*HEADER    UNKNOWN FUNCTION                        22-JUN-16   5KKM              
*TITLE     CON-VC11-22                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: O2_CONTRYPHAN_VC1 PREPROPEPTIDE;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 68-89;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;                                
*SOURCE   3 ORGANISM_COMMON: QUEEN VICTORIA CONE;                                
*SOURCE   4 ORGANISM_TAXID: 319920;                                              
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET32A                                     
*KEYWDS    SINGLE DISULFIDE-DIRECTED BETA HAIRPIN, CONTRYPHAN-VC1, STABILITY,    
*KEYWDS   2 PEPTIDE SCAFFOLD, UNKNOWN FUNCTION                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.CHITTOOR,B.KRISHNARJUNA,C.A.MACRAILD,S.D.ROBINSON                   
*REVDAT   1   31-MAY-17 5KKM    0                                                
# Restraints file 1: con_Vc1R_dih.tbl
! PHI From 3Jna

assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    40.0  -120.0   40.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    40.0  -60.0   30.0 2     
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    40.0  -120.0   40.0 2 
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    40.0  -60.0   30.0 2
assign (resid    12 and name C    ) (resid    13 and name N    )
       (resid    13 and name CA   ) (resid    13 and name C    )    40.0  -120.0   40.0 2     
assign (resid    14 and name C    ) (resid    15 and name N    )
       (resid    15 and name CA   ) (resid    15 and name C    )    40.0  -120.0   40.0 2
assign (resid    16 and name C    ) (resid    17 and name N    )
       (resid    17 and name CA   ) (resid    17 and name C    )    40.0  -120.0   40.0 2
assign (resid    17 and name C    ) (resid    18 and name N    )
       (resid    18 and name CA   ) (resid    18 and name C    )    40.0  -60.0   30.0 2      
assign (resid    18 and name C    ) (resid    19 and name N    )
       (resid    19 and name CA   ) (resid    19 and name C    )    40.0  -120.0   40.0 2
assign (resid    19 and name C    ) (resid    20 and name N    )
       (resid    20 and name CA   ) (resid    20 and name C    )    40.0  -120.0   40.0 2    
   
            
!! CHI1
!assign (resid 3 and name N ) (resid 3 and name CA)
!       (resid 3 and name CB) (resid 3 and name SG) 40.0  -60 60 2
!assign (resid 10  and name N ) (resid 10  and name CA)
!       (resid 10  and name CB) (resid 10  and name CG) 40.0 60 60 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLN   1           HN       GLN   1   0.205  -5.671  -4.805
    2    HA   GLN   1           HA       GLN   1   2.536  -4.881  -3.298
    3    HB2  GLN   1           HB2      GLN   1   1.967  -5.515  -6.171
    4    HB3  GLN   1           HB1      GLN   1   3.467  -4.691  -5.745
    5    HG2  GLN   1           HG2      GLN   1   4.015  -6.486  -4.153
    6    HG3  GLN   1           HG1      GLN   1   2.508  -7.308  -4.554
    7   HE21  GLN   1          HE21      GLN   1   3.340  -6.024  -7.442
    8   HE22  GLN   1          HE22      GLN   1   4.301  -7.275  -8.068
    9    H    TRP   2           HN       TRP   2   1.419  -2.879  -2.498
   10    HA   TRP   2           HA       TRP   2   2.025  -0.643  -4.323
   11    HB2  TRP   2           HB2      TRP   2  -0.403  -0.953  -4.353
   12    HB3  TRP   2           HB1      TRP   2  -0.445  -0.905  -2.592
   13    HD1  TRP   2           HD1      TRP   2   0.207   1.325  -5.635
   14    HE1  TRP   2           HE1      TRP   2  -0.041   3.788  -4.916
   15    HE3  TRP   2           HE3      TRP   2  -0.364   0.720  -0.596
   16    HZ2  TRP   2           HZ2      TRP   2  -0.434   5.301  -2.521
   17    HZ3  TRP   2           HZ3      TRP   2  -0.676   2.688   0.879
   18    HH2  TRP   2           HH2      TRP   2  -0.711   4.975  -0.076
   19    H    CYS   3           HN       CYS   3   3.288   0.850  -3.414
   20    HA   CYS   3           HA       CYS   3   3.644   0.781  -0.475
   21    HB2  CYS   3           HB2      CYS   3   5.560   1.764  -2.605
   22    HB3  CYS   3           HB1      CYS   3   5.879   1.698  -0.873
   23    H    GLN   4           HN       GLN   4   3.254   2.571   0.682
   24    HA   GLN   4           HA       GLN   4   1.937   4.784  -0.532
   25    HB2  GLN   4           HB2      GLN   4   1.839   5.698   1.762
   26    HB3  GLN   4           HB1      GLN   4   1.347   4.023   1.718
   27    HG2  GLN   4           HG2      GLN   4   4.156   4.855   2.396
   28    HG3  GLN   4           HG1      GLN   4   2.906   4.668   3.613
   29   HE21  GLN   4          HE21      GLN   4   5.214   2.996   3.638
   30   HE22  GLN   4          HE22      GLN   4   4.737   1.415   3.254
   31    HA   PRO   5           HA       PRO   5   5.241   7.590  -1.489
   32    HB2  PRO   5           HB2      PRO   5   4.036   9.561   0.422
   33    HB3  PRO   5           HB1      PRO   5   4.541   9.792  -1.265
   34    HG2  PRO   5           HG2      PRO   5   1.989   9.575  -0.678
   35    HG3  PRO   5           HG1      PRO   5   2.648   8.758  -2.108
   36    HD2  PRO   5           HD2      PRO   5   1.871   7.588   0.539
   37    HD3  PRO   5           HD1      PRO   5   1.686   6.915  -1.095
   38    H    GLY   6           HN       GLY   6   7.289   7.924  -0.728
   39    HA2  GLY   6           HA2      GLY   6   8.961   8.411   0.865
   40    HA3  GLY   6           HA1      GLY   6   7.779   8.168   2.149
   41    H    TYR   7           HN       TYR   7   7.155   5.653   0.275
   42    HA   TYR   7           HA       TYR   7   9.197   3.912   1.529
   43    HB2  TYR   7           HB2      TYR   7   6.251   3.453   1.067
   44    HB3  TYR   7           HB1      TYR   7   7.371   2.144   1.421
   45    HD1  TYR   7           HD1      TYR   7   6.298   5.501   2.702
   46    HD2  TYR   7           HD2      TYR   7   7.877   1.623   3.642
   47    HE1  TYR   7           HE1      TYR   7   6.179   6.034   5.123
   48    HE2  TYR   7           HE2      TYR   7   7.774   2.153   6.054
   49    HH   TYR   7           HH       TYR   7   6.966   5.379   7.189
   50    H    ALA   8           HN       ALA   8  10.148   2.363   0.293
   51    HA   ALA   8           HA       ALA   8   9.500   2.394  -2.594
   52    HB1  ALA   8           HB1      ALA   8  11.919   1.495  -2.762
   53    HB2  ALA   8           HB2      ALA   8  12.098   2.080  -1.107
   54    HB3  ALA   8           HB3      ALA   8  11.697   3.207  -2.402
   55    H    TYR   9           HN       TYR   9   8.941   0.527  -3.552
   56    HA   TYR   9           HA       TYR   9   8.272  -1.745  -2.013
   57    HB2  TYR   9           HB2      TYR   9   7.143  -1.234  -4.125
   58    HB3  TYR   9           HB1      TYR   9   8.648  -1.501  -5.006
   59    HD1  TYR   9           HD1      TYR   9   6.212  -3.168  -2.718
   60    HD2  TYR   9           HD2      TYR   9   9.288  -3.685  -5.678
   61    HE1  TYR   9           HE1      TYR   9   5.725  -5.597  -2.803
   62    HE2  TYR   9           HE2      TYR   9   8.794  -6.112  -5.761
   63    HH   TYR   9           HH       TYR   9   6.050  -7.474  -4.626
   64    H    ASN  10           HN       ASN  10   9.382  -3.491  -1.433
   65    HA   ASN  10           HA       ASN  10  12.103  -3.824  -2.510
   66    HB2  ASN  10           HB2      ASN  10  11.002  -3.996   0.188
   67    HB3  ASN  10           HB1      ASN  10  11.996  -5.380  -0.261
   68   HD21  ASN  10          HD21      ASN  10  14.209  -5.105  -0.119
   69   HD22  ASN  10          HD22      ASN  10  14.989  -3.608  -0.006
   70    HA   PRO  11           HA       PRO  11  10.035  -7.538  -4.092
   71    HB2  PRO  11           HB2      PRO  11  12.031  -8.375  -5.769
   72    HB3  PRO  11           HB1      PRO  11  10.860  -7.115  -6.191
   73    HG2  PRO  11           HG2      PRO  11  13.689  -6.867  -5.372
   74    HG3  PRO  11           HG1      PRO  11  12.725  -5.856  -6.462
   75    HD2  PRO  11           HD2      PRO  11  13.365  -5.220  -3.828
   76    HD3  PRO  11           HD1      PRO  11  12.056  -4.473  -4.763
   77    H    VAL  12           HN       VAL  12  13.307  -7.370  -2.824
   78    HA   VAL  12           HA       VAL  12  13.718 -10.141  -2.402
   79    HB   VAL  12           HB       VAL  12  14.878  -7.700  -1.048
   80   HG11  VAL  12          HG11      VAL  12  15.381  -9.242   0.578
   81   HG12  VAL  12          HG12      VAL  12  16.674  -9.646  -0.551
   82   HG13  VAL  12          HG13      VAL  12  15.198 -10.611  -0.519
   83   HG21  VAL  12          HG21      VAL  12  16.051  -9.658  -3.048
   84   HG22  VAL  12          HG22      VAL  12  16.814  -8.187  -2.446
   85   HG23  VAL  12          HG23      VAL  12  15.386  -8.081  -3.475
   86    H    LEU  13           HN       LEU  13  12.461  -7.557  -0.304
   87    HA   LEU  13           HA       LEU  13  11.914  -9.418   1.856
   88    HB2  LEU  13           HB2      LEU  13  11.108  -6.513   1.542
   89    HB3  LEU  13           HB1      LEU  13  11.009  -7.465   3.020
   90    HG   LEU  13           HG       LEU  13  13.566  -6.831   1.513
   91   HD11  LEU  13          HD11      LEU  13  12.085  -5.497   3.699
   92   HD12  LEU  13          HD12      LEU  13  13.276  -4.838   2.576
   93   HD13  LEU  13          HD13      LEU  13  13.807  -5.733   4.000
   94   HD21  LEU  13          HD21      LEU  13  14.432  -7.678   3.878
   95   HD22  LEU  13          HD22      LEU  13  14.061  -8.831   2.597
   96   HD23  LEU  13          HD23      LEU  13  12.895  -8.542   3.887
   97    H    GLY  14           HN       GLY  14  10.217  -7.984  -0.825
   98    HA2  GLY  14           HA2      GLY  14   8.196  -8.673  -1.757
   99    HA3  GLY  14           HA1      GLY  14   7.943  -9.724  -0.367
  100    H    ILE  15           HN       ILE  15   8.781  -6.727   0.791
  101    HA   ILE  15           HA       ILE  15   5.998  -5.750   0.839
  102    HB   ILE  15           HB       ILE  15   6.390  -5.123   3.265
  103   HG12  ILE  15          HG12      ILE  15   8.080  -6.600   4.434
  104   HG13  ILE  15          HG11      ILE  15   8.716  -7.034   2.852
  105   HG21  ILE  15          HG21      ILE  15   6.045  -7.554   4.018
  106   HG22  ILE  15          HG22      ILE  15   6.226  -7.985   2.317
  107   HG23  ILE  15          HG23      ILE  15   4.911  -6.924   2.824
  108   HD11  ILE  15          HD11      ILE  15   8.448  -4.121   3.490
  109   HD12  ILE  15          HD12      ILE  15   9.651  -4.949   2.504
  110   HD13  ILE  15          HD13      ILE  15   9.752  -5.021   4.260
  111    H    CYS  16           HN       CYS  16   5.955  -3.467   1.855
  112    HA   CYS  16           HA       CYS  16   7.890  -1.864   0.376
  113    HB2  CYS  16           HB2      CYS  16   5.485  -1.036   2.025
  114    HB3  CYS  16           HB1      CYS  16   6.438   0.027   0.992
  115    H    THR  17           HN       THR  17   9.455  -0.591   1.277
  116    HA   THR  17           HA       THR  17   9.616  -0.499   4.231
  117    HB   THR  17           HB       THR  17  12.060  -0.719   4.052
  118    HG1  THR  17           HG1      THR  17  11.439  -1.038   1.308
  119   HG21  THR  17          HG21      THR  17  10.999  -3.028   2.475
  120   HG22  THR  17          HG22      THR  17  10.308  -2.714   4.068
  121   HG23  THR  17          HG23      THR  17  12.036  -3.026   3.902
  122    H    ILE  18           HN       ILE  18  10.671   1.330   5.108
  123    HA   ILE  18           HA       ILE  18  10.108   3.741   3.684
  124    HB   ILE  18           HB       ILE  18  10.091   3.250   6.258
