       ASN  30  -2.997   5.834  -3.830
  222    HB2  ASN  30          2HB       ASN  30  -2.258   7.836  -5.922
  223    HB3  ASN  30          3HB       ASN  30  -3.847   7.228  -5.464
  224   HD21  ASN  30          1HD2      ASN  30  -3.234   7.658  -2.600
  225   HD22  ASN  30          2HD2      ASN  30  -3.415   9.358  -2.349
  226    H    HIS  31           HN       HIS  31  -0.641   4.532  -3.740
  227    HA   HIS  31           HA       HIS  31  -0.382   3.565  -6.481
  228    HB2  HIS  31          2HB       HIS  31   1.953   4.453  -4.780
  229    HB3  HIS  31          3HB       HIS  31   2.116   3.469  -6.231
  230    HD2  HIS  31          2HD       HIS  31   0.501   5.022  -8.431
  231    HE1  HIS  31          1HE       HIS  31   2.410   8.555  -7.063
  232    HE2  HIS  31          2HE       HIS  31   1.050   7.505  -8.904
  233    H    ILE  32           HN       ILE  32  -1.002   1.515  -6.270
  234    HA   ILE  32           HA       ILE  32  -0.304   0.021  -3.860
  235    HB   ILE  32           HB       ILE  32  -2.238  -0.470  -6.103
  236   HG12  ILE  32          2HG1      ILE  32  -2.999  -0.906  -3.295
  237   HG13  ILE  32          3HG1      ILE  32  -2.501   0.743  -3.662
  238   HG21  ILE  32          1HG2      ILE  32  -0.841  -2.466  -4.480
  239   HG22  ILE  32          2HG2      ILE  32  -2.597  -2.614  -4.458
  240   HG23  ILE  32          3HG2      ILE  32  -1.730  -2.651  -5.992
  241   HD11  ILE  32          1HD1      ILE  32  -4.619   1.045  -4.269
  242   HD12  ILE  32          2HD1      ILE  32  -4.183   0.165  -5.734
  243   HD13  ILE  32          3HD1      ILE  32  -4.930  -0.687  -4.382
  244    H    PHE  33           HN       PHE  33   1.050  -1.700  -3.817
  245    HA   PHE  33           HA       PHE  33   2.043  -2.849  -6.295
  246    HB2  PHE  33          2HB       PHE  33   3.942  -1.624  -4.284
  247    HB3  PHE  33          3HB       PHE  33   4.387  -2.467  -5.766
  248    HD1  PHE  33          1HD       PHE  33   3.120  -1.437  -7.922
  249    HD2  PHE  33          2HD       PHE  33   4.085   0.655  -4.344
  250    HE1  PHE  33          1HE       PHE  33   3.057   0.692  -9.154
  251    HE2  PHE  33          2HE       PHE  33   4.022   2.787  -5.568
  252    HZ   PHE  33           HZ       PHE  33   3.507   2.808  -7.977
  253    H    HIS  34           HN       HIS  34   3.505  -4.725  -5.862
  254    HA   HIS  34           HA       HIS  34   2.311  -6.537  -4.112
  255    HB2  HIS  34          2HB       HIS  34   4.977  -6.531  -5.513
  256    HB3  HIS  34          3HB       HIS  34   4.479  -7.870  -4.483
  257    HD2  HIS  34          2HD       HIS  34   1.302  -7.871  -5.642
  258    HE1  HIS  34          1HE       HIS  34   3.254  -8.861  -9.277
  259    HE2  HIS  34          2HE       HIS  34   1.052  -8.764  -8.058
  260    H    THR  35           HN       THR  35   2.744  -7.231  -2.068
  261    HA   THR  35           HA       THR  35   4.002  -5.439  -0.281
  262    HB   THR  35           HB       THR  35   3.429  -8.320   0.377
  263    HG1  THR  35          1HG       THR  35   1.512  -7.730  -0.481
  264   HG21  THR  35          1HG2      THR  35   2.571  -6.803   2.459
  265   HG22  THR  35          2HG2      THR  35   3.908  -5.823   1.858
  266   HG23  THR  35          3HG2      THR  35   4.188  -7.496   2.337
  267    H    SER  36           HN       SER  36   5.182  -8.076  -2.149
  268    HA   SER  36           HA       SER  36   7.564  -8.418  -0.514
  269    HB2  SER  36          2HB       SER  36   7.418  -9.727  -3.164
  270    HB3  SER  36          3HB       SER  36   7.875 -10.396  -1.599
  271    HG   SER  36           HG       SER  36   5.922 -11.293  -2.207
  272    H    CYS  37           HN       CYS  37   6.582  -6.990  -3.561
  273    HA   CYS  37           HA       CYS  37   9.229  -6.456  -4.494
  274    HB2  CYS  37          2HB       CYS  37   6.548  -5.312  -5.298
  275    HB3  CYS  37          3HB       CYS  37   8.060  -4.960  -6.128
  276    H    LEU  38           HN       LEU  38   6.842  -4.691  -2.618
  277    HA   LEU  38           HA       LEU  38   8.122  -2.167  -2.710
  278    HB2  LEU  38          2HB       LEU  38   6.087  -3.419  -0.909
  279    HB3  LEU  38          3HB       LEU  38   6.770  -1.841  -0.525
  280    HG   LEU  38           HG       LEU  38   5.268  -2.516  -3.053
  281   HD11  LEU  38          1HD1      LEU  38   4.431  -1.295  -0.453
  282   HD12  LEU  38          2HD1      LEU  38   3.629  -2.536  -1.416
  283   HD13  LEU  38          3HD1      LEU  38   3.620  -0.857  -1.957
  284   HD21  LEU  38          1HD2      LEU  38   5.904  -0.546  -3.858
  285   HD22  LEU  38          2HD2      LEU  38   7.081  -0.467  -2.546
  286   HD23  LEU  38          3HD2      LEU  38   5.491   0.274  -2.352
  287    H    ARG  39           HN       ARG  39   7.887  -4.428   0.043
  288    HA   ARG  39           HA       ARG  39   9.751  -3.243   1.685
  289    HB2  ARG  39          2HB       ARG  39   9.184  -6.196   1.367
  290    HB3  ARG  39          3HB       ARG  39  10.033  -5.473   2.727
  291    HG2  ARG  39          2HG       ARG  39   7.871  -4.037   2.954
  292    HG3  ARG  39          3HG       ARG  39   7.144  -5.340   2.011
  293    HD2  ARG  39          2HD       ARG  39   7.247  -6.802   3.720
  294    HD3  ARG  39          3HD       ARG  39   8.826  -6.223   4.250
  295    HE   ARG  39           HE       ARG  39   7.783  -4.778   5.704
  296   HH11  ARG  39          1HH1      ARG  39   5.445  -6.132   3.509
  297   HH12  ARG  39          2HH1      ARG  39   4.078  -5.521   4.383
  298   HH21  ARG  39          1HH2      ARG  39   5.993  -3.969   6.862
  299   HH22  ARG  39          2HH2      ARG  39   4.391  -4.290   6.289
  300    H    SER  40           HN       SER  40  10.271  -5.303  -1.090
  301    HA   SER  40           HA       SER  40  13.109  -5.575  -0.563
  302    HB2  SER  40          2HB       SER  40  11.889  -7.446  -1.583
  303    HB3  SER  40          3HB       SER  40  11.464  -6.428  -2.958
  304    HG   SER  40           HG       SER  40  13.465  -7.917  -2.956
  305    H    TRP  41           HN       TRP  41  10.975  -3.593  -2.459
  306    HA   TRP  41           HA       TRP  41  12.976  -2.565  -4.223
  307    HB2  TRP  41          2HB       TRP  41  10.675  -2.500  -4.929
  308    HB3  TRP  41          3HB       TRP  41  10.212  -1.577  -3.502
  309    HD1  TRP  41          1HD       TRP  41  10.929   1.035  -3.449
  310    HE1  TRP  41          1HE       TRP  41  11.437   2.683  -5.360
  311    HE3  TRP  41          3HE       TRP  41  11.672  -2.319  -7.236
  312    HZ2  TRP  41          2HZ       TRP  41  12.069   2.575  -8.109
  313    HZ3  TRP  41          3HZ       TRP  41  12.224  -1.464  -9.477
  314    HH2  TRP  41          2HH       TRP  41  12.417   0.932  -9.902
  315    H    PHE  42           HN       PHE  42  11.521  -1.476  -1.192
  316    HA   PHE  42           HA       PHE  42  12.882   1.029  -1.146
  317    HB2  PHE  42          2HB       PHE  42  11.566  -0.528   1.089
  318    HB3  PHE  42          3HB       PHE  42  12.114   1.140   1.206
  319    HD1  PHE  42          1HD       PHE  42   9.275  -0.589   1.123
  320    HD2  PHE  42          2HD       PHE  42  11.228   2.404  -1.190
  321    HE1  PHE  42          1HE       PHE  42   7.094   0.178   0.281
  322    HE2  PHE  42          2HE       PHE  42   9.049   3.177  -2.034
  323    HZ   PHE  42           HZ       PHE  42   6.979   2.065  -1.298
  324    H    GLN  43           HN       GLN  43  13.859  -2.152  -0.544
  325    HA   GLN  43           HA       GLN  43  15.794  -1.676   1.486
  326    HB2  GLN  43          2HB       GLN  43  15.112  -3.909  -0.347
  327    HB3  GLN  43          3HB       GLN  43  16.741  -3.896   0.317
  328    HG2  GLN  43          2HG       GLN  43  15.062  -3.383   2.483
  329    HG3  GLN  43          3HG       GLN  43  14.259  -4.650   1.556
  330   HE21  GLN  43          1HE2      GLN  43  16.661  -5.803   0.515
  331   HE22  GLN  43          2HE2      GLN  43  17.441  -6.622   1.820
  332    H    ARG  44           HN       ARG  44  15.689  -0.958  -1.828
  333    HA   ARG  44           HA       ARG  44  18.581  -0.406  -1.814
  334    HB2  ARG  44          2HB       ARG  44  16.932  -1.414  -4.139
  335    HB3  ARG  44          3HB       ARG  44  18.608  -0.892  -4.246
  336    HG2  ARG  44          2HG       ARG  44  17.880  -3.034  -2.309
  337    HG3  ARG  44          3HG       ARG  44  18.003  -3.423  -4.026
  338    HD2  ARG  44          2HD       ARG  44  20.283  -2.422  -4.021
  339    HD3  ARG  44          3HD       ARG  44  20.144  -2.225  -2.275
  340    HE   ARG  44           HE       ARG  44  19.684  -4.916  -3.156
  341   HH11  ARG  44          1HH1      ARG  44  22.110  -2.583  -2.270
  342   HH12  ARG  44          2HH1      ARG  44  23.280  -3.777  -1.817
  343   HH21  ARG  44          1HH2      ARG  44  21.216  -6.498  -2.563
  344   HH22  ARG  44          2HH2      ARG  44  22.772  -6.005  -1.985
  345    H    GLN  45           HN       GLN  45  15.363   0.568  -2.724
  346    HA   GLN  45           HA       GLN  45  16.391   3.260  -3.289
  347    HB2  GLN  45          2HB       GLN  45  14.014   2.692  -4.836
  348    HB3  GLN  45          3HB       GLN  45  15.570   3.318  -5.368
  349    HG2  GLN  45          2HG       GLN  45  15.045   0.401  -4.874
  350    HG3  GLN  45          3HG       GLN  45  14.831   1.179  -6.441
  351   HE21  GLN  45          1HE2      GLN  45  16.539  -0.889  -6.264
  352   HE22  GLN  45          2HE2      GLN  45  18.174  -0.344  -6.386
  353    H    GLN  46           HN       GLN  46  15.698   4.291  -1.503
  354    HA   GLN  46           HA       GLN  46  13.189   3.725  -0.252
  355    HB2  GLN  46          2HB       GLN  46  15.325   4.619   0.852
  356    HB3  GLN  46          3HB       GLN  46  14.854   6.189   0.214