  125   HG12  ILE  18          HG12      ILE  18  11.301   5.844   5.247
  126   HG13  ILE  18          HG11      ILE  18   9.587   5.451   5.125
  127   HG21  ILE  18          HG21      ILE  18  12.100   3.620   7.425
  128   HG22  ILE  18          HG22      ILE  18  12.874   4.381   6.034
  129   HG23  ILE  18          HG23      ILE  18  12.610   2.637   6.052
  130   HD11  ILE  18          HD11      ILE  18  10.536   4.971   7.815
  131   HD12  ILE  18          HD12      ILE  18   9.232   6.024   7.267
  132   HD13  ILE  18          HD13      ILE  18  10.889   6.627   7.321
  133    H    THR  19           HN       THR  19  11.559   5.340   2.989
  134    HA   THR  19           HA       THR  19  14.405   4.713   2.912
  135    HB   THR  19           HB       THR  19  13.465   3.605   0.901
  136    HG1  THR  19           HG1      THR  19  14.926   4.537  -0.490
  137   HG21  THR  19          HG21      THR  19  12.345   4.845  -0.801
  138   HG22  THR  19          HG22      THR  19  12.727   6.384  -0.028
  139   HG23  THR  19          HG23      THR  19  11.559   5.290   0.714
  140    H    LEU  20           HN       LEU  20  15.699   6.519   2.531
  141    HA   LEU  20           HA       LEU  20  14.275   9.114   2.503
  142    HB2  LEU  20           HB2      LEU  20  16.221   8.011   4.356
  143    HB3  LEU  20           HB1      LEU  20  16.786   9.529   3.661
  144    HG   LEU  20           HG       LEU  20  15.458   9.859   5.749
  145   HD11  LEU  20          HD11      LEU  20  13.565  11.102   3.980
  146   HD12  LEU  20          HD12      LEU  20  15.167  11.174   3.248
  147   HD13  LEU  20          HD13      LEU  20  14.900  11.845   4.858
  148   HD21  LEU  20          HD21      LEU  20  12.898   9.300   4.398
  149   HD22  LEU  20          HD22      LEU  20  13.397   8.950   6.052
  150   HD23  LEU  20          HD23      LEU  20  13.859   7.862   4.743
  151    H    SER  21           HN       SER  21  16.520   7.094   0.972
  152    HA   SER  21           HA       SER  21  17.981   7.383  -0.778
  153    HB2  SER  21           HB2      SER  21  16.206   9.781  -1.283
  154    HB3  SER  21           HB1      SER  21  17.329   9.077  -2.444
  155    HG   SER  21           HG       SER  21  14.842   8.370  -1.972
  156    H    ARG  22           HN       ARG  22  18.868   8.413   1.698
  157    HA   ARG  22           HA       ARG  22  20.954  10.155   0.787
  158    HB2  ARG  22           HB2      ARG  22  19.142  11.811   1.067
  159    HB3  ARG  22           HB1      ARG  22  18.940  11.294   2.741
  160    HG2  ARG  22           HG2      ARG  22  21.208  11.990   3.282
  161    HG3  ARG  22           HG1      ARG  22  21.527  12.378   1.591
  162    HD2  ARG  22           HD2      ARG  22  21.012  14.429   2.805
  163    HD3  ARG  22           HD1      ARG  22  19.712  14.078   1.671
  164    HE   ARG  22           HE       ARG  22  19.147  12.941   4.223
  165   HH11  ARG  22          HH11      ARG  22  17.573  13.970   5.498
  166   HH12  ARG  22          HH12      ARG  22  17.119  15.605   5.152
  167   HH21  ARG  22          HH21      ARG  22  19.289  15.919   2.466
  168   HH22  ARG  22          HH22      ARG  22  18.090  16.708   3.435
  Start of MODEL    2
    1    H    GLN   1           HN       GLN   1   0.547  -4.440  -6.716
    2    HA   GLN   1           HA       GLN   1   1.132  -4.870  -4.109
    3    HB2  GLN   1           HB2      GLN   1   3.602  -4.387  -3.933
    4    HB3  GLN   1           HB1      GLN   1   3.205  -5.965  -4.611
    5    HG2  GLN   1           HG2      GLN   1   3.487  -3.702  -6.531
    6    HG3  GLN   1           HG1      GLN   1   4.963  -4.310  -5.783
    7   HE21  GLN   1          HE21      GLN   1   5.815  -5.462  -7.594
    8   HE22  GLN   1          HE22      GLN   1   5.018  -6.779  -8.307
    9    H    TRP   2           HN       TRP   2   1.320  -2.974  -2.917
   10    HA   TRP   2           HA       TRP   2   1.721  -0.469  -4.411
   11    HB2  TRP   2           HB2      TRP   2  -0.708  -0.855  -4.331
   12    HB3  TRP   2           HB1      TRP   2  -0.626  -1.022  -2.577
   13    HD1  TRP   2           HD1      TRP   2  -0.336   1.562  -5.368
   14    HE1  TRP   2           HE1      TRP   2  -0.480   3.921  -4.339
   15    HE3  TRP   2           HE3      TRP   2  -0.219   0.367  -0.404
   16    HZ2  TRP   2           HZ2      TRP   2  -0.538   5.140  -1.750
   17    HZ3  TRP   2           HZ3      TRP   2  -0.319   2.145   1.318
   18    HH2  TRP   2           HH2      TRP   2  -0.476   4.526   0.654
   19    H    CYS   3           HN       CYS   3   2.908   0.990  -3.331
   20    HA   CYS   3           HA       CYS   3   3.409   0.516  -0.451
   21    HB2  CYS   3           HB2      CYS   3   5.296   1.634  -2.538
   22    HB3  CYS   3           HB1      CYS   3   5.647   1.495  -0.817
   23    H    GLN   4           HN       GLN   4   3.642   2.325   0.877
   24    HA   GLN   4           HA       GLN   4   2.021   4.580   0.185
   25    HB2  GLN   4           HB2      GLN   4   3.436   5.254   2.489
   26    HB3  GLN   4           HB1      GLN   4   1.843   4.508   2.436
   27    HG2  GLN   4           HG2      GLN   4   4.429   2.935   2.381
   28    HG3  GLN   4           HG1      GLN   4   3.546   3.297   3.860
   29   HE21  GLN   4          HE21      GLN   4   3.937   0.885   1.609
   30   HE22  GLN   4          HE22      GLN   4   2.426   0.126   1.750
   31    HA   PRO   5           HA       PRO   5   5.072   7.326  -1.379
   32    HB2  PRO   5           HB2      PRO   5   4.543   9.680  -0.036
   33    HB3  PRO   5           HB1      PRO   5   3.581   9.076  -1.398
   34    HG2  PRO   5           HG2      PRO   5   3.037   8.917   1.523
   35    HG3  PRO   5           HG1      PRO   5   1.919   9.203   0.177
   36    HD2  PRO   5           HD2      PRO   5   2.122   6.784   1.403
   37    HD3  PRO   5           HD1      PRO   5   1.722   6.937  -0.319
   38    H    GLY   6           HN       GLY   6   7.196   7.788  -0.953
   39    HA2  GLY   6           HA2      GLY   6   9.070   8.401   0.336
   40    HA3  GLY   6           HA1      GLY   6   8.086   8.268   1.792
   41    H    TYR   7           HN       TYR   7   7.226   5.616   0.238
   42    HA   TYR   7           HA       TYR   7   9.373   3.958   1.416
   43    HB2  TYR   7           HB2      TYR   7   6.407   3.492   1.134
   44    HB3  TYR   7           HB1      TYR   7   7.529   2.171   1.430
   45    HD1  TYR   7           HD1      TYR   7   6.685   5.593   2.725
   46    HD2  TYR   7           HD2      TYR   7   8.068   1.634   3.638
   47    HE1  TYR   7           HE1      TYR   7   6.726   6.160   5.139
   48    HE2  TYR   7           HE2      TYR   7   8.121   2.199   6.045
   49    HH   TYR   7           HH       TYR   7   6.543   4.552   7.408
   50    H    ALA   8           HN       ALA   8  10.227   2.281   0.225
   51    HA   ALA   8           HA       ALA   8   9.504   2.248  -2.645
   52    HB1  ALA   8           HB1      ALA   8  11.706   2.938  -2.675
   53    HB2  ALA   8           HB2      ALA   8  11.929   1.190  -2.726
   54    HB3  ALA   8           HB3      ALA   8  12.114   2.058  -1.203
   55    H    TYR   9           HN       TYR   9   8.899   0.373  -3.553
   56    HA   TYR   9           HA       TYR   9   8.196  -1.847  -1.952
   57    HB2  TYR   9           HB2      TYR   9   7.051  -1.353  -4.062
   58    HB3  TYR   9           HB1      TYR   9   8.537  -1.685  -4.954
   59    HD1  TYR   9           HD1      TYR   9   6.044  -3.214  -2.639
   60    HD2  TYR   9           HD2      TYR   9   9.150  -3.911  -5.532
   61    HE1  TYR   9           HE1      TYR   9   5.489  -5.631  -2.657
   62    HE2  TYR   9           HE2      TYR   9   8.588  -6.325  -5.547
   63    HH   TYR   9           HH       TYR   9   6.885  -7.820  -4.990
   64    H    ASN  10           HN       ASN  10   9.276  -3.620  -1.361
   65    HA   ASN  10           HA       ASN  10  11.971  -4.027  -2.481
   66    HB2  ASN  10           HB2      ASN  10  10.930  -4.105   0.242
   67    HB3  ASN  10           HB1      ASN  10  11.873  -5.530  -0.191
   68   HD21  ASN  10          HD21      ASN  10  14.089  -5.317  -0.074
   69   HD22  ASN  10          HD22      ASN  10  14.919  -3.842  -0.026
   70    HA   PRO  11           HA       PRO  11   9.802  -7.736  -3.935
   71    HB2  PRO  11           HB2      PRO  11  11.752  -8.661  -5.616
   72    HB3  PRO  11           HB1      PRO  11  10.608  -7.380  -6.054
   73    HG2  PRO  11           HG2      PRO  11  13.452  -7.189  -5.272
   74    HG3  PRO  11           HG1      PRO  11  12.504  -6.181  -6.378
   75    HD2  PRO  11           HD2      PRO  11  13.189  -5.489  -3.770
   76    HD3  PRO  11           HD1      PRO  11  11.885  -4.738  -4.712
   77    H    VAL  12           HN       VAL  12  13.104  -7.630  -2.728
   78    HA   VAL  12           HA       VAL  12  13.442 -10.401  -2.250
   79    HB   VAL  12           HB       VAL  12  14.695  -7.967  -0.969
   80   HG11  VAL  12          HG11      VAL  12  15.033 -10.903  -0.458
   81   HG12  VAL  12          HG12      VAL  12  15.075  -9.560   0.684
   82   HG13  VAL  12          HG13      VAL  12  16.451  -9.857  -0.378
   83   HG21  VAL  12          HG21      VAL  12  15.175  -8.372  -3.377
   84   HG22  VAL  12          HG22      VAL  12  15.730  -9.998  -2.975
   85   HG23  VAL  12          HG23      VAL  12  16.610  -8.593  -2.375
   86    H    LEU  13           HN       LEU  13  12.305  -7.739  -0.180
   87    HA   LEU  13           HA       LEU  13  11.754  -9.520   2.036
   88    HB2  LEU  13           HB2      LEU  13  10.979  -6.621   1.624
   89    HB3  LEU  13           HB1      LEU  13  10.870  -7.513   3.137
   90    HG   LEU  13           HG       LEU  13  13.431  -6.976   1.598
   91   HD11  LEU  13          HD11      LEU  13  12.059  -5.636   3.899
   92   HD12  LEU  13          HD12      LEU  13  12.963  -4.921   2.564
   93   HD13  LEU  13          HD13      LEU  13  13.822  -5.706   3.889
   94   HD21  LEU  13          HD21      LEU  13  12.743  -8.593   4.029
   95   HD22  LEU  13          HD22      LEU  13  14.286  -7.739   4.000
   96   HD23  LEU  13          HD23      LEU  13  13.914  -8.933   2.755
   97    H    GLY  14           HN       GLY  14  10.041  -8.177  -0.675
   98    HA2  GLY  14           HA2      GLY  14   8.000  -8.876  -1.555
   99    HA3  GLY  14           HA1      GLY  14   7.748  -9.863  -0.118
  100    H    ILE  15           HN       ILE  15   8.651  -6.841   0.907
  101    HA   ILE  15           HA       ILE  15   5.894  -5.797   0.926
  102    HB   ILE  15           HB       ILE  15   6.289  -5.111   3.335
  103   HG12  ILE  15          HG12      ILE  15   7.933  -6.593   4.558
  104   HG13  ILE  15          HG11      ILE  15   8.567  -7.094   2.993
  105   HG21  ILE  15          HG21      ILE  15   5.848  -7.483   4.166
  106   HG22  ILE  15          HG22      ILE  15   6.080  -8.007   2.497
  107   HG23  ILE  15          HG23      ILE  15   4.771  -6.895   2.900
  108   HD11  ILE  15          HD11      ILE  15   8.369  -4.156   3.544
  109   HD12  ILE  15          HD12      ILE  15   9.551  -5.043   2.582
  110   HD13  ILE  15          HD13      ILE  15   9.650  -5.069   4.339
  111    H    CYS  16           HN       CYS  16   5.916  -3.485   1.890
  112    HA   CYS  16           HA       CYS  16   7.890  -1.975   0.358
  113    HB2  CYS  16           HB2      CYS  16   5.551  -0.986   2.014
  114    HB3  CYS  16           HB1      CYS  16   6.475  -0.053   0.837
  115    H    THR  17           HN       THR  17   9.512  -0.757   1.221
  116    HA   THR  17           HA       THR  17   9.671  -0.567   4.172
  117    HB   THR  17           HB       THR  17  12.099  -0.902   4.012
  118    HG1  THR  17           HG1      THR  17  11.474  -0.753   1.338
  119   HG21  THR  17          HG21      THR  17  11.960  -3.198   3.963
  120   HG22  THR  17          HG22      THR  17  11.001  -3.212   2.482
  121   HG23  THR  17          HG23      THR  17  10.238  -2.820   4.024
  122    H    ILE  18           HN       ILE  18  10.845   1.228   4.989
  123    HA   ILE  18           HA       ILE  18  10.387   3.626   3.502
  124    HB   ILE  18           HB       ILE  18  10.335   3.248   6.074
  125   HG12  ILE  18          HG12      ILE  18  11.807   5.675   4.999
  126   HG13  ILE  18          HG11      ILE  18  10.063   5.451   4.876
  127   HG21  ILE  18          HG21      ILE  18  12.360   3.449   7.254
  128   HG22  ILE  18          HG22      ILE  18  13.221   4.090   5.854
  129   HG23  ILE  18          HG23      ILE  18  12.785   2.382   5.916
  130   HD11  ILE  18          HD11      ILE  18  10.926   4.955   7.585
  131   HD12  ILE  18          HD12      ILE  18   9.768   6.145   6.991
  132   HD13  ILE  18          HD13      ILE  18  11.485   6.540   7.055
  133    H    THR  19           HN       THR  19  11.912   5.117   2.724
  134    HA   THR  19           HA       THR  19  14.721   4.374   2.677
  135    HB   THR  19           HB       THR  19  13.740   3.174   0.732
  136    HG1  THR  19           HG1      THR  19  15.797   4.753   0.797
  137   HG21  THR  19          HG21      THR  19  12.664   4.337  -1.039
  138   HG22  THR  19          HG22      THR  19  13.141   5.909  -0.398
  139   HG23  THR  19          HG23      THR  19  11.918   4.951   0.436
  140    H    LEU  20           HN       LEU  20  16.051   6.124   2.357
  141    HA   LEU  20           HA       LEU  20  14.745   8.726   1.862
  142    HB2  LEU  20           HB2      LEU  20  16.812   8.077   3.968
  143    HB3  LEU  20           HB1      LEU  20  16.239   9.700   3.590
  144    HG   LEU  20           HG       LEU  20  14.480   7.404   4.511
  145   HD11  LEU  20          HD11      LEU  20  15.961   8.132   6.311
  146   HD12  LEU  20          HD12      LEU  20  14.329   8.718   6.626
  147   HD13  LEU  20          HD13      LEU  20  15.554   9.819   5.998
  148   HD21  LEU  20          HD21      LEU  20  13.092   9.694   4.993
  149   HD22  LEU  20          HD22      LEU  20  12.921   8.754   3.512
  150   HD23  LEU  20          HD23      LEU  20  13.973  10.168   3.542
  151    H    SER  21           HN       SER  21  15.921  10.216   0.704
  152    HA   SER  21           HA       SER  21  17.809   9.252  -1.145
  153    HB2  SER  21           HB2      SER  21  16.421  11.220  -1.588
  154    HB3  SER  21           HB1      SER  21  17.239  12.101  -0.299
  155    HG   SER  21           HG       SER  21  18.720  10.901  -2.368
  156    H    ARG  22           HN       ARG  22  18.228  11.158   1.826
  157    HA   ARG  22           HA       ARG  22  20.156  11.814   2.930
  158    HB2  ARG  22           HB2      ARG  22  20.634   8.895   2.320
  159    HB3  ARG  22           HB1      ARG  22  21.669   9.837   3.394
  160    HG2  ARG  22           HG2      ARG  22  19.737  10.368   4.817
  161    HG3  ARG  22           HG1      ARG  22  18.679   9.463   3.734
  162    HD2  ARG  22           HD2      ARG  22  19.952   7.408   4.195
  163    HD3  ARG  22           HD1      ARG  22  21.028   8.306   5.260
  164    HE   ARG  22           HE       ARG  22  18.382   8.688   6.144
  165   HH11  ARG  22          HH11      ARG  22  17.633   7.482   7.919
  166   HH12  ARG  22          HH12      ARG  22  18.433   6.011   8.357
  167   HH21  ARG  22          HH21      ARG  22  20.783   6.219   5.818
  168   HH22  ARG  22          HH22      ARG  22  20.217   5.295   7.168
  Start of MODEL    3
    1    H    GLN   1           HN       GLN   1   4.478  -4.476  -5.554
    2    HA   GLN   1           HA       GLN   1   2.025  -4.756  -5.048
    3    HB2  GLN   1           HB2      GLN   1   3.021  -4.729  -2.194
    4    HB3  GLN   1           HB1      GLN   1   1.369  -4.991  -2.755
    5    HG2  GLN   1           HG2      GLN   1   3.741  -6.809  -3.280
    6    HG3  GLN   1           HG1      GLN   1   2.410  -7.134  -2.170
    7   HE21  GLN   1          HE21      GLN   1   0.125  -6.699  -3.476
    8   HE22  GLN   1          HE22      GLN   1   0.046  -7.529  -4.954
    9    H    TRP   2           HN       TRP   2   0.728  -3.025  -3.829
   10    HA   TRP   2           HA       TRP   2   1.753  -0.477  -4.542
   11    HB2  TRP   2           HB2      TRP   2  -0.654  -0.978  -4.519
   12    HB3  TRP   2           HB1      TRP   2  -0.598  -1.179  -2.767
   13    HD1  TRP   2           HD1      TRP   2  -0.376   1.477  -5.497
   14    HE1  TRP   2           HE1      TRP   2  -0.659   3.802  -4.419
   15    HE3  TRP   2           HE3      TRP   2  -0.304   0.176  -0.559
   16    HZ2  TRP   2           HZ2      TRP   2  -0.832   4.957  -1.807
   17    HZ3  TRP   2           HZ3      TRP   2  -0.528   1.908   1.200
   18    HH2  TRP   2           HH2      TRP   2  -0.789   4.293   0.584
   19    H    CYS   3           HN       CYS   3   2.849   1.010  -3.412
   20    HA   CYS   3           HA       CYS   3   3.324   0.498  -0.532
   21    HB2  CYS   3           HB2      CYS   3   5.185   1.753  -2.565
   22    HB3  CYS   3           HB1      CYS   3   5.513   1.610  -0.839
   23    H    GLN   4           HN       GLN   4   3.440   2.297   0.835
   24    HA   GLN   4           HA       GLN   4   1.712   4.472   0.151
   25    HB2  GLN   4           HB2      GLN   4   3.045   5.180   2.494
   26    HB3  GLN   4           HB1      GLN   4   1.496   4.347   2.396
   27    HG2  GLN   4           HG2      GLN   4   4.168   2.923   2.363
   28    HG3  GLN   4           HG1      GLN   4   3.237   3.205   3.832
   29   HE21  GLN   4          HE21      GLN   4   3.813   0.859   1.556
   30   HE22  GLN   4          HE22      GLN   4   2.344   0.013   1.647
   31    HA   PRO   5           HA       PRO   5   4.620   7.407  -1.328
   32    HB2  PRO   5           HB2      PRO   5   3.956   9.702   0.062
   33    HB3  PRO   5           HB1      PRO   5   3.045   9.080  -1.326
   34    HG2  PRO   5           HG2      PRO   5   2.470   8.827   1.582
   35    HG3  PRO   5           HG1      PRO   5   1.357   9.083   0.227
   36    HD2  PRO   5           HD2      PRO   5   1.668   6.653   1.405
   37    HD3  PRO   5           HD1      PRO   5   1.291   6.820  -0.322
   38    H    GLY   6           HN       GLY   6   6.712   7.950  -0.881
   39    HA2  GLY   6           HA2      GLY   6   8.546   8.641   0.430
   40    HA3  GLY   6           HA1      GLY   6   7.561   8.436   1.877
   41    H    TYR   7           HN       TYR   7   6.848   5.763   0.283
   42    HA   TYR   7           HA       TYR   7   9.071   4.204   1.456
   43    HB2  TYR   7           HB2      TYR   7   6.142   3.569   1.109
   44    HB3  TYR   7           HB1      TYR   7   7.339   2.320   1.428
   45    HD1  TYR   7           HD1      TYR   7   6.256   5.677   2.717
   46    HD2  TYR   7           HD2      TYR   7   7.845   1.798   3.647
   47    HE1  TYR   7           HE1      TYR   7   6.189   6.225   5.136
   48    HE2  TYR   7           HE2      TYR   7   7.791   2.346   6.057
   49    HH   TYR   7           HH       TYR   7   6.152   4.242   7.470
   50    H    ALA   8           HN       ALA   8  10.074   2.654   0.240
   51    HA   ALA   8           HA       ALA   8   9.371   2.597  -2.635
   52    HB1  ALA   8           HB1      ALA   8  11.989   2.402  -1.175
   53    HB2  ALA   8           HB2      ALA   8  11.546   3.449  -2.524
   54    HB3  ALA   8           HB3      ALA   8  11.816   1.728  -2.794
   55    H    TYR   9           HN       TYR   9   8.855   0.708  -3.563
   56    HA   TYR   9           HA       TYR   9   8.263  -1.567  -1.997
   57    HB2  TYR   9           HB2      TYR   9   7.104  -1.106  -4.107
   58    HB3  TYR   9           HB1      TYR   9   8.610  -1.342  -4.996
   59    HD1  TYR   9           HD1      TYR   9   6.225  -3.051  -2.685
   60    HD2  TYR   9           HD2      TYR   9   9.314  -3.515  -5.642
   61    HE1  TYR   9           HE1      TYR   9   5.800  -5.492  -2.748
   62    HE2  TYR   9           HE2      TYR   9   8.882  -5.955  -5.701
   63    HH   TYR   9           HH       TYR   9   7.743  -7.642  -4.825
   64    H    ASN  10           HN       ASN  10   9.439  -3.281  -1.414
   65    HA   ASN  10           HA       ASN  10  12.152  -3.533  -2.534
   66    HB2  ASN  10           HB2      ASN  10  11.121  -3.679   0.191
   67    HB3  ASN  10           HB1      ASN  10  12.145  -5.045  -0.250
   68   HD21  ASN  10          HD21      ASN  10  14.348  -4.706  -0.151
   69   HD22  ASN  10          HD22      ASN  10  15.089  -3.186  -0.096
   70    HA   PRO  11           HA       PRO  11  10.191  -7.355  -3.994
   71    HB2  PRO  11           HB2      PRO  11  12.180  -8.155  -5.695
   72    HB3  PRO  11           HB1      PRO  11  10.959  -6.942  -6.117
   73    HG2  PRO  11           HG2      PRO  11  13.793  -6.585  -5.356
   74    HG3  PRO  11           HG1      PRO  11  12.778  -5.631  -6.450
   75    HD2  PRO  11           HD2      PRO  11  13.440  -4.913  -3.843
   76    HD3  PRO  11           HD1      PRO  11  12.088  -4.234  -4.770
   77    H    VAL  12           HN       VAL  12  13.483  -7.045  -2.800
   78    HA   VAL  12           HA       VAL  12  14.003  -9.791  -2.335
   79    HB   VAL  12           HB       VAL  12  15.094  -7.285  -1.045
   80   HG11  VAL  12          HG11      VAL  12  15.638 -10.195  -0.558
   81   HG12  VAL  12          HG12      VAL  12  15.571  -8.864   0.599
   82   HG13  VAL  12          HG13      VAL  12  16.972  -9.046  -0.456
   83   HG21  VAL  12          HG21      VAL  12  17.077  -7.858  -2.438
   84   HG22  VAL  12          HG22      VAL  12  15.641  -7.572  -3.421
   85   HG23  VAL  12          HG23      VAL  12  16.183  -9.221  -3.113
   86    H    LEU  13           HN       LEU  13  12.696  -7.217  -0.256
   87    HA   LEU  13           HA       LEU  13  12.255  -9.045   1.950
   88    HB2  LEU  13           HB2      LEU  13  11.320  -6.191   1.566
   89    HB3  LEU  13           HB1      LEU  13  11.268  -7.102   3.070
   90    HG   LEU  13           HG       LEU  13  13.787  -6.405   1.526
   91   HD11  LEU  13          HD11      LEU  13  13.985  -5.228   3.989
   92   HD12  LEU  13          HD12      LEU  13  12.258  -5.062   3.667
   93   HD13  LEU  13          HD13      LEU  13  13.435  -4.397   2.534
   94   HD21  LEU  13          HD21      LEU  13  14.701  -7.140   3.911
   95   HD22  LEU  13          HD22      LEU  13  14.378  -8.347   2.667
   96   HD23  LEU  13          HD23      LEU  13  13.204  -8.073   3.954
   97    H    GLY  14           HN       GLY  14  10.471  -7.780  -0.751
   98    HA2  GLY  14           HA2      GLY  14   8.473  -8.587  -1.638
   99    HA3  GLY  14           HA1      GLY  14   8.276  -9.595  -0.209
  100    H    ILE  15           HN       ILE  15   9.003  -6.534   0.838
  101    HA   ILE  15           HA       ILE  15   6.190  -5.654   0.865
  102    HB   ILE  15           HB       ILE  15   6.549  -4.961   3.278
  103   HG12  ILE  15          HG12      ILE  15   8.282  -6.354   4.485
  104   HG13  ILE  15          HG11      ILE  15   8.941  -6.801   2.915
  105   HG21  ILE  15          HG21      ILE  15   6.558  -7.881   2.479
  106   HG22  ILE  15          HG22      ILE  15   5.152  -6.852   2.759
  107   HG23  ILE  15          HG23      ILE  15   6.189  -7.314   4.108
  108   HD11  ILE  15          HD11      ILE  15   9.901  -4.724   4.280