  357    HG2  GLN  46          2HG       GLN  46  12.567   5.238   1.460
  358    HG3  GLN  46          3HG       GLN  46  13.886   4.771   2.533
  359   HE21  GLN  46          1HE2      GLN  46  15.063   6.337   3.579
  360   HE22  GLN  46          2HE2      GLN  46  14.590   7.999   3.618
  361    H    THR  47           HN       THR  47  12.233   4.098  -2.580
  362    HA   THR  47           HA       THR  47  10.701   6.517  -2.411
  363    HB   THR  47           HB       THR  47  11.630   6.607  -5.091
  364    HG1  THR  47          1HG       THR  47  13.761   6.806  -3.210
  365   HG21  THR  47          1HG2      THR  47  12.449   8.564  -2.975
  366   HG22  THR  47          2HG2      THR  47  10.752   8.406  -3.432
  367   HG23  THR  47          3HG2      THR  47  11.953   8.862  -4.640
  368    H    CYS  48           HN       CYS  48   8.939   6.574  -3.927
  369    HA   CYS  48           HA       CYS  48   7.759   4.071  -4.380
  370    HB2  CYS  48          2HB       CYS  48   6.881   6.666  -4.397
  371    HB3  CYS  48          3HB       CYS  48   6.800   6.249  -6.107
  372    HA   PRO  49           HA       PRO  49   9.655   2.760  -8.140
  373    HB2  PRO  49          2HB       PRO  49   7.801   0.923  -8.888
  374    HB3  PRO  49          3HB       PRO  49   8.948   0.649  -7.572
  375    HG2  PRO  49          2HG       PRO  49   6.082   1.500  -7.440
  376    HG3  PRO  49          3HG       PRO  49   6.945   0.318  -6.440
  377    HD2  PRO  49          2HD       PRO  49   6.439   2.842  -5.600
  378    HD3  PRO  49          3HD       PRO  49   7.889   1.945  -5.108
  379    H    THR  50           HN       THR  50   7.005   4.700  -7.941
  380    HA   THR  50           HA       THR  50   6.826   4.921 -10.869
  381    HB   THR  50           HB       THR  50   4.797   3.785 -10.107
  382    HG1  THR  50          1HG       THR  50   4.360   6.510 -10.834
  383   HG21  THR  50          1HG2      THR  50   4.152   6.250  -8.499
  384   HG22  THR  50          2HG2      THR  50   4.880   4.810  -7.788
  385   HG23  THR  50          3HG2      THR  50   3.286   4.715  -8.535
  386    H    CYS  51           HN       CYS  51   5.945   6.535  -7.813
  387    HA   CYS  51           HA       CYS  51   6.391   9.129  -9.106
  388    HB2  CYS  51          2HB       CYS  51   5.118  10.110  -7.355
  389    HB3  CYS  51          3HB       CYS  51   4.257   8.646  -7.819
  390    H    ARG  52           HN       ARG  52   8.094   6.910  -7.371
  391    HA   ARG  52           HA       ARG  52   9.819   7.009  -5.831
  392    HB2  ARG  52          2HB       ARG  52  10.828   9.235  -7.576
  393    HB3  ARG  52          3HB       ARG  52  11.730   7.924  -6.827
  394    HG2  ARG  52          2HG       ARG  52   9.672   7.256  -8.867
  395    HG3  ARG  52          3HG       ARG  52  11.216   7.927  -9.397
  396    HD2  ARG  52          2HD       ARG  52  11.355   5.743  -7.418
  397    HD3  ARG  52          3HD       ARG  52  10.772   5.297  -9.020
  398    HE   ARG  52           HE       ARG  52  13.450   6.038  -8.295
  399   HH11  ARG  52          1HH1      ARG  52  11.130   5.886 -10.887
  400   HH12  ARG  52          2HH1      ARG  52  12.331   5.830 -12.135
  401   HH21  ARG  52          1HH2      ARG  52  15.041   5.964  -9.928
  402   HH22  ARG  52          2HH2      ARG  52  14.556   5.872 -11.588
  403    H    MET  53           HN       MET  53   8.108   8.114  -4.350
  404    HA   MET  53           HA       MET  53   9.290  10.643  -3.424
  405    HB2  MET  53          2HB       MET  53   7.156  11.126  -4.523
  406    HB3  MET  53          3HB       MET  53   6.347   9.956  -3.488
  407    HG2  MET  53          2HG       MET  53   7.818  11.961  -1.985
  408    HG3  MET  53          3HG       MET  53   6.576  12.654  -3.027
  409    HE1  MET  53          1HE       MET  53   3.963  12.207  -2.739
  410    HE2  MET  53          2HE       MET  53   4.370  10.550  -3.185
  411    HE3  MET  53          3HE       MET  53   3.343  10.859  -1.784
  412    H    ASP  54           HN       ASP  54  10.162  10.347  -1.491
  413    HA   ASP  54           HA       ASP  54  10.199   8.234   0.130
  414    HB2  ASP  54          2HB       ASP  54  11.507  10.075   0.794
  415    HB3  ASP  54          3HB       ASP  54  10.113  11.149   0.872
  416    H    VAL  55           HN       VAL  55   8.740   6.970   1.054
  417    HA   VAL  55           HA       VAL  55   6.139   8.137   1.809
  418    HB   VAL  55           HB       VAL  55   5.344   5.700   1.667
  419   HG11  VAL  55          1HG1      VAL  55   5.532   7.764  -0.238
  420   HG12  VAL  55          2HG1      VAL  55   5.868   6.255  -1.090
  421   HG13  VAL  55          3HG1      VAL  55   4.367   6.442  -0.183
  422   HG21  VAL  55          1HG2      VAL  55   7.910   5.497   0.095
  423   HG22  VAL  55          2HG2      VAL  55   7.504   4.616   1.567
  424   HG23  VAL  55          3HG2      VAL  55   6.617   4.297   0.077
  425    H    LEU  56           HN       LEU  56   8.647   5.825   2.745
  426    HA   LEU  56           HA       LEU  56   8.914   4.641   4.718
  427    HB2  LEU  56          2HB       LEU  56   9.372   7.437   4.938
  428    HB3  LEU  56          3HB       LEU  56   8.717   6.866   6.472
  429    HG   LEU  56           HG       LEU  56  10.545   5.104   6.430
  430   HD11  LEU  56          1HD1      LEU  56  10.933   5.845   3.879
  431   HD12  LEU  56          2HD1      LEU  56  12.183   5.108   4.879
  432   HD13  LEU  56          3HD1      LEU  56  12.138   6.859   4.675
  433   HD21  LEU  56          1HD2      LEU  56  12.008   6.493   7.571
  434   HD22  LEU  56          2HD2      LEU  56  10.477   7.361   7.693
  435   HD23  LEU  56          3HD2      LEU  56  11.689   7.868   6.514
  Start of MODEL   19
    1    H1   ALA   1           HN       ALA   1  -4.351  -3.926   0.123
    2    HA   ALA   1           HA       ALA   1  -6.005  -2.131  -0.540
    3    HB1  ALA   1          1HB       ALA   1  -5.119  -3.879  -2.828
    4    HB2  ALA   1          2HB       ALA   1  -5.452  -2.147  -2.862
    5    HB3  ALA   1          3HB       ALA   1  -4.057  -2.760  -1.973
    6    H    THR   2           HN       THR   2  -7.932  -1.683  -1.658
    7    HA   THR   2           HA       THR   2  -9.903  -3.793  -1.471
    8    HB   THR   2           HB       THR   2 -11.256  -1.675  -2.541
    9    HG1  THR   2          1HG       THR   2 -10.005  -0.117  -0.796
   10   HG21  THR   2          1HG2      THR   2 -11.874  -2.928  -0.531
   11   HG22  THR   2          2HG2      THR   2 -11.962  -1.190  -0.244
   12   HG23  THR   2          3HG2      THR   2 -10.596  -2.118   0.373
   13    HA   PRO   3           HA       PRO   3 -10.231  -4.897  -5.706
   14    HB2  PRO   3          2HB       PRO   3 -12.914  -5.085  -6.072
   15    HB3  PRO   3          3HB       PRO   3 -11.989  -6.257  -5.126
   16    HG2  PRO   3          2HG       PRO   3 -13.639  -3.944  -4.185
   17    HG3  PRO   3          3HG       PRO   3 -13.546  -5.590  -3.533
   18    HD2  PRO   3          2HD       PRO   3 -12.234  -3.504  -2.413
   19    HD3  PRO   3          3HD       PRO   3 -11.595  -5.161  -2.384
   20    H    GLU   4           HN       GLU   4 -12.719  -2.456  -4.927
   21    HA   GLU   4           HA       GLU   4 -12.936  -1.424  -7.532
   22    HB2  GLU   4          2HB       GLU   4 -14.386  -1.080  -5.332
   23    HB3  GLU   4          3HB       GLU   4 -13.396   0.365  -5.193
   24    HG2  GLU   4          2HG       GLU   4 -14.434   0.058  -7.868
   25    HG3  GLU   4          3HG       GLU   4 -15.725   0.065  -6.667
   26    H    GLU   5           HN       GLU   5 -10.814  -0.615  -4.850
   27    HA   GLU   5           HA       GLU   5  -9.732   1.729  -6.095
   28    HB2  GLU   5          2HB       GLU   5  -8.773   0.074  -3.757
   29    HB3  GLU   5          3HB       GLU   5  -8.024   1.578  -4.273
   30    HG2  GLU   5          2HG       GLU   5 -10.928   1.434  -3.551
   31    HG3  GLU   5          3HG       GLU   5  -9.674   1.668  -2.333
   32    H    LEU   6           HN       LEU   6  -8.863  -1.666  -5.923
   33    HA   LEU   6           HA       LEU   6  -6.249  -1.428  -6.972
   34    HB2  LEU   6          2HB       LEU   6  -8.203  -3.621  -6.570
   35    HB3  LEU   6          3HB       LEU   6  -6.893  -3.906  -7.714
   36    HG   LEU   6           HG       LEU   6  -6.453  -3.070  -4.851
   37   HD11  LEU   6          1HD1      LEU   6  -7.594  -5.223  -4.903
   38   HD12  LEU   6          2HD1      LEU   6  -5.912  -5.408  -4.406
   39   HD13  LEU   6          3HD1      LEU   6  -6.399  -5.838  -6.045
   40   HD21  LEU   6          1HD2      LEU   6  -4.346  -4.566  -6.091
   41   HD22  LEU   6          2HD2      LEU   6  -4.307  -2.942  -5.402
   42   HD23  LEU   6          3HD2      LEU   6  -4.760  -3.173  -7.090
   43    H    GLN   7           HN       GLN   7  -9.285  -2.450  -8.546
   44    HA   GLN   7           HA       GLN   7  -8.180  -2.473 -11.155
   45    HB2  GLN   7          2HB       GLN   7 -10.611  -3.217  -9.956
   46    HB3  GLN   7          3HB       GLN   7 -11.027  -2.014 -11.169
   47    HG2  GLN   7          2HG       GLN   7  -9.707  -3.353 -12.820
   48    HG3  GLN   7          3HG       GLN   7  -9.560  -4.604 -11.586
   49   HE21  GLN   7          1HE2      GLN   7 -12.057  -4.523 -10.453
   50   HE22  GLN   7          2HE2      GLN   7 -13.234  -5.031 -11.610
   51    H    ALA   8           HN       ALA   8  -8.728   0.074  -9.160
   52    HA   ALA   8           HA       ALA   8  -9.537   1.916 -11.293
   53    HB1  ALA   8          1HB       ALA   8  -9.275   2.372  -8.323
   54    HB2  ALA   8          2HB       ALA   8  -9.837   3.562  -9.499
   55    HB3  ALA   8          3HB       ALA   8 -10.775   2.096  -9.210
   56    H    MET   9           HN       MET   9  -6.803   0.593 -10.759
   57    HA   MET   9           HA       MET   9  -5.256   2.927 -11.445
   58    HB2  MET   9          2HB       MET   9  -3.657   2.779  -9.655
   59    HB3  MET   9          3HB       MET   9  -5.259   2.948  -8.952
   60    HG2  MET   9          2HG       MET   9  -5.050   1.051  -7.834
   61    HG3  MET   9          3HG       MET   9  -4.587   0.174  -9.291
   62    HE1  MET   9          1HE       MET   9  -1.132  -0.632  -8.991
   63    HE2  MET   9          2HE       MET   9  -2.647  -0.607  -9.893
   64    HE3  MET   9          3HE       MET   9  -1.475   0.694 -10.101
   65    H    ASP  10           HN       ASP  10  -6.039   0.278 -12.538
   66    HA   ASP  10           HA       ASP  10  -5.012  -1.089 -14.081
   67    HB2  ASP  10          2HB       ASP  10  -3.085   0.746 -13.816
   68    HB3  ASP  10          3HB       ASP  10  -2.271  -0.604 -13.031
   69    H    ASN  11           HN       ASN  11  -4.346  -1.066 -10.709
   70    HA   ASN  11           HA       ASN  11  -3.836  -2.695  -9.190
   71    HB2  ASN  11          2HB       ASN  11  -6.085  -3.391  -9.711
   72    HB3  ASN  11          3HB       ASN  11  -5.539  -4.236 -11.156
   73   HD21  ASN  11          1HD2      ASN  11  -4.776  -6.273 -10.995
   74   HD22  ASN  11          2HD2      ASN  11  -4.701  -7.165  -9.517
   75    H    VAL  12           HN       VAL  12  -2.031  -2.374 -11.580
   76    HA   VAL  12           HA       VAL  12  -0.811  -5.056 -11.573
   77    HB   VAL  12           HB       VAL  12  -0.855  -2.877 -13.621
   78   HG11  VAL  12          1HG1      VAL  12   1.514  -3.250 -13.246
   79   HG12  VAL  12          2HG1      VAL  12   1.286  -4.993 -13.405
   80   HG13  VAL  12          3HG1      VAL  12   1.027  -3.938 -14.794
   81   HG21  VAL  12          1HG2      VAL  12  -2.428  -4.555 -14.043
   82   HG22  VAL  12          2HG2      VAL  12  -1.067  -4.972 -15.085
   83   HG23  VAL  12          3HG2      VAL  12  -1.318  -5.843 -13.572
   84    H    CYS  13           HN       CYS  13   0.950  -5.286 -10.378
   85    HA   CYS  13           HA       CYS  13   2.220  -3.168  -9.034
   86    HB2  CYS  13          2HB       CYS  13   2.306  -5.387  -8.111
   87    HB3  CYS  13          3HB       CYS  13   3.103  -6.011  -9.551
   88    H    ILE  14           HN       ILE  14   3.458  -1.648  -9.893
   89    HA   ILE  14           HA       ILE  14   4.600  -1.796 -12.470
   90    HB   ILE  14           HB       ILE  14   4.006   0.293 -11.055
   91   HG12  ILE  14          2HG1      ILE  14   4.874   0.483 -13.294
   92   HG13  ILE  14          3HG1      ILE  14   5.739   1.628 -12.276
   93   HG21  ILE  14          1HG2      ILE  14   5.881   1.285  -9.856
   94   HG22  ILE  14          2HG2      ILE  14   5.432  -0.266  -9.148
   95   HG23  ILE  14          3HG2      ILE  14   6.858  -0.147 -10.177
   96   HD11  ILE  14          1HD1      ILE  14   6.706  -0.821 -13.627
   97   HD12  ILE  14          2HD1      ILE  14   7.486   0.747 -13.417
   98   HD13  ILE  14          3HD1      ILE  14   7.428  -0.396 -12.076
   99    H    ILE  15           HN       ILE  15   6.037  -2.060  -9.230
  100    HA   ILE  15           HA       ILE  15   8.676  -2.189  -9.661
  101    HB   ILE  15           HB       ILE  15   7.146  -4.224  -8.037
  102   HG12  ILE  15          2HG1      ILE  15   8.537  -1.867  -6.850
  103   HG13  ILE  15          3HG1      ILE  15   6.998  -1.594  -7.660
  104   HG21  ILE  15          1HG2      ILE  15   9.958  -3.917  -8.577
  105   HG22  ILE  15          2HG2      ILE  15   9.622  -3.710  -6.859
  106   HG23  ILE  15          3HG2      ILE  15   9.118  -5.185  -7.683
  107   HD11  ILE  15          1HD1      ILE  15   7.554  -3.316  -5.268
  108   HD12  ILE  15          2HD1      ILE  15   6.502  -1.905  -5.385
  109   HD13  ILE  15          3HD1      ILE  15   6.051  -3.410  -6.186
  110    H    CYS  16           HN       CYS  16   6.517  -4.980 -10.165
  111    HA   CYS  16           HA       CYS  16   8.617  -6.200 -11.828
  112    HB2  CYS  16          2HB       CYS  16   7.479  -8.346 -11.412
  113    HB3  CYS  16          3HB       CYS  16   7.972  -7.569  -9.911
  114    H    ARG  17           HN       ARG  17   5.898  -4.417 -12.122
  115    HA   ARG  17           HA       ARG  17   4.255  -4.159 -13.695
  116    HB2  ARG  17          2HB       ARG  17   6.693  -4.936 -15.275
  117    HB3  ARG  17          3HB       ARG  17   5.180  -4.536 -16.075
  118    HG2  ARG  17          2HG       ARG  17   5.424  -2.412 -14.437
  119    HG3  ARG  17          3HG       ARG  17   7.123  -2.797 -14.718
  120    HD2  ARG  17          2HD       ARG  17   5.064  -2.410 -16.886
  121    HD3  ARG  17          3HD       ARG  17   6.194  -1.170 -16.343
  122    HE   ARG  17           HE       ARG  17   7.577  -3.524 -17.098
  123   HH11  ARG  17          1HH1      ARG  17   5.895  -0.777 -18.419
  124   HH12  ARG  17          2HH1      ARG  17   6.783  -0.783 -19.906
  125   HH21  ARG  17          1HH2      ARG  17   8.753  -3.543 -19.053
  126   HH22  ARG  17          2HH2      ARG  17   8.408  -2.358 -20.266
  127    H    GLU  18           HN       GLU  18   3.380  -6.225 -12.548
  128    HA   GLU  18           HA       GLU  18   2.858  -8.216 -14.652
  129    HB2  GLU  18          2HB       GLU  18   3.490  -8.670 -11.746
  130    HB3  GLU  18          3HB       GLU  18   2.601  -9.861 -12.685
  131    HG2  GLU  18          2HG       GLU  18   5.382  -8.851 -13.231
  132    HG3  GLU  18          3HG       GLU  18   4.932 -10.443 -12.624
  133    H    GLU  19           HN       GLU  19   1.524  -8.456 -11.456
  134    HA   GLU  19           HA       GLU  19  -0.881  -7.008 -11.996
  135    HB2  GLU  19          2HB       GLU  19  -0.804  -9.528 -13.121
  136    HB3  GLU  19          3HB       GLU  19  -1.630  -9.805 -11.595
  137    HG2  GLU  19          2HG       GLU  19  -3.155  -7.893 -12.218
  138    HG3  GLU  19          3HG       GLU  19  -2.435  -7.965 -13.825
  139    H    MET  20           HN       MET  20  -2.310  -6.951 -10.197
  140    HA   MET  20           HA       MET  20  -1.243  -8.163  -7.737
  141    HB2  MET  20          2HB       MET  20  -2.199  -5.327  -8.136
  142    HB3  MET  20          3HB       MET  20  -1.966  -6.056  -6.553
  143    HG2  MET  20          2HG       MET  20   0.391  -6.385  -7.027
  144    HG3  MET  20          3HG       MET  20   0.172  -5.713  -8.641
  145    HE1  MET  20          1HE       MET  20  -1.379  -3.622  -8.768
  146    HE2  MET  20          2HE       MET  20  -1.188  -2.197  -7.746
  147    HE3  MET  20          3HE       MET  20   0.075  -2.631  -8.899
  148    H    VAL  21           HN       VAL  21  -3.107  -9.576  -8.868
  149    HA   VAL  21           HA       VAL  21  -5.732  -9.161  -8.882
  150    HB   VAL  21           HB       VAL  21  -5.840 -11.462  -7.487
  151   HG11  VAL  21          1HG1      VAL  21  -6.631 -11.518  -9.653
  152   HG12  VAL  21          2HG1      VAL  21  -5.134 -10.879 -10.330
  153   HG13  VAL  21          3HG1      VAL  21  -5.205 -12.549  -9.769
  154   HG21  VAL  21          1HG2      VAL  21  -3.409 -11.242  -6.924
  155   HG22  VAL  21          2HG2      VAL  21  -3.845 -12.749  -7.729
  156   HG23  VAL  21          3HG2      VAL  21  -3.055 -11.461  -8.638
  157    H    THR  22           HN       THR  22  -3.795  -9.347  -5.946
  158    HA   THR  22           HA       THR  22  -5.480  -7.691  -4.450
  159    HB   THR  22           HB       THR  22  -6.963  -9.749  -4.608
  160    HG1  THR  22          1HG       THR  22  -7.599  -8.524  -2.967
  161   HG21  THR  22          1HG2      THR  22  -5.512 -11.022  -2.395
  162   HG22  THR  22          2HG2      THR  22  -4.699 -11.124  -3.958
  163   HG23  THR  22          3HG2      THR  22  -6.340 -11.745  -3.774
  164    H    GLY  23           HN       GLY  23  -3.057 -10.197  -4.557
  165    HA2  GLY  23          1HA       GLY  23  -2.066  -9.816  -1.908
  166    HA3  GLY  23          2HA       GLY  23  -1.239 -10.648  -3.216
  167    H    ALA  24           HN       ALA  24  -2.186  -7.330  -2.315
  168    HA   ALA  24           HA       ALA  24   0.559  -6.454  -2.643
  169    HB1  ALA  24          1HB       ALA  24  -0.445  -6.333  -4.924
  170    HB2  ALA  24          2HB       ALA  24  -1.596  -5.152  -4.297
  171    HB3  ALA  24          3HB       ALA  24   0.130  -4.787  -4.299
  172    H    LYS  25           HN       LYS  25   0.856  -4.189  -1.962
  173    HA   LYS  25           HA       LYS  25  -1.138  -3.452   0.074
  174    HB2  LYS  25          2HB       LYS  25   1.821  -2.841  -0.052
  175    HB3  LYS  25          3HB       LYS  25   0.729  -2.269   1.203
  176    HG2  LYS  25          2HG       LYS  25   1.402  -5.144   0.613
  177    HG3  LYS  25          3HG       LYS  25   2.000  -4.185   1.968
  178    HD2  LYS  25          2HD       LYS  25  -0.823  -3.987   1.975
  179    HD3  LYS  25          3HD       LYS  25  -0.416  -5.693   1.764
  180    HE2  LYS  25          2HE       LYS  25   1.310  -5.113   3.702
  181    HE3  LYS  25          3HE       LYS  25   0.107  -3.874   4.053
  182    HZ1  LYS  25          1HZ       LYS  25  -1.446  -5.411   4.634
  183    HZ2  LYS  25          2HZ       LYS  25  -0.056  -6.265   5.082
  184    HZ3  LYS  25          3HZ       LYS  25  -0.827  -6.613   3.616
  185    H    ARG  26           HN       ARG  26  -1.225  -1.076   0.565
  186    HA   ARG  26           HA       ARG  26  -1.116   0.450  -1.951
  187    HB2  ARG  26          2HB       ARG  26  -3.391   0.086  -1.072
  188    HB3  ARG  26          3HB       ARG  26  -2.926   0.862   0.435
  189    HG2  ARG  26          2HG       ARG  26  -2.757   2.969  -0.568
  190    HG3  ARG  26          3HG       ARG  26  -2.720   2.286  -2.194
  191    HD2  ARG  26          2HD       ARG  26  -4.882   3.285  -1.768
  192    HD3  ARG  26          3HD       ARG  26  -5.046   1.535  -1.907