  109   HD12  ILE  15          HD12      ILE  15   8.569  -3.886   3.490
  110   HD13  ILE  15          HD13      ILE  15   9.802  -4.692   2.523
  111    H    CYS  16           HN       CYS  16   6.074  -3.348   1.837
  112    HA   CYS  16           HA       CYS  16   7.968  -1.716   0.324
  113    HB2  CYS  16           HB2      CYS  16   5.563  -0.868   1.962
  114    HB3  CYS  16           HB1      CYS  16   6.439   0.115   0.790
  115    H    THR  17           HN       THR  17   9.494  -0.381   1.222
  116    HA   THR  17           HA       THR  17   9.609  -0.234   4.178
  117    HB   THR  17           HB       THR  17  12.055  -0.401   4.044
  118    HG1  THR  17           HG1      THR  17  11.531  -0.009   1.447
  119   HG21  THR  17          HG21      THR  17  10.350  -2.439   4.025
  120   HG22  THR  17          HG22      THR  17  12.090  -2.707   3.910
  121   HG23  THR  17          HG23      THR  17  11.094  -2.741   2.455
  122    H    ILE  18           HN       ILE  18  10.659   1.622   5.039
  123    HA   ILE  18           HA       ILE  18  10.084   4.010   3.550
  124    HB   ILE  18           HB       ILE  18   9.916   3.586   6.120
  125   HG12  ILE  18          HG12      ILE  18  11.230   6.141   5.139
  126   HG13  ILE  18          HG11      ILE  18   9.519   5.772   4.922
  127   HG21  ILE  18          HG21      ILE  18  12.726   4.673   6.054
  128   HG22  ILE  18          HG22      ILE  18  12.436   2.934   6.085
  129   HG23  ILE  18          HG23      ILE  18  11.854   3.948   7.406
  130   HD11  ILE  18          HD11      ILE  18  10.995   6.085   7.547
  131   HD12  ILE  18          HD12      ILE  18   9.344   5.479   7.418
  132   HD13  ILE  18          HD13      ILE  18   9.722   7.125   6.909
  133    H    THR  19           HN       THR  19  11.516   5.524   2.743
  134    HA   THR  19           HA       THR  19  14.385   4.969   2.910
  135    HB   THR  19           HB       THR  19  13.582   3.746   0.913
  136    HG1  THR  19           HG1      THR  19  14.871   5.333  -0.572
  137   HG21  THR  19          HG21      THR  19  13.030   6.226  -0.580
  138   HG22  THR  19          HG22      THR  19  11.824   5.827   0.645
  139   HG23  THR  19          HG23      THR  19  12.201   4.671  -0.634
  140    H    LEU  20           HN       LEU  20  15.668   6.782   2.636
  141    HA   LEU  20           HA       LEU  20  14.356   9.307   1.914
  142    HB2  LEU  20           HB2      LEU  20  14.922   8.585   4.582
  143    HB3  LEU  20           HB1      LEU  20  16.174   9.735   4.123
  144    HG   LEU  20           HG       LEU  20  14.267  10.944   5.046
  145   HD11  LEU  20          HD11      LEU  20  15.478  11.451   2.601
  146   HD12  LEU  20          HD12      LEU  20  14.504  12.594   3.526
  147   HD13  LEU  20          HD13      LEU  20  13.759  11.630   2.250
  148   HD21  LEU  20          HD21      LEU  20  12.091  10.512   4.531
  149   HD22  LEU  20          HD22      LEU  20  12.714   8.965   3.966
  150   HD23  LEU  20          HD23      LEU  20  12.437  10.276   2.820
  151    H    SER  21           HN       SER  21  17.508   8.399   3.310
  152    HA   SER  21           HA       SER  21  18.984  10.116   1.608
  153    HB2  SER  21           HB2      SER  21  20.952   9.008   2.518
  154    HB3  SER  21           HB1      SER  21  19.794   9.311   3.809
  155    HG   SER  21           HG       SER  21  20.845   7.010   3.088
  156    H    ARG  22           HN       ARG  22  17.759   6.907   1.210
  157    HA   ARG  22           HA       ARG  22  18.821   6.836  -1.508
  158    HB2  ARG  22           HB2      ARG  22  20.558   5.713  -0.148
  159    HB3  ARG  22           HB1      ARG  22  19.341   4.592   0.461
  160    HG2  ARG  22           HG2      ARG  22  18.913   3.778  -1.813
  161    HG3  ARG  22           HG1      ARG  22  20.068   4.941  -2.463
  162    HD2  ARG  22           HD2      ARG  22  21.876   3.883  -1.174
  163    HD3  ARG  22           HD1      ARG  22  20.727   2.734  -0.492
  164    HE   ARG  22           HE       ARG  22  20.568   2.578  -3.298
  165   HH11  ARG  22          HH11      ARG  22  21.642   0.887  -4.371
  166   HH12  ARG  22          HH12      ARG  22  22.950   0.066  -3.589
  167   HH21  ARG  22          HH21      ARG  22  22.761   1.965  -0.693
  168   HH22  ARG  22          HH22      ARG  22  23.584   0.675  -1.506
  Start of MODEL    4
    1    H    GLN   1           HN       GLN   1   1.919  -4.760  -4.883
    2    HA   GLN   1           HA       GLN   1  -0.564  -4.519  -3.288
    3    HB2  GLN   1           HB2      GLN   1   2.215  -4.477  -2.129
    4    HB3  GLN   1           HB1      GLN   1   0.687  -4.821  -1.317
    5    HG2  GLN   1           HG2      GLN   1   0.461  -6.894  -2.672
    6    HG3  GLN   1           HG1      GLN   1   2.030  -6.563  -3.406
    7   HE21  GLN   1          HE21      GLN   1   0.458  -7.324  -0.285
    8   HE22  GLN   1          HE22      GLN   1   1.867  -7.915   0.456
    9    H    TRP   2           HN       TRP   2  -1.207  -2.543  -2.662
   10    HA   TRP   2           HA       TRP   2   0.010  -0.216  -3.746
   11    HB2  TRP   2           HB2      TRP   2  -2.397  -0.341  -3.290
   12    HB3  TRP   2           HB1      TRP   2  -2.070  -0.490  -1.563
   13    HD1  TRP   2           HD1      TRP   2  -1.892   2.016  -4.445
   14    HE1  TRP   2           HE1      TRP   2  -1.706   4.391  -3.461
   15    HE3  TRP   2           HE3      TRP   2  -1.334   0.878   0.501
   16    HZ2  TRP   2           HZ2      TRP   2  -1.368   5.643  -0.910
   17    HZ3  TRP   2           HZ3      TRP   2  -1.083   2.678   2.185
   18    HH2  TRP   2           HH2      TRP   2  -1.099   5.058   1.487
   19    H    CYS   3           HN       CYS   3   1.578   1.038  -2.977
   20    HA   CYS   3           HA       CYS   3   2.369   0.737  -0.143
   21    HB2  CYS   3           HB2      CYS   3   4.134   1.151  -2.570
   22    HB3  CYS   3           HB1      CYS   3   4.716   1.182  -0.899
   23    H    GLN   4           HN       GLN   4   2.306   2.511   1.020
   24    HA   GLN   4           HA       GLN   4   1.257   4.926   0.209
   25    HB2  GLN   4           HB2      GLN   4   2.527   5.805   2.324
   26    HB3  GLN   4           HB1      GLN   4   1.269   4.591   2.526
   27    HG2  GLN   4           HG2      GLN   4   4.117   3.742   2.086
   28    HG3  GLN   4           HG1      GLN   4   3.599   4.261   3.687
   29   HE21  GLN   4          HE21      GLN   4   4.381   1.504   2.805
   30   HE22  GLN   4          HE22      GLN   4   3.034   0.524   3.132
   31    HA   PRO   5           HA       PRO   5   4.497   7.020  -1.922
   32    HB2  PRO   5           HB2      PRO   5   4.190   9.613  -1.024
   33    HB3  PRO   5           HB1      PRO   5   3.160   8.858  -2.256
   34    HG2  PRO   5           HG2      PRO   5   2.651   9.263   0.649
   35    HG3  PRO   5           HG1      PRO   5   1.542   9.413  -0.725
   36    HD2  PRO   5           HD2      PRO   5   1.535   7.239   0.893
   37    HD3  PRO   5           HD1      PRO   5   1.150   7.119  -0.834
   38    H    GLY   6           HN       GLY   6   6.640   7.631  -1.627
   39    HA2  GLY   6           HA2      GLY   6   8.530   8.374  -0.414
   40    HA3  GLY   6           HA1      GLY   6   7.589   8.270   1.073
   41    H    TYR   7           HN       TYR   7   6.738   5.542  -0.350
   42    HA   TYR   7           HA       TYR   7   8.933   3.979   0.866
   43    HB2  TYR   7           HB2      TYR   7   6.004   3.370   0.456
   44    HB3  TYR   7           HB1      TYR   7   7.182   2.134   0.863
   45    HD1  TYR   7           HD1      TYR   7   6.091   5.544   1.987
   46    HD2  TYR   7           HD2      TYR   7   7.596   1.680   3.112
   47    HE1  TYR   7           HE1      TYR   7   5.942   6.178   4.380
   48    HE2  TYR   7           HE2      TYR   7   7.456   2.320   5.502
   49    HH   TYR   7           HH       TYR   7   5.695   4.530   6.707
   50    H    ALA   8           HN       ALA   8   9.837   2.277  -0.290
   51    HA   ALA   8           HA       ALA   8   9.108   2.134  -3.157
   52    HB1  ALA   8           HB1      ALA   8  11.169   3.155  -3.302
   53    HB2  ALA   8           HB2      ALA   8  11.659   1.462  -3.312
   54    HB3  ALA   8           HB3      ALA   8  11.767   2.402  -1.824
   55    H    TYR   9           HN       TYR   9   8.793   0.174  -3.999
   56    HA   TYR   9           HA       TYR   9   8.430  -2.089  -2.381
   57    HB2  TYR   9           HB2      TYR   9   7.307  -1.828  -4.538
   58    HB3  TYR   9           HB1      TYR   9   8.860  -1.947  -5.368
   59    HD1  TYR   9           HD1      TYR   9   6.518  -3.787  -3.129
   60    HD2  TYR   9           HD2      TYR   9   9.851  -4.072  -5.836
   61    HE1  TYR   9           HE1      TYR   9   6.332  -6.259  -3.102
   62    HE2  TYR   9           HE2      TYR   9   9.657  -6.542  -5.806
   63    HH   TYR   9           HH       TYR   9   7.555  -8.218  -5.296
   64    H    ASN  10           HN       ASN  10   9.729  -3.633  -1.675
   65    HA   ASN  10           HA       ASN  10  12.495  -3.695  -2.687
   66    HB2  ASN  10           HB2      ASN  10  11.429  -3.634  -0.011
   67    HB3  ASN  10           HB1      ASN  10  12.396  -5.084  -0.264
   68   HD21  ASN  10          HD21      ASN  10  14.588  -4.813   0.014
   69   HD22  ASN  10          HD22      ASN  10  15.410  -3.339  -0.124
   70    HA   PRO  11           HA       PRO  11  10.923  -7.746  -3.987
   71    HB2  PRO  11           HB2      PRO  11  13.085  -8.501  -5.496
   72    HB3  PRO  11           HB1      PRO  11  11.795  -7.438  -6.083
   73    HG2  PRO  11           HG2      PRO  11  14.534  -6.775  -5.198
   74    HG3  PRO  11           HG1      PRO  11  13.505  -5.989  -6.408
   75    HD2  PRO  11           HD2      PRO  11  13.957  -5.041  -3.831
   76    HD3  PRO  11           HD1      PRO  11  12.606  -4.552  -4.871
   77    H    VAL  12           HN       VAL  12  14.063  -7.099  -2.565
   78    HA   VAL  12           HA       VAL  12  14.774  -9.758  -1.896
   79    HB   VAL  12           HB       VAL  12  15.514  -7.099  -0.660
   80   HG11  VAL  12          HG11      VAL  12  17.473  -8.646   0.201
   81   HG12  VAL  12          HG12      VAL  12  16.262  -9.917   0.046
   82   HG13  VAL  12          HG13      VAL  12  15.966  -8.543   1.109
   83   HG21  VAL  12          HG21      VAL  12  17.064  -9.027  -2.418
   84   HG22  VAL  12          HG22      VAL  12  17.608  -7.442  -1.869
   85   HG23  VAL  12          HG23      VAL  12  16.263  -7.568  -3.002
   86    H    LEU  13           HN       LEU  13  13.047  -7.213  -0.114
   87    HA   LEU  13           HA       LEU  13  12.522  -8.986   2.130
   88    HB2  LEU  13           HB2      LEU  13  11.499  -6.192   1.557
   89    HB3  LEU  13           HB1      LEU  13  11.342  -7.057   3.083
   90    HG   LEU  13           HG       LEU  13  13.962  -6.295   1.759
   91   HD11  LEU  13          HD11      LEU  13  12.215  -4.997   3.785
   92   HD12  LEU  13          HD12      LEU  13  13.329  -4.271   2.626
   93   HD13  LEU  13          HD13      LEU  13  13.947  -4.986   4.115
   94   HD21  LEU  13          HD21      LEU  13  13.224  -7.913   4.175
   95   HD22  LEU  13          HD22      LEU  13  14.672  -6.908   4.248
   96   HD23  LEU  13          HD23      LEU  13  14.532  -8.163   3.019
   97    H    GLY  14           HN       GLY  14  10.974  -7.950  -0.790
   98    HA2  GLY  14           HA2      GLY  14   9.108  -8.884  -1.824
   99    HA3  GLY  14           HA1      GLY  14   8.794  -9.814  -0.363