  193    HE   ARG  26           HE       ARG  26  -5.792   1.486   0.249
  194   HH11  ARG  26          1HH1      ARG  26  -4.107   4.486  -0.283
  195   HH12  ARG  26          2HH1      ARG  26  -4.521   5.143   1.266
  196   HH21  ARG  26          1HH2      ARG  26  -6.341   2.340   2.291
  197   HH22  ARG  26          2HH2      ARG  26  -5.791   3.921   2.730
  198    H    LEU  27           HN       LEU  27  -0.299   2.535  -1.952
  199    HA   LEU  27           HA       LEU  27   1.373   3.193   0.366
  200    HB2  LEU  27          2HB       LEU  27   1.478   4.060  -2.513
  201    HB3  LEU  27          3HB       LEU  27   2.488   4.766  -1.253
  202    HG   LEU  27           HG       LEU  27   2.531   1.885  -2.154
  203   HD11  LEU  27          1HD1      LEU  27   3.474   3.564  -3.747
  204   HD12  LEU  27          2HD1      LEU  27   4.638   2.382  -3.149
  205   HD13  LEU  27          3HD1      LEU  27   4.629   4.019  -2.493
  206   HD21  LEU  27          1HD2      LEU  27   3.225   1.658   0.001
  207   HD22  LEU  27          2HD2      LEU  27   3.771   3.331   0.121
  208   HD23  LEU  27          3HD2      LEU  27   4.756   2.140  -0.731
  209    HA   PRO  28           HA       PRO  28  -1.011   6.713   1.465
  210    HB2  PRO  28          2HB       PRO  28   0.922   8.396   2.360
  211    HB3  PRO  28          3HB       PRO  28   0.405   6.963   3.257
  212    HG2  PRO  28          2HG       PRO  28   2.791   7.331   1.488
  213    HG3  PRO  28          3HG       PRO  28   2.679   6.519   3.060
  214    HD2  PRO  28          2HD       PRO  28   2.708   5.161   0.718
  215    HD3  PRO  28          3HD       PRO  28   1.817   4.588   2.142
  216    H    CYS  29           HN       CYS  29   0.890   6.655  -1.219
  217    HA   CYS  29           HA       CYS  29   0.362   9.474  -1.886
  218    HB2  CYS  29          2HB       CYS  29   2.060   9.014  -3.752
  219    HB3  CYS  29          3HB       CYS  29   2.680   9.123  -2.107
  220    H    ASN  30           HN       ASN  30  -1.037   6.592  -2.224
  221    HA   ASN  30           HA       ASN  30  -2.830   5.994  -3.537
  222    HB2  ASN  30          2HB       ASN  30  -2.794   8.565  -4.130
  223    HB3  ASN  30          3HB       ASN  30  -2.133   7.987  -5.657
  224   HD21  ASN  30          1HD2      ASN  30  -3.974   8.718  -6.747
  225   HD22  ASN  30          2HD2      ASN  30  -5.472   7.861  -6.670
  226    H    HIS  31           HN       HIS  31  -0.559   4.574  -3.596
  227    HA   HIS  31           HA       HIS  31  -0.521   3.586  -6.333
  228    HB2  HIS  31          2HB       HIS  31   2.006   4.356  -4.859
  229    HB3  HIS  31          3HB       HIS  31   1.949   3.484  -6.388
  230    HD2  HIS  31          2HD       HIS  31  -0.130   5.388  -8.020
  231    HE1  HIS  31          1HE       HIS  31   2.569   8.511  -7.041
  232    HE2  HIS  31          2HE       HIS  31   0.626   7.818  -8.485
  233    H    ILE  32           HN       ILE  32  -0.989   1.504  -6.160
  234    HA   ILE  32           HA       ILE  32  -0.277   0.056  -3.725
  235    HB   ILE  32           HB       ILE  32  -2.130  -0.579  -6.009
  236   HG12  ILE  32          2HG1      ILE  32  -3.057  -0.833  -3.243
  237   HG13  ILE  32          3HG1      ILE  32  -2.505   0.789  -3.643
  238   HG21  ILE  32          1HG2      ILE  32  -0.705  -2.427  -4.311
  239   HG22  ILE  32          2HG2      ILE  32  -2.448  -2.565  -4.087
  240   HG23  ILE  32          3HG2      ILE  32  -1.749  -2.747  -5.696
  241   HD11  ILE  32          1HD1      ILE  32  -4.969  -0.466  -4.278
  242   HD12  ILE  32          2HD1      ILE  32  -4.445   1.184  -4.617
  243   HD13  ILE  32          3HD1      ILE  32  -4.119  -0.102  -5.779
  244    H    PHE  33           HN       PHE  33   1.170  -1.573  -3.639
  245    HA   PHE  33           HA       PHE  33   2.208  -2.741  -6.094
  246    HB2  PHE  33          2HB       PHE  33   4.016  -1.375  -4.088
  247    HB3  PHE  33          3HB       PHE  33   4.546  -2.294  -5.491
  248    HD1  PHE  33          1HD       PHE  33   3.549  -1.459  -7.785
  249    HD2  PHE  33          2HD       PHE  33   3.871   0.907  -4.262
  250    HE1  PHE  33          1HE       PHE  33   3.466   0.584  -9.154
  251    HE2  PHE  33          2HE       PHE  33   3.788   2.955  -5.625
  252    HZ   PHE  33           HZ       PHE  33   3.585   2.795  -8.074
  253    H    HIS  34           HN       HIS  34   3.209  -4.748  -5.802
  254    HA   HIS  34           HA       HIS  34   2.215  -6.466  -3.946
  255    HB2  HIS  34          2HB       HIS  34   4.845  -6.512  -5.415
  256    HB3  HIS  34          3HB       HIS  34   4.355  -7.834  -4.359
  257    HD2  HIS  34          2HD       HIS  34   1.162  -7.859  -5.412
  258    HE1  HIS  34          1HE       HIS  34   2.981  -8.812  -9.125
  259    HE2  HIS  34          2HE       HIS  34   0.827  -8.741  -7.821
  260    H    THR  35           HN       THR  35   2.728  -7.191  -1.921
  261    HA   THR  35           HA       THR  35   4.077  -5.386  -0.190
  262    HB   THR  35           HB       THR  35   3.610  -8.146   0.774
  263    HG1  THR  35          1HG       THR  35   1.755  -8.126  -0.336
  264   HG21  THR  35          1HG2      THR  35   3.832  -6.925   2.639
  265   HG22  THR  35          2HG2      THR  35   2.196  -6.346   2.319
  266   HG23  THR  35          3HG2      THR  35   3.585  -5.410   1.770
  267    H    SER  36           HN       SER  36   5.066  -8.164  -1.988
  268    HA   SER  36           HA       SER  36   7.473  -8.570  -0.415
  269    HB2  SER  36          2HB       SER  36   7.955 -10.350  -2.101
  270    HB3  SER  36          3HB       SER  36   6.396 -10.552  -1.301
  271    HG   SER  36           HG       SER  36   6.969  -9.812  -3.939
  272    H    CYS  37           HN       CYS  37   6.476  -7.045  -3.387
  273    HA   CYS  37           HA       CYS  37   9.119  -6.704  -4.436
  274    HB2  CYS  37          2HB       CYS  37   6.483  -5.403  -5.139
  275    HB3  CYS  37          3HB       CYS  37   7.981  -5.118  -6.018
  276    H    LEU  38           HN       LEU  38   6.847  -4.687  -2.629
  277    HA   LEU  38           HA       LEU  38   8.350  -2.306  -2.715
  278    HB2  LEU  38          2HB       LEU  38   6.229  -3.354  -0.876
  279    HB3  LEU  38          3HB       LEU  38   7.023  -1.813  -0.560
  280    HG   LEU  38           HG       LEU  38   5.433  -2.494  -3.033
  281   HD11  LEU  38          1HD1      LEU  38   3.784  -0.937  -2.145
  282   HD12  LEU  38          2HD1      LEU  38   4.755  -0.722  -0.689
  283   HD13  LEU  38          3HD1      LEU  38   4.032  -2.292  -1.044
  284   HD21  LEU  38          1HD2      LEU  38   6.999  -0.913  -3.720
  285   HD22  LEU  38          2HD2      LEU  38   6.971  -0.069  -2.171
  286   HD23  LEU  38          3HD2      LEU  38   5.599   0.062  -3.272
  287    H    ARG  39           HN       ARG  39   7.940  -4.538   0.042
  288    HA   ARG  39           HA       ARG  39   9.837  -3.500   1.725
  289    HB2  ARG  39          2HB       ARG  39   9.088  -6.395   1.293
  290    HB3  ARG  39          3HB       ARG  39  10.060  -5.826   2.642
  291    HG2  ARG  39          2HG       ARG  39   8.020  -4.222   3.026
  292    HG3  ARG  39          3HG       ARG  39   7.159  -5.458   2.105
  293    HD2  ARG  39          2HD       ARG  39   6.928  -6.534   4.047
  294    HD3  ARG  39          3HD       ARG  39   8.640  -6.928   3.900
  295    HE   ARG  39           HE       ARG  39   9.017  -5.586   5.695
  296   HH11  ARG  39          1HH1      ARG  39   6.072  -4.549   4.154
  297   HH12  ARG  39          2HH1      ARG  39   5.729  -3.328   5.335
  298   HH21  ARG  39          1HH2      ARG  39   8.576  -3.983   7.257
  299   HH22  ARG  39          2HH2      ARG  39   7.155  -3.007   7.099
  300    H    SER  40           HN       SER  40  10.326  -5.315  -1.188
  301    HA   SER  40           HA       SER  40  13.160  -5.715  -0.609
  302    HB2  SER  40          2HB       SER  40  12.014  -7.602  -1.609
  303    HB3  SER  40          3HB       SER  40  11.443  -6.597  -2.941
  304    HG   SER  40           HG       SER  40  13.213  -7.216  -3.885
  305    H    TRP  41           HN       TRP  41  11.079  -3.563  -2.269
  306    HA   TRP  41           HA       TRP  41  13.084  -2.599  -4.115
  307    HB2  TRP  41          2HB       TRP  41  10.737  -2.562  -4.781
  308    HB3  TRP  41          3HB       TRP  41  10.342  -1.527  -3.412
  309    HD1  TRP  41          1HD       TRP  41  11.124   1.050  -3.559
  310    HE1  TRP  41          1HE       TRP  41  11.685   2.542  -5.579
  311    HE3  TRP  41          3HE       TRP  41  11.764  -2.585  -7.095
  312    HZ2  TRP  41          2HZ       TRP  41  12.315   2.220  -8.312
  313    HZ3  TRP  41          3HZ       TRP  41  12.343  -1.909  -9.389
  314    HH2  TRP  41          2HH       TRP  41  12.612   0.444  -9.983
  315    H    PHE  42           HN       PHE  42  11.462  -1.382  -1.196
  316    HA   PHE  42           HA       PHE  42  12.876   1.065  -1.093
  317    HB2  PHE  42          2HB       PHE  42  11.511  -0.475   1.125
  318    HB3  PHE  42          3HB       PHE  42  12.047   1.199   1.234
  319    HD1  PHE  42          1HD       PHE  42   9.217  -0.516   1.145
  320    HD2  PHE  42          2HD       PHE  42  11.212   2.397  -1.231
  321    HE1  PHE  42          1HE       PHE  42   7.051   0.230   0.246
  322    HE2  PHE  42          2HE       PHE  42   9.050   3.149  -2.133
  323    HZ   PHE  42           HZ       PHE  42   6.966   2.066  -1.394
  324    H    GLN  43           HN       GLN  43  13.759  -2.140  -0.318
  325    HA   GLN  43           HA       GLN  43  15.664  -1.648   1.712
  326    HB2  GLN  43          2HB       GLN  43  15.189  -3.890  -0.220
  327    HB3  GLN  43          3HB       GLN  43  16.641  -3.877   0.771
  328    HG2  GLN  43          2HG       GLN  43  14.150  -3.398   2.239