  100    H    ILE  15           HN       ILE  15   9.307  -6.723   0.632
  101    HA   ILE  15           HA       ILE  15   6.519  -5.866   0.239
  102    HB   ILE  15           HB       ILE  15   6.483  -5.160   2.669
  103   HG12  ILE  15          HG12      ILE  15   8.027  -6.531   4.146
  104   HG13  ILE  15          HG11      ILE  15   8.941  -6.949   2.701
  105   HG21  ILE  15          HG21      ILE  15   6.674  -8.091   1.936
  106   HG22  ILE  15          HG22      ILE  15   5.225  -7.087   1.939
  107   HG23  ILE  15          HG23      ILE  15   6.015  -7.498   3.461
  108   HD11  ILE  15          HD11      ILE  15   8.415  -4.047   3.189
  109   HD12  ILE  15          HD12      ILE  15   9.826  -4.834   2.486
  110   HD13  ILE  15          HD13      ILE  15   9.589  -4.847   4.230
  111    H    CYS  16           HN       CYS  16   6.242  -3.542   1.085
  112    HA   CYS  16           HA       CYS  16   8.401  -1.967  -0.073
  113    HB2  CYS  16           HB2      CYS  16   5.631  -1.244   0.893
  114    HB3  CYS  16           HB1      CYS  16   6.790  -0.060   0.301
  115    H    THR  17           HN       THR  17   9.656  -0.508   0.975
  116    HA   THR  17           HA       THR  17   9.338  -0.280   3.904
  117    HB   THR  17           HB       THR  17  11.780  -0.371   4.136
  118    HG1  THR  17           HG1      THR  17  11.682   0.053   1.539
  119   HG21  THR  17          HG21      THR  17  10.093  -2.490   3.706
  120   HG22  THR  17          HG22      THR  17  11.767  -2.637   4.241
  121   HG23  THR  17          HG23      THR  17  11.370  -2.804   2.530
  122    H    ILE  18           HN       ILE  18  10.255   1.667   4.814
  123    HA   ILE  18           HA       ILE  18   9.729   3.964   3.198
  124    HB   ILE  18           HB       ILE  18   9.463   3.698   5.758
  125   HG12  ILE  18          HG12      ILE  18  10.917   6.169   4.770
  126   HG13  ILE  18          HG11      ILE  18   9.219   5.843   4.431
  127   HG21  ILE  18          HG21      ILE  18  11.945   2.958   5.895
  128   HG22  ILE  18          HG22      ILE  18  11.348   4.074   7.123
  129   HG23  ILE  18          HG23      ILE  18  12.315   4.679   5.776
  130   HD11  ILE  18          HD11      ILE  18  10.456   6.103   7.186
  131   HD12  ILE  18          HD12      ILE  18   8.763   5.730   6.862
  132   HD13  ILE  18          HD13      ILE  18   9.425   7.296   6.397
  133    H    THR  19           HN       THR  19  11.203   5.619   2.594
  134    HA   THR  19           HA       THR  19  14.026   4.749   2.418
  135    HB   THR  19           HB       THR  19  14.135   5.809   0.206
  136    HG1  THR  19           HG1      THR  19  11.349   6.003   0.166
  137   HG21  THR  19          HG21      THR  19  11.769   4.138  -0.239
  138   HG22  THR  19          HG22      THR  19  12.951   3.392   0.837
  139   HG23  THR  19          HG23      THR  19  13.430   3.900  -0.783
  140    H    LEU  20           HN       LEU  20  15.591   6.415   2.459
  141    HA   LEU  20           HA       LEU  20  14.625   9.089   3.230
  142    HB2  LEU  20           HB2      LEU  20  15.815   7.187   4.995
  143    HB3  LEU  20           HB1      LEU  20  16.981   8.479   4.732
  144    HG   LEU  20           HG       LEU  20  15.531   9.003   6.644
  145   HD11  LEU  20          HD11      LEU  20  16.037  10.654   4.426
  146   HD12  LEU  20          HD12      LEU  20  15.633  11.171   6.064
  147   HD13  LEU  20          HD13      LEU  20  14.357  10.964   4.865
  148   HD21  LEU  20          HD21      LEU  20  13.265   8.785   6.622
  149   HD22  LEU  20          HD22      LEU  20  13.555   7.738   5.234
  150   HD23  LEU  20          HD23      LEU  20  13.122   9.429   4.986
  151    H    SER  21           HN       SER  21  17.120   7.027   1.917
  152    HA   SER  21           HA       SER  21  18.691   7.512   0.286
  153    HB2  SER  21           HB2      SER  21  18.550   9.460  -0.918
  154    HB3  SER  21           HB1      SER  21  16.972   9.514  -0.138
  155    HG   SER  21           HG       SER  21  19.293  10.981   0.368
  156    H    ARG  22           HN       ARG  22  20.877   8.375   0.213
  157    HA   ARG  22           HA       ARG  22  22.132   8.386   2.748
  158    HB2  ARG  22           HB2      ARG  22  24.170   9.082   1.444
  159    HB3  ARG  22           HB1      ARG  22  23.370   7.637   0.826
  160    HG2  ARG  22           HG2      ARG  22  22.192   9.010  -0.858
  161    HG3  ARG  22           HG1      ARG  22  23.010  10.449  -0.250
  162    HD2  ARG  22           HD2      ARG  22  24.416   8.011  -1.371
  163    HD3  ARG  22           HD1      ARG  22  24.125   9.497  -2.260
  164    HE   ARG  22           HE       ARG  22  25.661  10.627  -0.810
  165   HH11  ARG  22          HH11      ARG  22  27.637  10.485   0.268
  166   HH12  ARG  22          HH12      ARG  22  28.186   8.960   0.879
  167   HH21  ARG  22          HH21      ARG  22  25.414   7.203  -0.216
  168   HH22  ARG  22          HH22      ARG  22  26.933   7.114   0.604
  Start of MODEL    5
    1    H    GLN   1           HN       GLN   1   1.472  -3.665  -6.509
    2    HA   GLN   1           HA       GLN   1  -0.499  -3.526  -4.301
    3    HB2  GLN   1           HB2      GLN   1   2.514  -3.732  -4.071
    4    HB3  GLN   1           HB1      GLN   1   1.355  -3.743  -2.742
    5    HG2  GLN   1           HG2      GLN   1   1.523  -5.812  -4.953
    6    HG3  GLN   1           HG1      GLN   1   2.076  -6.035  -3.294
    7   HE21  GLN   1          HE21      GLN   1   0.142  -5.312  -1.642
    8   HE22  GLN   1          HE22      GLN   1  -1.357  -6.012  -2.016
    9    H    TRP   2           HN       TRP   2  -0.346  -1.700  -2.883
   10    HA   TRP   2           HA       TRP   2   0.758   0.695  -4.223
   11    HB2  TRP   2           HB2      TRP   2  -1.683   0.722  -3.992
   12    HB3  TRP   2           HB1      TRP   2  -1.525   0.465  -2.255
   13    HD1  TRP   2           HD1      TRP   2  -0.942   3.089  -4.966
   14    HE1  TRP   2           HE1      TRP   2  -0.647   5.390  -3.841
   15    HE3  TRP   2           HE3      TRP   2  -0.817   1.667  -0.062
   16    HZ2  TRP   2           HZ2      TRP   2  -0.394   6.483  -1.209
   17    HZ3  TRP   2           HZ3      TRP   2  -0.549   3.355   1.731
   18    HH2  TRP   2           HH2      TRP   2  -0.336   5.759   1.164
   19    H    CYS   3           HN       CYS   3   2.432   1.630  -3.284
   20    HA   CYS   3           HA       CYS   3   2.875   1.199  -0.390
   21    HB2  CYS   3           HB2      CYS   3   4.899   1.524  -2.622
   22    HB3  CYS   3           HB1      CYS   3   5.316   1.456  -0.903
   23    H    GLN   4           HN       GLN   4   2.837   2.929   0.836
   24    HA   GLN   4           HA       GLN   4   2.100   5.458   0.049
   25    HB2  GLN   4           HB2      GLN   4   3.241   6.143   2.300
   26    HB3  GLN   4           HB1      GLN   4   1.880   5.028   2.341
   27    HG2  GLN   4           HG2      GLN   4   4.685   3.973   2.109
   28    HG3  GLN   4           HG1      GLN   4   4.064   4.465   3.682
   29   HE21  GLN   4          HE21      GLN   4   4.713   1.694   2.735
   30   HE22  GLN   4          HE22      GLN   4   3.272   0.812   2.898
   31    HA   PRO   5           HA       PRO   5   5.697   7.315  -1.700
   32    HB2  PRO   5           HB2      PRO   5   5.534   9.895  -0.735
   33    HB3  PRO   5           HB1      PRO   5   4.559   9.276  -2.080
   34    HG2  PRO   5           HG2      PRO   5   3.826   9.635   0.782
   35    HG3  PRO   5           HG1      PRO   5   2.862   9.927  -0.678
   36    HD2  PRO   5           HD2      PRO   5   2.521   7.714   0.849
   37    HD3  PRO   5           HD1      PRO   5   2.282   7.683  -0.905
   38    H    GLY   6           HN       GLY   6   7.847   7.730  -1.190
   39    HA2  GLY   6           HA2      GLY   6   9.672   8.260   0.219
   40    HA3  GLY   6           HA1      GLY   6   8.589   8.187   1.610
   41    H    TYR   7           HN       TYR   7   7.649   5.597  -0.002
   42    HA   TYR   7           HA       TYR   7   9.585   3.804   1.329
   43    HB2  TYR   7           HB2      TYR   7   6.657   3.479   0.664
   44    HB3  TYR   7           HB1      TYR   7   7.684   2.125   1.105
   45    HD1  TYR   7           HD1      TYR   7   6.784   5.567   2.294
   46    HD2  TYR   7           HD2      TYR   7   7.902   1.559   3.358
   47    HE1  TYR   7           HE1      TYR   7   6.501   6.124   4.694
   48    HE2  TYR   7           HE2      TYR   7   7.628   2.119   5.756
   49    HH   TYR   7           HH       TYR   7   7.751   4.414   7.136
   50    H    ALA   8           HN       ALA   8  10.404   2.039   0.183
   51    HA   ALA   8           HA       ALA   8   9.911   2.068  -2.736
   52    HB1  ALA   8           HB1      ALA   8  12.132   3.051  -2.020
   53    HB2  ALA   8           HB2      ALA   8  12.233   1.700  -3.150
   54    HB3  ALA   8           HB3      ALA   8  12.563   1.444  -1.436
   55    H    TYR   9           HN       TYR   9   9.538   0.170  -3.690
   56    HA   TYR   9           HA       TYR   9   8.852  -2.111  -2.206
   57    HB2  TYR   9           HB2      TYR   9   7.958  -1.690  -4.443
   58    HB3  TYR   9           HB1      TYR   9   9.566  -1.905  -5.135
   59    HD1  TYR   9           HD1      TYR   9   6.885  -3.622  -3.201
   60    HD2  TYR   9           HD2      TYR   9  10.441  -4.088  -5.579
   61    HE1  TYR   9           HE1      TYR   9   6.513  -6.071  -3.284
   62    HE2  TYR   9           HE2      TYR   9  10.059  -6.536  -5.659
   63    HH   TYR   9           HH       TYR   9   7.175  -7.979  -4.879
   64    H    ASN  10           HN       ASN  10   9.954  -3.791  -1.464
   65    HA   ASN  10           HA       ASN  10  12.790  -4.036  -2.226
   66    HB2  ASN  10           HB2      ASN  10  11.499  -3.979   0.344
   67    HB3  ASN  10           HB1      ASN  10  12.340  -5.510   0.114
   68   HD21  ASN  10          HD21      ASN  10  14.517  -5.469   0.590
   69   HD22  ASN  10          HD22      ASN  10  15.483  -4.079   0.598
   70    HA   PRO  11           HA       PRO  11  11.036  -7.887  -3.855
   71    HB2  PRO  11           HB2      PRO  11  13.274  -8.768  -5.177
   72    HB3  PRO  11           HB1      PRO  11  12.137  -7.581  -5.839
   73    HG2  PRO  11           HG2      PRO  11  14.817  -7.180  -4.664
   74    HG3  PRO  11           HG1      PRO  11  13.978  -6.267  -5.931
   75    HD2  PRO  11           HD2      PRO  11  14.246  -5.455  -3.285
   76    HD3  PRO  11           HD1      PRO  11  13.045  -4.819  -4.426
   77    H    VAL  12           HN       VAL  12  14.058  -7.571  -2.104
   78    HA   VAL  12           HA       VAL  12  14.471 -10.307  -1.495
   79    HB   VAL  12           HB       VAL  12  15.305  -7.774  -0.070
   80   HG11  VAL  12          HG11      VAL  12  15.487  -9.288   1.675
   81   HG12  VAL  12          HG12      VAL  12  17.035  -9.559   0.875
   82   HG13  VAL  12          HG13      VAL  12  15.693 -10.667   0.595
   83   HG21  VAL  12          HG21      VAL  12  16.158  -8.893  -2.453
   84   HG22  VAL  12          HG22      VAL  12  17.308  -9.545  -1.286
   85   HG23  VAL  12          HG23      VAL  12  17.109  -7.801  -1.445
   86    H    LEU  13           HN       LEU  13  12.791  -7.690   0.225
   87    HA   LEU  13           HA       LEU  13  11.894  -9.497   2.320
   88    HB2  LEU  13           HB2      LEU  13  11.185  -6.598   1.795
   89    HB3  LEU  13           HB1      LEU  13  10.806  -7.506   3.256
   90    HG   LEU  13           HG       LEU  13  13.598  -6.936   2.217
   91   HD11  LEU  13          HD11      LEU  13  12.974  -4.894   3.103
   92   HD12  LEU  13          HD12      LEU  13  13.533  -5.696   4.572
   93   HD13  LEU  13          HD13      LEU  13  11.809  -5.613   4.214
   94   HD21  LEU  13          HD21      LEU  13  14.010  -7.716   4.726
   95   HD22  LEU  13          HD22      LEU  13  13.877  -8.902   3.426
   96   HD23  LEU  13          HD23      LEU  13  12.493  -8.579   4.470
   97    H    GLY  14           HN       GLY  14  10.739  -8.195  -0.674
   98    HA2  GLY  14           HA2      GLY  14   8.904  -8.904  -1.924
   99    HA3  GLY  14           HA1      GLY  14   8.371  -9.865  -0.549
  100    H    ILE  15           HN       ILE  15   9.062  -6.883   0.649
  101    HA   ILE  15           HA       ILE  15   6.405  -5.756   0.059
  102    HB   ILE  15           HB       ILE  15   6.221  -5.141   2.506
  103   HG12  ILE  15          HG12      ILE  15   7.509  -6.703   4.042
  104   HG13  ILE  15          HG11      ILE  15   8.507  -7.139   2.661
  105   HG21  ILE  15          HG21      ILE  15   5.460  -7.434   3.153
  106   HG22  ILE  15          HG22      ILE  15   6.233  -8.061   1.696
  107   HG23  ILE  15          HG23      ILE  15   4.883  -6.933   1.563
  108   HD11  ILE  15          HD11      ILE  15   9.580  -5.101   2.622
  109   HD12  ILE  15          HD12      ILE  15   9.188  -5.162   4.336
  110   HD13  ILE  15          HD13      ILE  15   8.182  -4.223   3.239
  111    H    CYS  16           HN       CYS  16   6.264  -3.450   0.995
  112    HA   CYS  16           HA       CYS  16   8.648  -2.038   0.092
  113    HB2  CYS  16           HB2      CYS  16   5.882  -1.091   0.856
  114    HB3  CYS  16           HB1      CYS  16   7.191  -0.007   0.403
  115    H    THR  17           HN       THR  17   9.932  -0.749   1.301
  116    HA   THR  17           HA       THR  17   9.382  -0.592   4.202
  117    HB   THR  17           HB       THR  17  11.778  -0.916   4.630
  118    HG1  THR  17           HG1      THR  17  12.808  -1.877   2.567
  119   HG21  THR  17          HG21      THR  17  11.534  -3.169   4.661
  120   HG22  THR  17          HG22      THR  17  11.301  -3.256   2.915
  121   HG23  THR  17          HG23      THR  17   9.944  -2.855   3.967
  122    H    ILE  18           HN       ILE  18  10.382   1.228   5.265
  123    HA   ILE  18           HA       ILE  18  10.167   3.623   3.750
  124    HB   ILE  18           HB       ILE  18   9.812   3.235   6.301
  125   HG12  ILE  18          HG12      ILE  18  11.411   5.669   5.443
  126   HG13  ILE  18          HG11      ILE  18   9.704   5.449   5.063
  127   HG21  ILE  18          HG21      ILE  18  12.705   4.078   6.412
  128   HG22  ILE  18          HG22      ILE  18  12.264   2.369   6.422
  129   HG23  ILE  18          HG23      ILE  18  11.691   3.436   7.706
  130   HD11  ILE  18          HD11      ILE  18  10.197   4.938   7.872
  131   HD12  ILE  18          HD12      ILE  18   9.086   6.087   7.126
  132   HD13  ILE  18          HD13      ILE  18  10.763   6.546   7.418
  133    H    THR  19           HN       THR  19  11.773   5.129   3.194
  134    HA   THR  19           HA       THR  19  14.545   4.112   3.211
  135    HB   THR  19           HB       THR  19  14.848   4.999   0.943
  136    HG1  THR  19           HG1      THR  19  13.360   6.175   0.041
  137   HG21  THR  19          HG21      THR  19  13.474   2.696   1.665
  138   HG22  THR  19          HG22      THR  19  14.147   3.040   0.072
  139   HG23  THR  19          HG23      THR  19  12.456   3.409   0.415
  140    H    LEU  20           HN       LEU  20  16.166   5.747   3.141
  141    HA   LEU  20           HA       LEU  20  15.219   8.400   4.050
  142    HB2  LEU  20           HB2      LEU  20  16.294   7.140   5.855
  143    HB3  LEU  20           HB1      LEU  20  17.718   6.888   4.849
  144    HG   LEU  20           HG       LEU  20  18.094   9.335   4.763
  145   HD11  LEU  20          HD11      LEU  20  15.482   9.309   6.226
  146   HD12  LEU  20          HD12      LEU  20  16.060  10.424   4.988
  147   HD13  LEU  20          HD13      LEU  20  16.656  10.557   6.643
  148   HD21  LEU  20          HD21      LEU  20  18.477   9.624   7.301
  149   HD22  LEU  20          HD22      LEU  20  19.283   8.269   6.511
  150   HD23  LEU  20          HD23      LEU  20  17.818   7.996   7.454
  151    H    SER  21           HN       SER  21  15.725  10.032   2.747
  152    HA   SER  21           HA       SER  21  16.682  11.234   1.038
  153    HB2  SER  21           HB2      SER  21  19.155   9.755   1.964
  154    HB3  SER  21           HB1      SER  21  19.144  11.183   0.932
  155    HG   SER  21           HG       SER  21  18.299  12.365   2.605
  156    H    ARG  22           HN       ARG  22  15.398   8.835   0.282
  157    HA   ARG  22           HA       ARG  22  15.214   7.351  -1.466
  158    HB2  ARG  22           HB2      ARG  22  15.298   9.466  -2.729
  159    HB3  ARG  22           HB1      ARG  22  17.058   9.355  -2.790
  160    HG2  ARG  22           HG2      ARG  22  16.939   7.295  -4.070
  161    HG3  ARG  22           HG1      ARG  22  15.184   7.243  -3.896
  162    HD2  ARG  22           HD2      ARG  22  16.686   9.489  -5.263
  163    HD3  ARG  22           HD1      ARG  22  15.949   8.135  -6.115
  164    HE   ARG  22           HE       ARG  22  13.974   9.271  -4.493
  165   HH11  ARG  22          HH11      ARG  22  12.489  10.742  -5.384
  166   HH12  ARG  22          HH12      ARG  22  12.886  11.590  -6.840
  167   HH21  ARG  22          HH21      ARG  22  16.005  10.109  -7.166
  168   HH22  ARG  22          HH22      ARG  22  14.877  11.233  -7.849
  Start of MODEL    6
    1    H    GLN   1           HN       GLN   1   0.110  -4.774  -6.028
    2    HA   GLN   1           HA       GLN   1  -0.944  -3.661  -3.823
    3    HB2  GLN   1           HB2      GLN   1   2.041  -3.913  -4.274
    4    HB3  GLN   1           HB1      GLN   1   1.233  -3.847  -2.709
    5    HG2  GLN   1           HG2      GLN   1   0.820  -5.989  -4.817
    6    HG3  GLN   1           HG1      GLN   1   1.761  -6.174  -3.339
    7   HE21  GLN   1          HE21      GLN   1  -1.207  -6.930  -4.588
    8   HE22  GLN   1          HE22      GLN   1  -2.125  -6.936  -3.159
    9    H    TRP   2           HN       TRP   2  -0.556  -1.830  -2.491
   10    HA   TRP   2           HA       TRP   2   0.422   0.541  -3.971
   11    HB2  TRP   2           HB2      TRP   2  -2.005   0.616  -3.614
   12    HB3  TRP   2           HB1      TRP   2  -1.758   0.379  -1.884
   13    HD1  TRP   2           HD1      TRP   2  -1.278   2.955  -4.659
   14    HE1  TRP   2           HE1      TRP   2  -0.885   5.266  -3.585
   15    HE3  TRP   2           HE3      TRP   2  -0.912   1.596   0.250
   16    HZ2  TRP   2           HZ2      TRP   2  -0.471   6.389  -0.987
   17    HZ3  TRP   2           HZ3      TRP   2  -0.518   3.304   2.001
   18    HH2  TRP   2           HH2      TRP   2  -0.297   5.696   1.390
   19    H    CYS   3           HN       CYS   3   2.162   1.453  -3.139
   20    HA   CYS   3           HA       CYS   3   2.746   1.063  -0.266
   21    HB2  CYS   3           HB2      CYS   3   4.659   1.303  -2.602
   22    HB3  CYS   3           HB1      CYS   3   5.164   1.251  -0.908
   23    H    GLN   4           HN       GLN   4   2.791   2.818   0.925
   24    HA   GLN   4           HA       GLN   4   2.070   5.345   0.129
   25    HB2  GLN   4           HB2      GLN   4   3.359   6.049   2.299
   26    HB3  GLN   4           HB1      GLN   4   1.971   4.975   2.438
   27    HG2  GLN   4           HG2      GLN   4   4.727   3.833   2.075
   28    HG3  GLN   4           HG1      GLN   4   4.207   4.372   3.670
   29   HE21  GLN   4          HE21      GLN   4   4.725   1.566   2.752
   30   HE22  GLN   4          HE22      GLN   4   3.272   0.730   3.009
   31    HA   PRO   5           HA       PRO   5   5.598   7.096  -1.854
   32    HB2  PRO   5           HB2      PRO   5   5.540   9.697  -0.934
   33    HB3  PRO   5           HB1      PRO   5   4.477   9.070  -2.208
   34    HG2  PRO   5           HG2      PRO   5   3.917   9.499   0.685
   35    HG3  PRO   5           HG1      PRO   5   2.879   9.785  -0.722
   36    HD2  PRO   5           HD2      PRO   5   2.580   7.607   0.861
   37    HD3  PRO   5           HD1      PRO   5   2.242   7.549  -0.875
   38    H    GLY   6           HN       GLY   6   7.783   7.466  -1.472
   39    HA2  GLY   6           HA2      GLY   6   9.695   7.987  -0.184
   40    HA3  GLY   6           HA1      GLY   6   8.693   7.977   1.267
   41    H    TYR   7           HN       TYR   7   7.608   5.367  -0.221
   42    HA   TYR   7           HA       TYR   7   9.571   3.565   1.056
   43    HB2  TYR   7           HB2      TYR   7   6.610   3.285   0.538
   44    HB3  TYR   7           HB1      TYR   7   7.630   1.921   0.962
   45    HD1  TYR   7           HD1      TYR   7   6.868   5.410   2.107
   46    HD2  TYR   7           HD2      TYR   7   7.935   1.400   3.216
   47    HE1  TYR   7           HE1      TYR   7   6.708   6.030   4.504
   48    HE2  TYR   7           HE2      TYR   7   7.786   2.022   5.610
   49    HH   TYR   7           HH       TYR   7   6.254   4.236   6.838
   50    H    ALA   8           HN       ALA   8  10.321   1.775  -0.085
   51    HA   ALA   8           HA       ALA   8   9.692   1.742  -2.979
   52    HB1  ALA   8           HB1      ALA   8  12.374   1.245  -1.667
   53    HB2  ALA   8           HB2      ALA   8  11.924   2.690  -2.574
   54    HB3  ALA   8           HB3      ALA   8  12.033   1.133  -3.396
   55    H    TYR   9           HN       TYR   9   9.224  -0.168  -3.867
   56    HA   TYR   9           HA       TYR   9   8.553  -2.396  -2.301
   57    HB2  TYR   9           HB2      TYR   9   7.565  -2.004  -4.504
   58    HB3  TYR   9           HB1      TYR   9   9.135  -2.273  -5.262
   59    HD1  TYR   9           HD1      TYR   9   6.517  -3.885  -3.160
   60    HD2  TYR   9           HD2      TYR   9   9.933  -4.483  -5.706
   61    HE1  TYR   9           HE1      TYR   9   6.085  -6.326  -3.168
   62    HE2  TYR   9           HE2      TYR   9   9.492  -6.922  -5.713
   63    HH   TYR   9           HH       TYR   9   7.422  -8.420  -5.358
   64    H    ASN  10           HN       ASN  10   9.649  -4.085  -1.568
   65    HA   ASN  10           HA       ASN  10  12.439  -4.419  -2.454
   66    HB2  ASN  10           HB2      ASN  10  11.271  -4.267   0.173
   67    HB3  ASN  10           HB1      ASN  10  12.077  -5.818  -0.056
   68   HD21  ASN  10          HD21      ASN  10  14.271  -5.797   0.328
   69   HD22  ASN  10          HD22      ASN  10  15.260  -4.426   0.243
   70    HA   PRO  11           HA       PRO  11  10.520  -8.270  -3.888
   71    HB2  PRO  11           HB2      PRO  11  12.671  -9.238  -5.293
   72    HB3  PRO  11           HB1      PRO  11  11.528  -8.044  -5.932
   73    HG2  PRO  11           HG2      PRO  11  14.272  -7.670  -4.908
   74    HG3  PRO  11           HG1      PRO  11  13.386  -6.772  -6.153
   75    HD2  PRO  11           HD2      PRO  11  13.808  -5.901  -3.543
   76    HD3  PRO  11           HD1      PRO  11  12.568  -5.264  -4.640
   77    H    VAL  12           HN       VAL  12  13.632  -7.978  -2.299
   78    HA   VAL  12           HA       VAL  12  14.017 -10.704  -1.636
   79    HB   VAL  12           HB       VAL  12  14.974  -8.152  -0.324
   80   HG11  VAL  12          HG11      VAL  12  15.432 -11.050   0.348
   81   HG12  VAL  12          HG12      VAL  12  15.130  -9.695   1.435
   82   HG13  VAL  12          HG13      VAL  12  16.700  -9.862   0.649
   83   HG21  VAL  12          HG21      VAL  12  16.693 -10.145  -1.756