  329    HG3  GLN  43          3HG       GLN  43  14.281  -4.989   1.492
  330   HE21  GLN  43          1HE2      GLN  43  14.305  -5.808   3.663
  331   HE22  GLN  43          2HE2      GLN  43  15.776  -5.807   4.569
  332    H    ARG  44           HN       ARG  44  15.643  -0.762  -1.512
  333    HA   ARG  44           HA       ARG  44  18.535  -0.263  -1.437
  334    HB2  ARG  44          2HB       ARG  44  17.071  -1.166  -3.920
  335    HB3  ARG  44          3HB       ARG  44  18.800  -0.896  -3.744
  336    HG2  ARG  44          2HG       ARG  44  18.833  -2.757  -2.072
  337    HG3  ARG  44          3HG       ARG  44  17.155  -3.086  -2.506
  338    HD2  ARG  44          2HD       ARG  44  17.722  -4.055  -4.451
  339    HD3  ARG  44          3HD       ARG  44  18.967  -2.854  -4.794
  340    HE   ARG  44           HE       ARG  44  19.960  -4.425  -2.754
  341   HH11  ARG  44          1HH1      ARG  44  18.889  -4.890  -6.034
  342   HH12  ARG  44          2HH1      ARG  44  19.950  -6.228  -6.328
  343   HH21  ARG  44          1HH2      ARG  44  21.361  -6.185  -3.129
  344   HH22  ARG  44          2HH2      ARG  44  21.355  -6.964  -4.675
  345    H    GLN  45           HN       GLN  45  15.361   0.596  -2.657
  346    HA   GLN  45           HA       GLN  45  16.360   3.319  -3.148
  347    HB2  GLN  45          2HB       GLN  45  14.708   1.577  -4.928
  348    HB3  GLN  45          3HB       GLN  45  14.446   3.315  -4.954
  349    HG2  GLN  45          2HG       GLN  45  15.968   2.781  -6.694
  350    HG3  GLN  45          3HG       GLN  45  16.872   3.605  -5.425
  351   HE21  GLN  45          1HE2      GLN  45  18.791   2.763  -5.115
  352   HE22  GLN  45          2HE2      GLN  45  19.210   1.093  -5.241
  353    H    GLN  46           HN       GLN  46  15.525   4.406  -1.468
  354    HA   GLN  46           HA       GLN  46  12.938   3.795  -0.376
  355    HB2  GLN  46          2HB       GLN  46  15.119   4.825   0.746
  356    HB3  GLN  46          3HB       GLN  46  14.341   6.336   0.293
  357    HG2  GLN  46          2HG       GLN  46  12.878   6.192   1.954
  358    HG3  GLN  46          3HG       GLN  46  12.496   4.512   1.577
  359   HE21  GLN  46          1HE2      GLN  46  15.314   6.297   2.800
  360   HE22  GLN  46          2HE2      GLN  46  15.615   5.243   4.134
  361    H    THR  47           HN       THR  47  12.573   4.341  -3.019
  362    HA   THR  47           HA       THR  47  10.940   6.759  -2.885
  363    HB   THR  47           HB       THR  47  11.863   6.926  -5.464
  364    HG1  THR  47          1HG       THR  47  14.248   6.748  -4.013
  365   HG21  THR  47          1HG2      THR  47  12.799   8.979  -4.817
  366   HG22  THR  47          2HG2      THR  47  13.205   8.387  -3.206
  367   HG23  THR  47          3HG2      THR  47  11.523   8.692  -3.636
  368    H    CYS  48           HN       CYS  48   8.965   6.364  -3.635
  369    HA   CYS  48           HA       CYS  48   7.871   4.043  -4.359
  370    HB2  CYS  48          2HB       CYS  48   6.950   6.582  -4.338
  371    HB3  CYS  48          3HB       CYS  48   6.951   6.278  -6.072
  372    HA   PRO  49           HA       PRO  49   9.754   2.684  -8.114
  373    HB2  PRO  49          2HB       PRO  49   7.938   0.777  -8.772
  374    HB3  PRO  49          3HB       PRO  49   9.121   0.570  -7.476
  375    HG2  PRO  49          2HG       PRO  49   6.235   1.345  -7.300
  376    HG3  PRO  49          3HG       PRO  49   7.153   0.214  -6.289
  377    HD2  PRO  49          2HD       PRO  49   6.594   2.743  -5.504
  378    HD3  PRO  49          3HD       PRO  49   8.080   1.901  -5.023
  379    H    THR  50           HN       THR  50   7.065   4.564  -7.906
  380    HA   THR  50           HA       THR  50   6.787   4.670 -10.835
  381    HB   THR  50           HB       THR  50   4.800   3.560  -9.839
  382    HG1  THR  50          1HG       THR  50   3.285   5.242 -10.756
  383   HG21  THR  50          1HG2      THR  50   4.224   6.231  -8.563
  384   HG22  THR  50          2HG2      THR  50   4.890   4.854  -7.685
  385   HG23  THR  50          3HG2      THR  50   3.290   4.742  -8.417
  386    H    CYS  51           HN       CYS  51   6.070   6.412  -7.810
  387    HA   CYS  51           HA       CYS  51   6.487   8.945  -9.238
  388    HB2  CYS  51          2HB       CYS  51   5.246  10.020  -7.503
  389    HB3  CYS  51          3HB       CYS  51   4.347   8.575  -7.954
  390    H    ARG  52           HN       ARG  52   8.182   6.796  -7.419
  391    HA   ARG  52           HA       ARG  52   9.908   6.951  -5.883
  392    HB2  ARG  52          2HB       ARG  52  10.537   8.587  -8.293
  393    HB3  ARG  52          3HB       ARG  52  11.661   8.648  -6.941
  394    HG2  ARG  52          2HG       ARG  52  12.598   6.903  -8.001
  395    HG3  ARG  52          3HG       ARG  52  11.348   5.989  -7.154
  396    HD2  ARG  52          2HD       ARG  52  10.019   5.810  -9.052
  397    HD3  ARG  52          3HD       ARG  52  10.802   7.176  -9.847
  398    HE   ARG  52           HE       ARG  52  12.800   5.379  -9.657
  399   HH11  ARG  52          1HH1      ARG  52   9.531   5.161 -10.837
  400   HH12  ARG  52          2HH1      ARG  52   9.897   3.936 -12.006
  401   HH21  ARG  52          1HH2      ARG  52  13.293   3.766 -11.192
  402   HH22  ARG  52          2HH2      ARG  52  12.037   3.142 -12.207
  403    H    MET  53           HN       MET  53   7.781   8.550  -4.996
  404    HA   MET  53           HA       MET  53   8.983  11.072  -4.147
  405    HB2  MET  53          2HB       MET  53   6.704  11.205  -4.943
  406    HB3  MET  53          3HB       MET  53   6.195   9.956  -3.814
  407    HG2  MET  53          2HG       MET  53   6.410  11.373  -1.969
  408    HG3  MET  53          3HG       MET  53   7.379  12.538  -2.868
  409    HE1  MET  53          1HE       MET  53   4.239  10.666  -2.602
  410    HE2  MET  53          2HE       MET  53   3.296  11.997  -1.933
  411    HE3  MET  53          3HE       MET  53   3.065  11.509  -3.612
  412    H    ASP  54           HN       ASP  54   9.298   8.060  -3.140
  413    HA   ASP  54           HA       ASP  54   9.929   7.074  -1.190
  414    HB2  ASP  54          2HB       ASP  54  11.289   9.198  -1.011
  415    HB3  ASP  54          3HB       ASP  54  10.002   9.850  -0.002
  416    H    VAL  55           HN       VAL  55   8.973   6.192   0.620
  417    HA   VAL  55           HA       VAL  55   6.483   7.435   1.567
  418    HB   VAL  55           HB       VAL  55   5.603   5.003   1.745
  419   HG11  VAL  55          1HG1      VAL  55   4.538   5.187  -0.400
  420   HG12  VAL  55          2HG1      VAL  55   4.710   6.805   0.282
  421   HG13  VAL  55          3HG1      VAL  55   5.807   6.261  -0.987
  422   HG21  VAL  55          1HG2      VAL  55   6.432   3.619  -0.208
  423   HG22  VAL  55          2HG2      VAL  55   7.813   4.714  -0.278
  424   HG23  VAL  55          3HG2      VAL  55   7.524   3.750   1.171
  425    H    LEU  56           HN       LEU  56   8.949   4.948   2.129
  426    HA   LEU  56           HA       LEU  56   8.297   4.379   4.796
  427    HB2  LEU  56          2HB       LEU  56  10.129   3.462   2.984
  428    HB3  LEU  56          3HB       LEU  56  11.151   4.284   4.160
  429    HG   LEU  56           HG       LEU  56   9.123   2.314   5.117
  430   HD11  LEU  56          1HD1      LEU  56  10.649   0.483   4.810
  431   HD12  LEU  56          2HD1      LEU  56  11.844   1.549   4.074
  432   HD13  LEU  56          3HD1      LEU  56  10.323   1.226   3.245
  433   HD21  LEU  56          1HD2      LEU  56  11.888   2.541   6.161
  434   HD22  LEU  56          2HD2      LEU  56  10.368   2.280   7.017
  435   HD23  LEU  56          3HD2      LEU  56  10.796   3.895   6.452
  Start of MODEL   20
    1    H1   ALA   1           HN       ALA   1  -4.274  -4.338  -0.028
    2    HA   ALA   1           HA       ALA   1  -5.982  -2.563  -0.649
    3    HB1  ALA   1          1HB       ALA   1  -4.863  -4.216  -2.910
    4    HB2  ALA   1          2HB       ALA   1  -5.424  -2.547  -3.015
    5    HB3  ALA   1          3HB       ALA   1  -4.004  -2.939  -2.047
    6    H    THR   2           HN       THR   2  -7.919  -2.142  -1.712
    7    HA   THR   2           HA       THR   2  -9.780  -4.358  -1.744
    8    HB   THR   2           HB       THR   2 -11.373  -2.828  -1.375
    9    HG1  THR   2          1HG       THR   2 -11.883  -1.395  -2.894
   10   HG21  THR   2          1HG2      THR   2  -9.357  -1.936  -0.090
   11   HG22  THR   2          2HG2      THR   2 -10.689  -0.813  -0.360
   12   HG23  THR   2          3HG2      THR   2  -9.235  -0.712  -1.353
   13    HA   PRO   3           HA       PRO   3  -9.981  -5.099  -6.065
   14    HB2  PRO   3          2HB       PRO   3 -12.643  -5.436  -6.483
   15    HB3  PRO   3          3HB       PRO   3 -11.645  -6.623  -5.634
   16    HG2  PRO   3          2HG       PRO   3 -13.459  -4.523  -4.511
   17    HG3  PRO   3          3HG       PRO   3 -13.257  -6.212  -4.009
   18    HD2  PRO   3          2HD       PRO   3 -12.101  -4.151  -2.688
   19    HD3  PRO   3          3HD       PRO   3 -11.350  -5.755  -2.799
   20    H    GLU   4           HN       GLU   4 -11.972  -2.517  -4.781
   21    HA   GLU   4           HA       GLU   4 -12.562  -1.388  -7.366
   22    HB2  GLU   4          2HB       GLU   4 -13.650  -1.144  -4.821
   23    HB3  GLU   4          3HB       GLU   4 -12.889   0.415  -5.103
   24    HG2  GLU   4          2HG       GLU   4 -14.778   0.961  -6.139
   25    HG3  GLU   4          3HG       GLU   4 -14.186  -0.034  -7.468
   26    H    GLU   5           HN       GLU   5 -10.462  -0.554  -4.626
   27    HA   GLU   5           HA       GLU   5  -9.356   1.756  -5.859
   28    HB2  GLU   5          2HB       GLU   5  -8.189   0.073  -3.636
   29    HB3  GLU   5          3HB       GLU   5  -7.733   1.721  -4.044
   30    HG2  GLU   5          2HG       GLU   5 -10.563   1.120  -3.338
   31    HG3  GLU   5          3HG       GLU   5  -9.354   1.245  -2.062
   32    H    LEU   6           HN       LEU   6  -8.580  -1.639  -5.917
   33    HA   LEU   6           HA       LEU   6  -5.942  -1.354  -6.965
   34    HB2  LEU   6          2HB       LEU   6  -7.848  -3.563  -6.494
   35    HB3  LEU   6          3HB       LEU   6  -6.628  -3.832  -7.737
   36    HG   LEU   6           HG       LEU   6  -5.925  -2.996  -4.934
   37   HD11  LEU   6          1HD1      LEU   6  -6.219  -5.776  -6.058
   38   HD12  LEU   6          2HD1      LEU   6  -7.125  -5.063  -4.723
   39   HD13  LEU   6          3HD1      LEU   6  -5.401  -5.387  -4.545
   40   HD21  LEU   6          1HD2      LEU   6  -4.321  -2.746  -6.913
   41   HD22  LEU   6          2HD2      LEU   6  -4.253  -4.509  -6.916
   42   HD23  LEU   6          3HD2      LEU   6  -3.737  -3.608  -5.490
   43    H    GLN   7           HN       GLN   7  -8.927  -2.569  -8.505
   44    HA   GLN   7           HA       GLN   7  -7.895  -2.435 -11.129
   45    HB2  GLN   7          2HB       GLN   7 -10.220  -3.394  -9.912
   46    HB3  GLN   7          3HB       GLN   7 -10.777  -2.158 -11.032
   47    HG2  GLN   7          2HG       GLN   7  -9.084  -4.554 -11.700
   48    HG3  GLN   7          3HG       GLN   7 -10.784  -4.316 -12.102
   49   HE21  GLN   7          1HE2      GLN   7  -7.875  -4.372 -13.432
   50   HE22  GLN   7          2HE2      GLN   7  -8.065  -3.207 -14.694
   51    H    ALA   8           HN       ALA   8  -8.760   0.013  -9.039
   52    HA   ALA   8           HA       ALA   8  -9.677   1.841 -11.120
   53    HB1  ALA   8          1HB       ALA   8  -9.852   3.452  -9.170
   54    HB2  ALA   8          2HB       ALA   8 -10.920   2.047  -9.128
   55    HB3  ALA   8          3HB       ALA   8  -9.465   2.080  -8.132
   56    H    MET   9           HN       MET   9  -6.838   0.708 -10.692
   57    HA   MET   9           HA       MET   9  -5.483   3.146 -11.406
   58    HB2  MET   9          2HB       MET   9  -3.849   3.150  -9.651
   59    HB3  MET   9          3HB       MET   9  -5.442   3.171  -8.907
   60    HG2  MET   9          2HG       MET   9  -5.018   1.311  -7.790
   61    HG3  MET   9          3HG       MET   9  -4.539   0.469  -9.260
   62    HE1  MET   9          1HE       MET   9  -1.093  -0.214  -8.940
   63    HE2  MET   9          2HE       MET   9  -2.623  -0.284  -9.815
   64    HE3  MET   9          3HE       MET   9  -1.479   1.017 -10.144
   65    H    ASP  10           HN       ASP  10  -6.072   0.540 -12.577
   66    HA   ASP  10           HA       ASP  10  -4.954  -0.740 -14.132
   67    HB2  ASP  10          2HB       ASP  10  -3.123   1.161 -13.802
   68    HB3  ASP  10          3HB       ASP  10  -2.268  -0.143 -12.983
   69    H    ASN  11           HN       ASN  11  -4.457  -0.818 -10.750
   70    HA   ASN  11           HA       ASN  11  -3.795  -2.464  -9.287
   71    HB2  ASN  11          2HB       ASN  11  -5.349  -4.163  -9.238
   72    HB3  ASN  11          3HB       ASN  11  -6.156  -3.043 -10.332
   73   HD21  ASN  11          1HD2      ASN  11  -4.869  -6.147  -9.929
   74   HD22  ASN  11          2HD2      ASN  11  -5.086  -6.711 -11.547
   75    H    VAL  12           HN       VAL  12  -1.898  -2.055 -11.408
   76    HA   VAL  12           HA       VAL  12  -0.800  -4.781 -11.646
   77    HB   VAL  12           HB       VAL  12  -0.829  -2.525 -13.606
   78   HG11  VAL  12          1HG1      VAL  12   0.999  -3.740 -14.851
   79   HG12  VAL  12          2HG1      VAL  12   1.509  -2.851 -13.415
   80   HG13  VAL  12          3HG1      VAL  12   1.330  -4.604 -13.350
   81   HG21  VAL  12          1HG2      VAL  12  -0.854  -4.935 -14.936
   82   HG22  VAL  12          2HG2      VAL  12  -1.733  -5.289 -13.448
   83   HG23  VAL  12          3HG2      VAL  12  -2.272  -3.980 -14.500
   84    H    CYS  13           HN       CYS  13   1.010  -5.106 -10.547
   85    HA   CYS  13           HA       CYS  13   2.329  -3.065  -9.114
   86    HB2  CYS  13          2HB       CYS  13   2.358  -5.352  -8.316
   87    HB3  CYS  13          3HB       CYS  13   3.194  -5.887  -9.770
   88    H    ILE  14           HN       ILE  14   3.597  -1.541  -9.924
   89    HA   ILE  14           HA       ILE  14   4.688  -1.603 -12.525
   90    HB   ILE  14           HB       ILE  14   4.180   0.426 -10.963
   91   HG12  ILE  14          2HG1      ILE  14   4.891   0.751 -13.227
   92   HG13  ILE  14          3HG1      ILE  14   5.901   1.779 -12.215
   93   HG21  ILE  14          1HG2      ILE  14   6.168   1.330  -9.858
   94   HG22  ILE  14          2HG2      ILE  14   5.697  -0.225  -9.173
   95   HG23  ILE  14          3HG2      ILE  14   7.065  -0.129 -10.282
   96   HD11  ILE  14          1HD1      ILE  14   6.625  -0.767 -13.611
   97   HD12  ILE  14          2HD1      ILE  14   7.372   0.825 -13.746
   98   HD13  ILE  14          3HD1      ILE  14   7.591  -0.131 -12.281
   99    H    ILE  15           HN       ILE  15   6.170  -2.057  -9.330
  100    HA   ILE  15           HA       ILE  15   8.796  -2.223  -9.790
  101    HB   ILE  15           HB       ILE  15   7.229  -4.326  -8.293
  102   HG12  ILE  15          2HG1      ILE  15   8.700  -2.081  -6.983
  103   HG13  ILE  15          3HG1      ILE  15   7.142  -1.737  -7.728
  104   HG21  ILE  15          1HG2      ILE  15   9.201  -5.367  -8.158
  105   HG22  ILE  15          2HG2      ILE  15  10.081  -3.966  -8.771
  106   HG23  ILE  15          3HG2      ILE  15   9.667  -4.068  -7.060
  107   HD11  ILE  15          1HD1      ILE  15   7.713  -3.688  -5.515
  108   HD12  ILE  15          2HD1      ILE  15   6.788  -2.191  -5.420
  109   HD13  ILE  15          3HD1      ILE  15   6.163  -3.557  -6.343
  110    H    CYS  16           HN       CYS  16   6.585  -4.939 -10.455
  111    HA   CYS  16           HA       CYS  16   8.645  -6.074 -12.226
  112    HB2  CYS  16          2HB       CYS  16   7.409  -8.222 -11.953
  113    HB3  CYS  16          3HB       CYS  16   8.060  -7.595 -10.442
  114    H    ARG  17           HN       ARG  17   5.866  -4.306 -12.308
  115    HA   ARG  17           HA       ARG  17   4.239  -3.892 -13.855
  116    HB2  ARG  17          2HB       ARG  17   6.633  -4.623 -15.518
  117    HB3  ARG  17          3HB       ARG  17   5.110  -4.175 -16.275
  118    HG2  ARG  17          2HG       ARG  17   5.399  -2.130 -14.547
  119    HG3  ARG  17          3HG       ARG  17   7.090  -2.514 -14.872
  120    HD2  ARG  17          2HD       ARG  17   5.025  -2.069 -17.019
  121    HD3  ARG  17          3HD       ARG  17   6.078  -0.801 -16.397
  122    HE   ARG  17           HE       ARG  17   7.472  -3.140 -17.338
  123   HH11  ARG  17          1HH1      ARG  17   6.128  -0.045 -18.197
  124   HH12  ARG  17          2HH1      ARG  17   7.146   0.159 -19.584
  125   HH21  ARG  17          1HH2      ARG  17   8.817  -2.883 -19.162
  126   HH22  ARG  17          2HH2      ARG  17   8.675  -1.457 -20.132
  127    H    GLU  18           HN       GLU  18   3.350  -6.005 -12.798
  128    HA   GLU  18           HA       GLU  18   2.743  -7.870 -14.994
  129    HB2  GLU  18          2HB       GLU  18   3.413  -8.475 -12.126
  130    HB3  GLU  18          3HB       GLU  18   2.465  -9.596 -13.093
  131    HG2  GLU  18          2HG       GLU  18   5.258  -8.643 -13.682
  132    HG3  GLU  18          3HG       GLU  18   4.790 -10.239 -13.098
  133    H    GLU  19           HN       GLU  19   1.446  -8.222 -11.790
  134    HA   GLU  19           HA       GLU  19  -0.954  -6.727 -12.296
  135    HB2  GLU  19          2HB       GLU  19  -0.829  -9.467 -13.123
  136    HB3  GLU  19          3HB       GLU  19  -1.957  -9.327 -11.783
  137    HG2  GLU  19          2HG       GLU  19  -2.675  -7.207 -13.334
  138    HG3  GLU  19          3HG       GLU  19  -2.184  -8.392 -14.542
  139    H    MET  20           HN       MET  20  -2.348  -6.625 -10.471
  140    HA   MET  20           HA       MET  20  -1.286  -7.831  -8.011
  141    HB2  MET  20          2HB       MET  20  -1.926  -4.937  -8.519
  142    HB3  MET  20          3HB       MET  20  -1.961  -5.606  -6.894
  143    HG2  MET  20          2HG       MET  20   0.358  -6.184  -7.015
  144    HG3  MET  20          3HG       MET  20   0.427  -5.729  -8.716
  145    HE1  MET  20          1HE       MET  20  -0.141  -1.957  -8.664
  146    HE2  MET  20          2HE       MET  20  -0.829  -3.455  -9.289
  147    HE3  MET  20          3HE       MET  20  -1.570  -2.654  -7.902
  148    H    VAL  21           HN       VAL  21  -2.859  -9.213  -7.467
  149    HA   VAL  21           HA       VAL  21  -5.634  -8.216  -7.468
  150    HB   VAL  21           HB       VAL  21  -6.360 -10.569  -7.647
  151   HG11  VAL  21          1HG1      VAL  21  -5.010  -9.029  -9.688
  152   HG12  VAL  21          2HG1      VAL  21  -4.946 -10.759 -10.030
  153   HG13  VAL  21          3HG1      VAL  21  -6.502  -9.963  -9.785
  154   HG21  VAL  21          1HG2      VAL  21  -3.421 -11.027  -7.573
  155   HG22  VAL  21          2HG2      VAL  21  -4.726 -11.947  -6.825
  156   HG23  VAL  21          3HG2      VAL  21  -4.417 -12.101  -8.555
  157    H    THR  22           HN       THR  22  -3.364 -10.375  -5.792
  158    HA   THR  22           HA       THR  22  -4.876  -9.886  -3.308
  159    HB   THR  22           HB       THR  22  -3.455 -12.223  -2.855
  160    HG1  THR  22          1HG       THR  22  -3.062 -12.541  -5.051
  161   HG21  THR  22          1HG2      THR  22  -6.332 -11.774  -3.645
  162   HG22  THR  22          2HG2      THR  22  -5.665 -11.858  -2.015
  163   HG23  THR  22          3HG2      THR  22  -5.715 -13.303  -3.022
  164    H    GLY  23           HN       GLY  23  -3.380 -10.549  -1.345