   84   HG22  VAL  12          HG22      VAL  12  16.887  -8.398  -1.617
   85   HG23  VAL  12          HG23      VAL  12  15.683  -9.067  -2.720
   86    H    LEU  13           HN       LEU  13  12.489  -8.005   0.099
   87    HA   LEU  13           HA       LEU  13  11.664  -9.734   2.287
   88    HB2  LEU  13           HB2      LEU  13  10.984  -6.837   1.712
   89    HB3  LEU  13           HB1      LEU  13  10.662  -7.695   3.216
   90    HG   LEU  13           HG       LEU  13  13.408  -7.212   2.021
   91   HD11  LEU  13          HD11      LEU  13  11.796  -5.847   4.163
   92   HD12  LEU  13          HD12      LEU  13  12.752  -5.131   2.865
   93   HD13  LEU  13          HD13      LEU  13  13.557  -5.858   4.254
   94   HD21  LEU  13          HD21      LEU  13  12.389  -8.765   4.378
   95   HD22  LEU  13          HD22      LEU  13  13.934  -7.927   4.529
   96   HD23  LEU  13          HD23      LEU  13  13.711  -9.148   3.276
   97    H    GLY  14           HN       GLY  14  10.382  -8.504  -0.684
   98    HA2  GLY  14           HA2      GLY  14   8.474  -9.215  -1.817
   99    HA3  GLY  14           HA1      GLY  14   7.993 -10.122  -0.387
  100    H    ILE  15           HN       ILE  15   8.799  -7.118   0.678
  101    HA   ILE  15           HA       ILE  15   6.139  -5.955   0.186
  102    HB   ILE  15           HB       ILE  15   6.085  -5.265   2.617
  103   HG12  ILE  15          HG12      ILE  15   7.424  -6.798   4.140
  104   HG13  ILE  15          HG11      ILE  15   8.344  -7.296   2.726
  105   HG21  ILE  15          HG21      ILE  15   6.047  -8.231   2.000
  106   HG22  ILE  15          HG22      ILE  15   4.719  -7.105   1.718
  107   HG23  ILE  15          HG23      ILE  15   5.245  -7.455   3.364
  108   HD11  ILE  15          HD11      ILE  15   9.448  -5.280   2.565
  109   HD12  ILE  15          HD12      ILE  15   9.143  -5.280   4.299
  110   HD13  ILE  15          HD13      ILE  15   8.098  -4.358   3.223
  111    H    CYS  16           HN       CYS  16   6.090  -3.621   1.064
  112    HA   CYS  16           HA       CYS  16   8.453  -2.285   0.000
  113    HB2  CYS  16           HB2      CYS  16   5.746  -1.260   0.874
  114    HB3  CYS  16           HB1      CYS  16   7.052  -0.215   0.329
  115    H    THR  17           HN       THR  17   9.819  -0.985   1.114
  116    HA   THR  17           HA       THR  17   9.418  -0.758   4.035
  117    HB   THR  17           HB       THR  17  11.824  -1.125   4.351
  118    HG1  THR  17           HG1      THR  17  12.863  -0.618   2.572
  119   HG21  THR  17          HG21      THR  17   9.977  -3.033   3.986
  120   HG22  THR  17          HG22      THR  17  11.672  -3.419   4.291
  121   HG23  THR  17          HG23      THR  17  11.045  -3.438   2.642
  122    H    ILE  18           HN       ILE  18  10.511   1.060   5.011
  123    HA   ILE  18           HA       ILE  18  10.276   3.428   3.446
  124    HB   ILE  18           HB       ILE  18   9.996   3.109   6.014
  125   HG12  ILE  18          HG12      ILE  18  11.628   5.482   5.062
  126   HG13  ILE  18          HG11      ILE  18   9.907   5.297   4.727
  127   HG21  ILE  18          HG21      ILE  18  12.426   2.184   6.087
  128   HG22  ILE  18          HG22      ILE  18  11.921   3.296   7.359
  129   HG23  ILE  18          HG23      ILE  18  12.910   3.877   6.019
  130   HD11  ILE  18          HD11      ILE  18  11.178   5.404   7.477
  131   HD12  ILE  18          HD12      ILE  18   9.461   5.153   7.160
  132   HD13  ILE  18          HD13      ILE  18  10.223   6.683   6.724
  133    H    THR  19           HN       THR  19  11.912   4.913   2.859
  134    HA   THR  19           HA       THR  19  14.645   3.790   2.739
  135    HB   THR  19           HB       THR  19  14.885   4.737   0.489
  136    HG1  THR  19           HG1      THR  19  13.188   6.353   0.938
  137   HG21  THR  19          HG21      THR  19  13.442   3.158  -0.691
  138   HG22  THR  19          HG22      THR  19  12.406   3.008   0.729
  139   HG23  THR  19          HG23      THR  19  14.063   2.405   0.779
  140    H    LEU  20           HN       LEU  20  16.334   5.354   2.661
  141    HA   LEU  20           HA       LEU  20  15.539   8.040   3.617
  142    HB2  LEU  20           HB2      LEU  20  16.501   6.709   5.439
  143    HB3  LEU  20           HB1      LEU  20  17.926   6.374   4.458
  144    HG   LEU  20           HG       LEU  20  18.449   8.795   4.389
  145   HD11  LEU  20          HD11      LEU  20  17.070  10.114   6.226
  146   HD12  LEU  20          HD12      LEU  20  15.828   8.920   5.842
  147   HD13  LEU  20          HD13      LEU  20  16.456   9.979   4.578
  148   HD21  LEU  20          HD21      LEU  20  17.958   7.714   7.181
  149   HD22  LEU  20          HD22      LEU  20  19.051   9.037   6.775
  150   HD23  LEU  20          HD23      LEU  20  19.387   7.406   6.195
  151    H    SER  21           HN       SER  21  16.167   9.638   2.326
  152    HA   SER  21           HA       SER  21  18.712   9.469   0.904
  153    HB2  SER  21           HB2      SER  21  17.132   8.481  -0.686
  154    HB3  SER  21           HB1      SER  21  16.078   9.882  -0.531
  155    HG   SER  21           HG       SER  21  18.412   9.555  -1.942
  156    H    ARG  22           HN       ARG  22  19.600  11.464   0.444
  157    HA   ARG  22           HA       ARG  22  17.992  13.853   1.053
  158    HB2  ARG  22           HB2      ARG  22  20.465  12.928   2.451
  159    HB3  ARG  22           HB1      ARG  22  20.253  14.659   2.183
  160    HG2  ARG  22           HG2      ARG  22  17.942  13.100   3.273
  161    HG3  ARG  22           HG1      ARG  22  19.274  13.490   4.360
  162    HD2  ARG  22           HD2      ARG  22  19.050  15.876   3.786
  163    HD3  ARG  22           HD1      ARG  22  17.727  15.495   2.689
  164    HE   ARG  22           HE       ARG  22  17.088  14.465   5.228
  165   HH11  ARG  22          HH11      ARG  22  15.668  15.628   6.565
  166   HH12  ARG  22          HH12      ARG  22  15.422  17.321   6.293
  167   HH21  ARG  22          HH21      ARG  22  17.598  17.474   3.597
  168   HH22  ARG  22          HH22      ARG  22  16.516  18.366   4.613
  Start of MODEL    7
    1    H    GLN   1           HN       GLN   1   0.498  -3.276  -6.369
    2    HA   GLN   1           HA       GLN   1   0.021  -4.019  -3.767
    3    HB2  GLN   1           HB2      GLN   1   2.776  -4.684  -4.636
    4    HB3  GLN   1           HB1      GLN   1   2.624  -3.882  -3.072
    5    HG2  GLN   1           HG2      GLN   1   0.974  -6.297  -3.846
    6    HG3  GLN   1           HG1      GLN   1   2.516  -6.421  -3.001
    7   HE21  GLN   1          HE21      GLN   1   2.616  -5.661  -0.772
    8   HE22  GLN   1          HE22      GLN   1   1.205  -5.325   0.110
    9    H    TRP   2           HN       TRP   2  -0.816  -1.982  -3.598
   10    HA   TRP   2           HA       TRP   2   0.557   0.389  -4.365
   11    HB2  TRP   2           HB2      TRP   2  -1.884   0.309  -4.166
   12    HB3  TRP   2           HB1      TRP   2  -1.743   0.005  -2.434
   13    HD1  TRP   2           HD1      TRP   2  -1.217   2.736  -5.056
   14    HE1  TRP   2           HE1      TRP   2  -1.060   5.012  -3.854
   15    HE3  TRP   2           HE3      TRP   2  -1.156   1.166  -0.197
   16    HZ2  TRP   2           HZ2      TRP   2  -0.926   6.032  -1.183
   17    HZ3  TRP   2           HZ3      TRP   2  -1.016   2.808   1.654
   18    HH2  TRP   2           HH2      TRP   2  -0.899   5.236   1.167
   19    H    CYS   3           HN       CYS   3   2.057   1.538  -3.337
   20    HA   CYS   3           HA       CYS   3   2.542   0.988  -0.472
   21    HB2  CYS   3           HB2      CYS   3   4.562   1.517  -2.666
   22    HB3  CYS   3           HB1      CYS   3   4.967   1.422  -0.946
   23    H    GLN   4           HN       GLN   4   2.477   2.674   0.826
   24    HA   GLN   4           HA       GLN   4   1.551   5.178   0.111
   25    HB2  GLN   4           HB2      GLN   4   2.633   5.861   2.385
   26    HB3  GLN   4           HB1      GLN   4   1.355   4.653   2.389
   27    HG2  GLN   4           HG2      GLN   4   4.225   3.803   2.134
   28    HG3  GLN   4           HG1      GLN   4   3.572   4.206   3.718
   29   HE21  GLN   4          HE21      GLN   4   4.410   1.513   2.688
   30   HE22  GLN   4          HE22      GLN   4   3.033   0.529   2.825
   31    HA   PRO   5           HA       PRO   5   5.032   7.303  -1.565
   32    HB2  PRO   5           HB2      PRO   5   4.706   9.839  -0.526
   33    HB3  PRO   5           HB1      PRO   5   3.776   9.199  -1.894
   34    HG2  PRO   5           HG2      PRO   5   3.010   9.432   0.973
   35    HG3  PRO   5           HG1      PRO   5   2.037   9.702  -0.484
   36    HD2  PRO   5           HD2      PRO   5   1.831   7.430   0.981
   37    HD3  PRO   5           HD1      PRO   5   1.597   7.432  -0.773
   38    H    GLY   6           HN       GLY   6   7.152   7.833  -1.029
   39    HA2  GLY   6           HA2      GLY   6   8.935   8.431   0.404
   40    HA3  GLY   6           HA1      GLY   6   7.854   8.259   1.785
   41    H    TYR   7           HN       TYR   7   7.078   5.661   0.095
   42    HA   TYR   7           HA       TYR   7   9.109   3.949   1.393
   43    HB2  TYR   7           HB2      TYR   7   6.209   3.468   0.704
   44    HB3  TYR   7           HB1      TYR   7   7.312   2.172   1.134
   45    HD1  TYR   7           HD1      TYR   7   6.226   5.546   2.366
   46    HD2  TYR   7           HD2      TYR   7   7.515   1.576   3.379
   47    HE1  TYR   7           HE1      TYR   7   5.887   6.048   4.770
   48    HE2  TYR   7           HE2      TYR   7   7.187   2.082   5.782
   49    HH   TYR   7           HH       TYR   7   5.558   4.946   6.849
   50    H    ALA   8           HN       ALA   8  10.014   2.246   0.204
   51    HA   ALA   8           HA       ALA   8   9.514   2.319  -2.713
   52    HB1  ALA   8           HB1      ALA   8  12.193   1.949  -1.358
   53    HB2  ALA   8           HB2      ALA   8  11.647   3.441  -2.121
   54    HB3  ALA   8           HB3      ALA   8  11.894   1.992  -3.095
   55    H    TYR   9           HN       TYR   9   9.273   0.421  -3.712
   56    HA   TYR   9           HA       TYR   9   8.731  -1.930  -2.283
   57    HB2  TYR   9           HB2      TYR   9   7.826  -1.532  -4.515
   58    HB3  TYR   9           HB1      TYR   9   9.450  -1.613  -5.199
   59    HD1  TYR   9           HD1      TYR   9   6.926  -3.572  -3.272
   60    HD2  TYR   9           HD2      TYR   9  10.450  -3.710  -5.737
   61    HE1  TYR   9           HE1      TYR   9   6.734  -6.039  -3.413
   62    HE2  TYR   9           HE2      TYR   9  10.248  -6.175  -5.876
   63    HH   TYR   9           HH       TYR   9   7.487  -7.884  -4.450
   64    H    ASN  10           HN       ASN  10   9.937  -3.542  -1.556
   65    HA   ASN  10           HA       ASN  10  12.783  -3.600  -2.317
   66    HB2  ASN  10           HB2      ASN  10  11.488  -3.639   0.264
   67    HB3  ASN  10           HB1      ASN  10  12.491  -5.070   0.031
   68   HD21  ASN  10          HD21      ASN  10  14.652  -4.790   0.494
   69   HD22  ASN  10          HD22      ASN  10  15.463  -3.303   0.487
   70    HA   PRO  11           HA       PRO  11  11.276  -7.580  -3.888
   71    HB2  PRO  11           HB2      PRO  11  13.556  -8.316  -5.227
   72    HB3  PRO  11           HB1      PRO  11  12.331  -7.225  -5.891
   73    HG2  PRO  11           HG2      PRO  11  14.991  -6.615  -4.767
   74    HG3  PRO  11           HG1      PRO  11  14.064  -5.777  -6.023