  165    HA2  GLY  23          1HA       GLY  23  -1.706  -9.546  -0.072
  166    HA3  GLY  23          2HA       GLY  23  -0.721 -10.510  -1.163
  167    H    ALA  24           HN       ALA  24  -2.393  -7.366  -1.041
  168    HA   ALA  24           HA       ALA  24   0.033  -6.074  -2.001
  169    HB1  ALA  24          1HB       ALA  24  -1.049  -4.934  -3.833
  170    HB2  ALA  24          2HB       ALA  24  -1.220  -6.677  -4.044
  171    HB3  ALA  24          3HB       ALA  24  -2.582  -5.722  -3.461
  172    H    LYS  25           HN       LYS  25   0.200  -3.922  -1.421
  173    HA   LYS  25           HA       LYS  25  -1.902  -2.956   0.399
  174    HB2  LYS  25          2HB       LYS  25   0.915  -1.912   0.353
  175    HB3  LYS  25          3HB       LYS  25  -0.261  -1.847   1.660
  176    HG2  LYS  25          2HG       LYS  25   1.055  -4.365   0.660
  177    HG3  LYS  25          3HG       LYS  25   1.577  -3.440   2.071
  178    HD2  LYS  25          2HD       LYS  25  -1.172  -3.855   2.413
  179    HD3  LYS  25          3HD       LYS  25  -0.526  -5.395   1.838
  180    HE2  LYS  25          2HE       LYS  25   0.864  -5.643   3.667
  181    HE3  LYS  25          3HE       LYS  25   0.895  -3.912   4.007
  182    HZ1  LYS  25          1HZ       LYS  25  -1.729  -4.642   4.297
  183    HZ2  LYS  25          2HZ       LYS  25  -0.631  -4.326   5.544
  184    HZ3  LYS  25          3HZ       LYS  25  -0.868  -5.912   5.007
  185    H    ARG  26           HN       ARG  26  -1.698  -0.415   0.607
  186    HA   ARG  26           HA       ARG  26  -1.507   0.734  -2.095
  187    HB2  ARG  26          2HB       ARG  26  -3.882   0.271  -1.449
  188    HB3  ARG  26          3HB       ARG  26  -3.682   1.383  -0.101
  189    HG2  ARG  26          2HG       ARG  26  -3.017   3.109  -1.873
  190    HG3  ARG  26          3HG       ARG  26  -3.717   1.980  -3.035
  191    HD2  ARG  26          2HD       ARG  26  -5.277   3.765  -2.227
  192    HD3  ARG  26          3HD       ARG  26  -5.854   2.115  -1.995
  193    HE   ARG  26           HE       ARG  26  -4.479   3.231   0.280
  194   HH11  ARG  26          1HH1      ARG  26  -7.535   2.826  -1.337
  195   HH12  ARG  26          2HH1      ARG  26  -8.475   3.061   0.101
  196   HH21  ARG  26          1HH2      ARG  26  -5.705   3.541   2.179
  197   HH22  ARG  26          2HH2      ARG  26  -7.432   3.469   2.100
  198    H    LEU  27           HN       LEU  27   0.082   2.177  -2.033
  199    HA   LEU  27           HA       LEU  27   1.061   3.379   0.326
  200    HB2  LEU  27          2HB       LEU  27   1.455   4.039  -2.583
  201    HB3  LEU  27          3HB       LEU  27   2.298   4.875  -1.281
  202    HG   LEU  27           HG       LEU  27   2.528   1.940  -1.949
  203   HD11  LEU  27          1HD1      LEU  27   4.414   2.392  -3.100
  204   HD12  LEU  27          2HD1      LEU  27   4.848   3.757  -2.071
  205   HD13  LEU  27          3HD1      LEU  27   3.634   3.957  -3.335
  206   HD21  LEU  27          1HD2      LEU  27   3.140   1.758   0.193
  207   HD22  LEU  27          2HD2      LEU  27   3.265   3.505   0.403
  208   HD23  LEU  27          3HD2      LEU  27   4.609   2.601  -0.296
  209    HA   PRO  28           HA       PRO  28  -1.529   6.876   0.905
  210    HB2  PRO  28          2HB       PRO  28   0.244   8.674   1.900
  211    HB3  PRO  28          3HB       PRO  28  -0.338   7.286   2.827
  212    HG2  PRO  28          2HG       PRO  28   2.227   7.618   1.320
  213    HG3  PRO  28          3HG       PRO  28   1.954   6.905   2.921
  214    HD2  PRO  28          2HD       PRO  28   2.288   5.401   0.695
  215    HD3  PRO  28          3HD       PRO  28   1.253   4.893   2.044
  216    H    CYS  29           HN       CYS  29   0.680   6.711  -1.529
  217    HA   CYS  29           HA       CYS  29   0.223   9.476  -2.420
  218    HB2  CYS  29          2HB       CYS  29   2.044   8.881  -4.117
  219    HB3  CYS  29          3HB       CYS  29   2.544   9.048  -2.438
  220    H    ASN  30           HN       ASN  30  -1.133   6.530  -2.733
  221    HA   ASN  30           HA       ASN  30  -2.834   5.864  -4.133
  222    HB2  ASN  30          2HB       ASN  30  -2.679   8.467  -4.830
  223    HB3  ASN  30          3HB       ASN  30  -2.146   7.725  -6.335
  224   HD21  ASN  30          1HD2      ASN  30  -3.793   7.766  -7.683
  225   HD22  ASN  30          2HD2      ASN  30  -5.410   7.276  -7.324
  226    H    HIS  31           HN       HIS  31  -0.603   4.442  -4.035
  227    HA   HIS  31           HA       HIS  31  -0.388   3.390  -6.726
  228    HB2  HIS  31          2HB       HIS  31   2.076   4.290  -5.217
  229    HB3  HIS  31          3HB       HIS  31   2.073   3.405  -6.739
  230    HD2  HIS  31          2HD       HIS  31   0.323   5.077  -8.693
  231    HE1  HIS  31          1HE       HIS  31   2.262   8.553  -7.224
  232    HE2  HIS  31          2HE       HIS  31   0.795   7.597  -9.034
  233    H    ILE  32           HN       ILE  32  -0.767   1.297  -6.480
  234    HA   ILE  32           HA       ILE  32  -0.074  -0.018  -3.967
  235    HB   ILE  32           HB       ILE  32  -1.738  -0.964  -6.301
  236   HG12  ILE  32          2HG1      ILE  32  -2.873  -0.679  -3.585
  237   HG13  ILE  32          3HG1      ILE  32  -2.433   0.825  -4.385
  238   HG21  ILE  32          1HG2      ILE  32  -0.490  -2.435  -4.151
  239   HG22  ILE  32          2HG2      ILE  32  -2.245  -2.592  -4.108
  240   HG23  ILE  32          3HG2      ILE  32  -1.357  -3.028  -5.567
  241   HD11  ILE  32          1HD1      ILE  32  -3.775  -0.219  -6.380
  242   HD12  ILE  32          2HD1      ILE  32  -4.526  -1.159  -5.090
  243   HD13  ILE  32          3HD1      ILE  32  -4.599   0.604  -5.056
  244    H    PHE  33           HN       PHE  33   1.265  -1.791  -3.813
  245    HA   PHE  33           HA       PHE  33   2.542  -2.838  -6.205
  246    HB2  PHE  33          2HB       PHE  33   4.197  -1.661  -3.964
  247    HB3  PHE  33          3HB       PHE  33   4.800  -2.403  -5.442
  248    HD1  PHE  33          1HD       PHE  33   3.864   0.624  -3.866
  249    HD2  PHE  33          2HD       PHE  33   4.116  -1.284  -7.662
  250    HE1  PHE  33          1HE       PHE  33   3.850   2.823  -4.969
  251    HE2  PHE  33          2HE       PHE  33   4.103   0.912  -8.771
  252    HZ   PHE  33           HZ       PHE  33   3.971   2.970  -7.424
  253    H    HIS  34           HN       HIS  34   3.327  -4.903  -5.967
  254    HA   HIS  34           HA       HIS  34   2.201  -6.636  -4.202
  255    HB2  HIS  34          2HB       HIS  34   4.852  -6.774  -5.624
  256    HB3  HIS  34          3HB       HIS  34   4.266  -8.107  -4.634
  257    HD2  HIS  34          2HD       HIS  34   1.160  -8.175  -5.668
  258    HE1  HIS  34          1HE       HIS  34   2.888  -8.604  -9.518
  259    HE2  HIS  34          2HE       HIS  34   0.781  -8.792  -8.151
  260    H    THR  35           HN       THR  35   2.442  -7.209  -2.129
  261    HA   THR  35           HA       THR  35   3.861  -5.645  -0.314
  262    HB   THR  35           HB       THR  35   3.082  -8.516   0.192
  263    HG1  THR  35          1HG       THR  35   1.042  -7.543   0.855
  264   HG21  THR  35          1HG2      THR  35   2.747  -6.352   2.191
  265   HG22  THR  35          2HG2      THR  35   4.398  -6.860   1.830
  266   HG23  THR  35          3HG2      THR  35   3.219  -8.036   2.413
  267    H    SER  36           HN       SER  36   4.936  -8.215  -2.307
  268    HA   SER  36           HA       SER  36   7.298  -8.735  -0.675
  269    HB2  SER  36          2HB       SER  36   6.781  -9.946  -3.379
  270    HB3  SER  36          3HB       SER  36   7.689 -10.615  -2.023
  271    HG   SER  36           HG       SER  36   5.504 -10.523  -0.936
  272    H    CYS  37           HN       CYS  37   6.427  -7.417  -3.840
  273    HA   CYS  37           HA       CYS  37   9.082  -6.903  -4.690
  274    HB2  CYS  37          2HB       CYS  37   6.482  -5.618  -5.554
  275    HB3  CYS  37          3HB       CYS  37   8.021  -5.457  -6.395
  276    H    LEU  38           HN       LEU  38   6.959  -5.294  -2.524
  277    HA   LEU  38           HA       LEU  38   8.171  -2.700  -2.736
  278    HB2  LEU  38          2HB       LEU  38   6.195  -3.975  -0.889
  279    HB3  LEU  38          3HB       LEU  38   6.923  -2.426  -0.469
  280    HG   LEU  38           HG       LEU  38   5.283  -2.990  -2.940
  281   HD11  LEU  38          1HD1      LEU  38   4.645  -1.602  -0.348
  282   HD12  LEU  38          2HD1      LEU  38   3.833  -2.993  -1.064
  283   HD13  LEU  38          3HD1      LEU  38   3.688  -1.404  -1.817
  284   HD21  LEU  38          1HD2      LEU  38   6.113  -1.112  -3.775
  285   HD22  LEU  38          2HD2      LEU  38   7.168  -0.942  -2.372
  286   HD23  LEU  38          3HD2      LEU  38   5.554  -0.229  -2.355
  287    H    ARG  39           HN       ARG  39   8.122  -5.134  -0.123
  288    HA   ARG  39           HA       ARG  39  10.040  -3.954   1.501
  289    HB2  ARG  39          2HB       ARG  39   9.468  -6.900   1.130
  290    HB3  ARG  39          3HB       ARG  39  10.355  -6.200   2.477
  291    HG2  ARG  39          2HG       ARG  39   8.245  -4.825   2.915
  292    HG3  ARG  39          3HG       ARG  39   7.441  -5.956   1.825
  293    HD2  ARG  39          2HD       ARG  39   8.310  -7.814   3.270
  294    HD3  ARG  39          3HD       ARG  39   8.854  -6.585   4.410
  295    HE   ARG  39           HE       ARG  39   6.230  -6.004   4.058
  296   HH11  ARG  39          1HH1      ARG  39   7.961  -8.899   4.917
  297   HH12  ARG  39          2HH1      ARG  39   6.672  -9.541   5.880
  298   HH21  ARG  39          1HH2      ARG  39   4.526  -6.837   5.324
  299   HH22  ARG  39          2HH2      ARG  39   4.718  -8.367   6.110
  300    H    SER  40           HN       SER  40  10.414  -5.583  -1.496
  301    HA   SER  40           HA       SER  40  13.264  -6.052  -1.080
  302    HB2  SER  40          2HB       SER  40  12.395  -7.863  -2.240
  303    HB3  SER  40          3HB       SER  40  11.271  -6.867  -3.163
  304    HG   SER  40           HG       SER  40  12.963  -6.166  -4.432
  305    H    TRP  41           HN       TRP  41  11.132  -3.761  -2.500
  306    HA   TRP  41           HA       TRP  41  13.086  -2.636  -4.300
  307    HB2  TRP  41          2HB       TRP  41  10.775  -2.486  -4.951
  308    HB3  TRP  41          3HB       TRP  41  10.345  -1.708  -3.430
  309    HD1  TRP  41          1HD       TRP  41  11.038   0.884  -3.141
  310    HE1  TRP  41          1HE       TRP  41  11.534   2.710  -4.885
  311    HE3  TRP  41          3HE       TRP  41  11.783  -2.085  -7.236
  312    HZ2  TRP  41          2HZ       TRP  41  12.158   2.871  -7.633
  313    HZ3  TRP  41          3HZ       TRP  41  12.326  -1.017  -9.384
  314    HH2  TRP  41          2HH       TRP  41  12.509   1.410  -9.577
  315    H    PHE  42           HN       PHE  42  11.472  -1.545  -1.316
  316    HA   PHE  42           HA       PHE  42  13.040   0.799  -1.039
  317    HB2  PHE  42          2HB       PHE  42  11.414  -0.753   0.983
  318    HB3  PHE  42          3HB       PHE  42  12.145   0.817   1.300
  319    HD1  PHE  42          1HD       PHE  42   9.155  -0.635   0.670
  320    HD2  PHE  42          2HD       PHE  42  11.606   2.496  -0.851
  321    HE1  PHE  42          1HE       PHE  42   7.162   0.474  -0.253
  322    HE2  PHE  42          2HE       PHE  42   9.616   3.609  -1.775
  323    HZ   PHE  42           HZ       PHE  42   7.390   2.599  -1.476
  324    H    GLN  43           HN       GLN  43  13.725  -2.474  -0.488
  325    HA   GLN  43           HA       GLN  43  15.421  -2.436   1.712
  326    HB2  GLN  43          2HB       GLN  43  15.018  -4.173  -0.627
  327    HB3  GLN  43          3HB       GLN  43  16.628  -4.260   0.076
  328    HG2  GLN  43          2HG       GLN  43  14.500  -4.353   2.061
  329    HG3  GLN  43          3HG       GLN  43  14.435  -5.676   0.898
  330   HE21  GLN  43          1HE2      GLN  43  17.052  -6.146   0.384
  331   HE22  GLN  43          2HE2      GLN  43  17.857  -6.680   1.816
  332    H    ARG  44           HN       ARG  44  15.906  -1.227  -1.501
  333    HA   ARG  44           HA       ARG  44  18.661  -0.481  -0.766
  334    HB2  ARG  44          2HB       ARG  44  17.647  -1.110  -3.544
  335    HB3  ARG  44          3HB       ARG  44  19.290  -0.653  -3.116
  336    HG2  ARG  44          2HG       ARG  44  19.765  -2.699  -2.183
  337    HG3  ARG  44          3HG       ARG  44  18.069  -3.057  -1.849
  338    HD2  ARG  44          2HD       ARG  44  17.717  -3.215  -4.329
  339    HD3  ARG  44          3HD       ARG  44  19.466  -3.095  -4.518
  340    HE   ARG  44           HE       ARG  44  19.675  -5.262  -3.769
  341   HH11  ARG  44          1HH1      ARG  44  16.425  -4.133  -3.235
  342   HH12  ARG  44          2HH1      ARG  44  15.809  -5.699  -2.823
  343   HH21  ARG  44          1HH2      ARG  44  18.875  -7.329  -3.231
  344   HH22  ARG  44          2HH2      ARG  44  17.203  -7.516  -2.821
  345    H    GLN  45           HN       GLN  45  15.609   0.461  -2.121
  346    HA   GLN  45           HA       GLN  45  16.622   3.202  -2.481
  347    HB2  GLN  45          2HB       GLN  45  14.548   1.618  -3.936
  348    HB3  GLN  45          3HB       GLN  45  14.370   3.365  -3.841
  349    HG2  GLN  45          2HG       GLN  45  15.725   3.557  -5.572
  350    HG3  GLN  45          3HG       GLN  45  17.030   2.899  -4.585
  351   HE21  GLN  45          1HE2      GLN  45  17.533   0.703  -4.743
  352   HE22  GLN  45          2HE2      GLN  45  17.029  -0.252  -6.090
  353    H    GLN  46           HN       GLN  46  14.635   4.809  -2.315
  354    HA   GLN  46           HA       GLN  46  12.876   4.093  -0.102
  355    HB2  GLN  46          2HB       GLN  46  15.147   5.212   0.632
  356    HB3  GLN  46          3HB       GLN  46  14.343   6.688   0.114
  357    HG2  GLN  46          2HG       GLN  46  12.573   6.349   1.691
  358    HG3  GLN  46          3HG       GLN  46  13.208   4.763   2.127
  359   HE21  GLN  46          1HE2      GLN  46  14.018   8.200   2.103
  360   HE22  GLN  46          2HE2      GLN  46  15.009   8.159   3.517
  361    H    THR  47           HN       THR  47  12.580   4.721  -2.968
  362    HA   THR  47           HA       THR  47  10.628   6.893  -2.668
  363    HB   THR  47           HB       THR  47  11.645   7.001  -5.326
  364    HG1  THR  47          1HG       THR  47  13.826   7.796  -4.568
  365   HG21  THR  47          1HG2      THR  47  11.748   9.273  -4.919
  366   HG22  THR  47          2HG2      THR  47  12.264   9.057  -3.246
  367   HG23  THR  47          3HG2      THR  47  10.587   8.756  -3.699
  368    H    CYS  48           HN       CYS  48   8.781   6.711  -3.923
  369    HA   CYS  48           HA       CYS  48   7.766   4.224  -4.468
  370    HB2  CYS  48          2HB       CYS  48   6.779   6.757  -4.584
  371    HB3  CYS  48          3HB       CYS  48   6.812   6.336  -6.293
  372    HA   PRO  49           HA       PRO  49   9.838   2.840  -8.108
  373    HB2  PRO  49          2HB       PRO  49   8.095   0.882  -8.818
  374    HB3  PRO  49          3HB       PRO  49   9.218   0.723  -7.463
  375    HG2  PRO  49          2HG       PRO  49   6.311   1.439  -7.440
  376    HG3  PRO  49          3HG       PRO  49   7.203   0.347  -6.366
  377    HD2  PRO  49          2HD       PRO  49   6.554   2.877  -5.656
  378    HD3  PRO  49          3HD       PRO  49   8.032   2.076  -5.088
  379    H    THR  50           HN       THR  50   7.091   4.654  -8.065
  380    HA   THR  50           HA       THR  50   7.018   4.782 -10.998
  381    HB   THR  50           HB       THR  50   5.060   3.472 -10.267
  382    HG1  THR  50          1HG       THR  50   3.912   5.898 -11.016
  383   HG21  THR  50          1HG2      THR  50   3.368   4.357  -8.866
  384   HG22  THR  50          2HG2      THR  50   4.088   5.967  -8.891
  385   HG23  THR  50          3HG2      THR  50   4.892   4.655  -8.029
  386    H    CYS  51           HN       CYS  51   5.948   6.348  -7.986
  387    HA   CYS  51           HA       CYS  51   6.109   8.955  -9.314
  388    HB2  CYS  51          2HB       CYS  51   4.667   9.788  -7.701
  389    HB3  CYS  51          3HB       CYS  51   4.114   8.122  -7.838
  390    H    ARG  52           HN       ARG  52   8.080   6.947  -7.610
  391    HA   ARG  52           HA       ARG  52   9.825   7.241  -6.119
  392    HB2  ARG  52          2HB       ARG  52  10.731   9.574  -7.694
  393    HB3  ARG  52          3HB       ARG  52  11.576   8.085  -7.297
  394    HG2  ARG  52          2HG       ARG  52   9.362   8.193  -9.322
  395    HG3  ARG  52          3HG       ARG  52  11.052   8.482  -9.738
  396    HD2  ARG  52          2HD       ARG  52  11.087   6.146  -8.230
  397    HD3  ARG  52          3HD       ARG  52   9.663   5.989  -9.256
  398    HE   ARG  52           HE       ARG  52  12.345   5.730 -10.075
  399   HH11  ARG  52          1HH1      ARG  52   9.321   7.109 -11.109
  400   HH12  ARG  52          2HH1      ARG  52   9.692   6.984 -12.797
  401   HH21  ARG  52          1HH2      ARG  52  12.845   5.561 -12.294
  402   HH22  ARG  52          2HH2      ARG  52  11.697   6.103 -13.470
  403    H    MET  53           HN       MET  53   8.026   8.188  -4.618
  404    HA   MET  53           HA       MET  53   8.940  10.855  -3.764
  405    HB2  MET  53          2HB       MET  53   6.591  10.716  -4.810
  406    HB3  MET  53          3HB       MET  53   6.127   9.879  -3.335
  407    HG2  MET  53          2HG       MET  53   7.545  12.468  -3.069
  408    HG3  MET  53          3HG       MET  53   5.871  12.492  -3.618
  409    HE1  MET  53          1HE       MET  53   4.199  10.254  -1.256
  410    HE2  MET  53          2HE       MET  53   3.694  11.935  -1.079
  411    HE3  MET  53          3HE       MET  53   4.112  11.302  -2.673
  412    H    ASP  54           HN       ASP  54   9.822  10.837  -1.813
  413    HA   ASP  54           HA       ASP  54  10.231   8.708  -0.185
  414    HB2  ASP  54          2HB       ASP  54  11.409  10.703   0.301
  415    HB3  ASP  54          3HB       ASP  54   9.922  11.623   0.513
  416    H    VAL  55           HN       VAL  55   9.014   7.402   1.003
  417    HA   VAL  55           HA       VAL  55   6.347   8.348   1.836
  418    HB   VAL  55           HB       VAL  55   5.779   5.853   1.884
  419   HG11  VAL  55          1HG1      VAL  55   4.948   7.468   0.206
  420   HG12  VAL  55          2HG1      VAL  55   6.345   7.096  -0.805
  421   HG13  VAL  55          3HG1      VAL  55   5.156   5.843  -0.447
  422   HG21  VAL  55          1HG2      VAL  55   8.291   5.774   0.218
  423   HG22  VAL  55          2HG2      VAL  55   7.998   4.933   1.742
  424   HG23  VAL  55          3HG2      VAL  55   7.101   4.474   0.294
  425    H    LEU  56           HN       LEU  56   9.169   6.431   2.737
  426    HA   LEU  56           HA       LEU  56   8.523   5.350   5.123
  427    HB2  LEU  56          2HB       LEU  56  10.944   6.361   3.911
  428    HB3  LEU  56          3HB       LEU  56  10.973   6.559   5.662
  429    HG   LEU  56           HG       LEU  56  12.005   4.438   4.692
  430   HD11  LEU  56          1HD1      LEU  56  10.742   3.036   6.506
  431   HD12  LEU  56          2HD1      LEU  56  10.035   4.596   6.922
  432   HD13  LEU  56          3HD1      LEU  56  11.785   4.380   6.974
  433   HD21  LEU  56          1HD2      LEU  56  10.665   2.721   3.916
  434   HD22  LEU  56          2HD2      LEU  56   9.913   4.139   3.185
  435   HD23  LEU  56          3HD2      LEU  56   9.200   3.405   4.622