   75    HD2  PRO  11           HD2      PRO  11  14.322  -4.933  -3.382
   76    HD3  PRO  11           HD1      PRO  11  13.070  -4.381  -4.510
   77    H    VAL  12           HN       VAL  12  14.299  -7.027  -2.196
   78    HA   VAL  12           HA       VAL  12  14.913  -9.718  -1.553
   79    HB   VAL  12           HB       VAL  12  15.600  -7.107  -0.189
   80   HG11  VAL  12          HG11      VAL  12  17.474  -8.770   0.729
   81   HG12  VAL  12          HG12      VAL  12  16.181  -9.952   0.523
   82   HG13  VAL  12          HG13      VAL  12  15.942  -8.559   1.577
   83   HG21  VAL  12          HG21      VAL  12  17.612  -7.215  -1.387
   84   HG22  VAL  12          HG22      VAL  12  16.456  -7.834  -2.564
   85   HG23  VAL  12          HG23      VAL  12  17.472  -8.952  -1.655
   86    H    LEU  13           HN       LEU  13  13.084  -7.196   0.159
   87    HA   LEU  13           HA       LEU  13  12.375  -9.027   2.305
   88    HB2  LEU  13           HB2      LEU  13  11.443  -6.195   1.763
   89    HB3  LEU  13           HB1      LEU  13  11.186  -7.106   3.248
   90    HG   LEU  13           HG       LEU  13  13.890  -6.353   2.103
   91   HD11  LEU  13          HD11      LEU  13  12.024  -5.042   3.980
   92   HD12  LEU  13          HD12      LEU  13  13.336  -4.348   3.025
   93   HD13  LEU  13          HD13      LEU  13  13.688  -5.158   4.552
   94   HD21  LEU  13          HD21      LEU  13  14.446  -7.057   4.603
   95   HD22  LEU  13          HD22      LEU  13  14.348  -8.273   3.332
   96   HD23  LEU  13          HD23      LEU  13  12.985  -8.027   4.422
   97    H    GLY  14           HN       GLY  14  11.087  -7.950  -0.705
   98    HA2  GLY  14           HA2      GLY  14   9.304  -8.866  -1.888
   99    HA3  GLY  14           HA1      GLY  14   8.834  -9.755  -0.446
  100    H    ILE  15           HN       ILE  15   9.256  -6.640   0.556
  101    HA   ILE  15           HA       ILE  15   6.592  -5.730  -0.264
  102    HB   ILE  15           HB       ILE  15   5.683  -5.554   1.848
  103   HG12  ILE  15          HG12      ILE  15   7.415  -4.280   2.979
  104   HG13  ILE  15          HG11      ILE  15   7.044  -5.688   3.959
  105   HG21  ILE  15          HG21      ILE  15   6.013  -7.684   2.978
  106   HG22  ILE  15          HG22      ILE  15   7.560  -7.909   2.161
  107   HG23  ILE  15          HG23      ILE  15   6.062  -7.932   1.232
  108   HD11  ILE  15          HD11      ILE  15   9.518  -5.054   2.437
  109   HD12  ILE  15          HD12      ILE  15   9.021  -6.743   2.472
  110   HD13  ILE  15          HD13      ILE  15   9.323  -5.884   3.977
  111    H    CYS  16           HN       CYS  16   6.209  -3.446   0.818
  112    HA   CYS  16           HA       CYS  16   8.510  -1.854   0.005
  113    HB2  CYS  16           HB2      CYS  16   5.678  -1.106   0.747
  114    HB3  CYS  16           HB1      CYS  16   6.921   0.066   0.327
  115    H    THR  17           HN       THR  17   9.703  -0.548   1.272
  116    HA   THR  17           HA       THR  17   9.080  -0.476   4.161
  117    HB   THR  17           HB       THR  17  11.477  -0.697   4.638
  118    HG1  THR  17           HG1      THR  17  11.572  -0.693   1.838
  119   HG21  THR  17          HG21      THR  17  11.304  -3.041   2.950
  120   HG22  THR  17          HG22      THR  17   9.749  -2.713   3.713
  121   HG23  THR  17          HG23      THR  17  11.191  -2.927   4.707
  122    H    ILE  18           HN       ILE  18   9.966   1.377   5.275
  123    HA   ILE  18           HA       ILE  18   9.677   3.783   3.789
  124    HB   ILE  18           HB       ILE  18   9.287   3.344   6.326
  125   HG12  ILE  18          HG12      ILE  18  10.798   5.856   5.537
  126   HG13  ILE  18          HG11      ILE  18   9.109   5.569   5.120
  127   HG21  ILE  18          HG21      ILE  18  12.140   4.305   6.511
  128   HG22  ILE  18          HG22      ILE  18  11.769   2.580   6.490
  129   HG23  ILE  18          HG23      ILE  18  11.127   3.604   7.774
  130   HD11  ILE  18          HD11      ILE  18  10.250   5.655   7.925
  131   HD12  ILE  18          HD12      ILE  18   8.568   5.310   7.521
  132   HD13  ILE  18          HD13      ILE  18   9.251   6.898   7.173
  133    H    THR  19           HN       THR  19  11.224   5.346   3.243
  134    HA   THR  19           HA       THR  19  14.039   4.449   3.318
  135    HB   THR  19           HB       THR  19  14.347   5.362   1.063
  136    HG1  THR  19           HG1      THR  19  12.289   5.822  -0.057
  137   HG21  THR  19          HG21      THR  19  13.567   3.480   0.005
  138   HG22  THR  19          HG22      THR  19  11.955   3.625   0.707
  139   HG23  THR  19          HG23      THR  19  13.281   2.970   1.669
  140    H    LEU  20           HN       LEU  20  15.595   6.129   3.338
  141    HA   LEU  20           HA       LEU  20  14.567   8.827   3.925
  142    HB2  LEU  20           HB2      LEU  20  15.756   7.020   5.800
  143    HB3  LEU  20           HB1      LEU  20  16.874   8.356   5.531
  144    HG   LEU  20           HG       LEU  20  15.319   8.862   7.376
  145   HD11  LEU  20          HD11      LEU  20  15.367  11.020   6.743
  146   HD12  LEU  20          HD12      LEU  20  14.159  10.732   5.489
  147   HD13  LEU  20          HD13      LEU  20  15.870  10.477   5.143
  148   HD21  LEU  20          HD21      LEU  20  13.070   8.541   7.255
  149   HD22  LEU  20          HD22      LEU  20  13.462   7.494   5.892
  150   HD23  LEU  20          HD23      LEU  20  12.975   9.164   5.607
  151    H    SER  21           HN       SER  21  16.977   6.745   2.599
  152    HA   SER  21           HA       SER  21  18.406   9.100   1.520
  153    HB2  SER  21           HB2      SER  21  19.606   6.467   2.402
  154    HB3  SER  21           HB1      SER  21  20.484   7.756   1.586
  155    HG   SER  21           HG       SER  21  20.393   7.597   4.051
  156    H    ARG  22           HN       ARG  22  19.173   8.917  -0.605
  157    HA   ARG  22           HA       ARG  22  19.337   8.066  -2.750
  158    HB2  ARG  22           HB2      ARG  22  19.489   5.792  -1.333
  159    HB3  ARG  22           HB1      ARG  22  17.917   5.536  -2.088
  160    HG2  ARG  22           HG2      ARG  22  19.323   4.637  -3.705
  161    HG3  ARG  22           HG1      ARG  22  19.189   6.300  -4.277
  162    HD2  ARG  22           HD2      ARG  22  21.539   5.582  -4.269
  163    HD3  ARG  22           HD1      ARG  22  21.289   6.870  -3.097
  164    HE   ARG  22           HE       ARG  22  21.752   5.349  -1.393
  165   HH11  ARG  22          HH11      ARG  22  22.437   3.318  -0.641
  166   HH12  ARG  22          HH12      ARG  22  22.427   1.955  -1.709
  167   HH21  ARG  22          HH21      ARG  22  21.214   3.751  -4.416
  168   HH22  ARG  22          HH22      ARG  22  21.734   2.200  -3.847
  Start of MODEL    8
    1    H    GLN   1           HN       GLN   1   0.353  -5.520  -4.860
    2    HA   GLN   1           HA       GLN   1   0.437  -5.266  -2.446
    3    HB2  GLN   1           HB2      GLN   1   2.688  -6.402  -2.392
    4    HB3  GLN   1           HB1      GLN   1   3.407  -4.864  -2.860
    5    HG2  GLN   1           HG2      GLN   1   3.524  -5.117  -0.433
    6    HG3  GLN   1           HG1      GLN   1   2.419  -3.808  -0.839
    7   HE21  GLN   1          HE21      GLN   1   0.626  -3.885   0.514
    8   HE22  GLN   1          HE22      GLN   1  -0.146  -5.306   1.029
    9    H    TRP   2           HN       TRP   2   0.361  -3.269  -1.346
   10    HA   TRP   2           HA       TRP   2   0.747  -0.929  -3.108
   11    HB2  TRP   2           HB2      TRP   2  -1.572  -1.315  -2.408
   12    HB3  TRP   2           HB1      TRP   2  -1.075  -1.279  -0.716
   13    HD1  TRP   2           HD1      TRP   2  -1.544   0.969  -3.759
   14    HE1  TRP   2           HE1      TRP   2  -1.527   3.428  -2.988
   15    HE3  TRP   2           HE3      TRP   2  -0.214   0.351   1.132
   16    HZ2  TRP   2           HZ2      TRP   2  -1.014   4.936  -0.611
   17    HZ3  TRP   2           HZ3      TRP   2   0.032   2.314   2.625
   18    HH2  TRP   2           HH2      TRP   2  -0.365   4.602   1.761
   19    H    CYS   3           HN       CYS   3   2.184   0.584  -2.566
   20    HA   CYS   3           HA       CYS   3   3.347   0.507   0.157
   21    HB2  CYS   3           HB2      CYS   3   4.626   1.384  -2.443
   22    HB3  CYS   3           HB1      CYS   3   5.387   1.467  -0.856
   23    H    GLN   4           HN       GLN   4   3.781   2.467   1.181
   24    HA   GLN   4           HA       GLN   4   1.949   4.591   0.635
   25    HB2  GLN   4           HB2      GLN   4   3.832   5.574   2.439
   26    HB3  GLN   4           HB1      GLN   4   2.310   4.791   2.856
   27    HG2  GLN   4           HG2      GLN   4   4.885   3.279   2.359
   28    HG3  GLN   4           HG1      GLN   4   4.363   3.804   3.957
   29   HE21  GLN   4          HE21      GLN   4   4.341   1.134   1.993
   30   HE22  GLN   4          HE22      GLN   4   2.944   0.367   2.578
   31    HA   PRO   5           HA       PRO   5   4.404   7.180  -1.927
   32    HB2  PRO   5           HB2      PRO   5   4.117   9.670  -0.765
   33    HB3  PRO   5           HB1      PRO   5   2.882   8.896  -1.777
   34    HG2  PRO   5           HG2      PRO   5   3.062   9.076   1.188
   35    HG3  PRO   5           HG1      PRO   5   1.643   9.184   0.131
   36    HD2  PRO   5           HD2      PRO   5   2.233   6.933   1.534
   37    HD3  PRO   5           HD1      PRO   5   1.432   6.873  -0.048
   38    H    GLY   6           HN       GLY   6   6.546   7.721  -2.095
   39    HA2  GLY   6           HA2      GLY   6   8.649   8.511  -1.385
   40    HA3  GLY   6           HA1      GLY   6   8.056   8.540   0.273
   41    H    TYR   7           HN       TYR   7   6.974   5.700  -0.735
   42    HA   TYR   7           HA       TYR   7   9.412   4.234   0.080
   43    HB2  TYR   7           HB2      TYR   7   6.485   3.670   0.544
   44    HB3  TYR   7           HB1      TYR   7   7.710   2.422   0.716
   45    HD1  TYR   7           HD1      TYR   7   7.001   5.948   1.795
   46    HD2  TYR   7           HD2      TYR   7   8.761   2.158   2.781
   47    HE1  TYR   7           HE1      TYR   7   7.542   6.785   4.067
   48    HE2  TYR   7           HE2      TYR   7   9.313   2.994   5.042
   49    HH   TYR   7           HH       TYR   7   8.600   4.702   6.590
   50    H    ALA   8           HN       ALA   8  10.037   2.442  -1.084
   51    HA   ALA   8           HA       ALA   8   8.670   2.046  -3.679
   52    HB1  ALA   8           HB1      ALA   8  10.953   1.164  -4.399
   53    HB2  ALA   8           HB2      ALA   8  11.580   1.854  -2.903
   54    HB3  ALA   8           HB3      ALA   8  10.843   2.901  -4.116
   55    H    TYR   9           HN       TYR   9   7.962   0.052  -4.184
   56    HA   TYR   9           HA       TYR   9   7.776  -1.954  -2.206
   57    HB2  TYR   9           HB2      TYR   9   6.136  -1.775  -4.003
   58    HB3  TYR   9           HB1      TYR   9   7.377  -2.154  -5.198
   59    HD1  TYR   9           HD1      TYR   9   5.735  -3.501  -2.120
   60    HD2  TYR   9           HD2      TYR   9   7.863  -4.402  -5.745
   61    HE1  TYR   9           HE1      TYR   9   5.343  -5.920  -1.750
   62    HE2  TYR   9           HE2      TYR   9   7.465  -6.819  -5.373
   63    HH   TYR   9           HH       TYR   9   5.642  -8.207  -4.067
   64    H    ASN  10           HN       ASN  10   9.076  -3.584  -1.660
   65    HA   ASN  10           HA       ASN  10  11.441  -4.086  -3.345
   66    HB2  ASN  10           HB2      ASN  10  11.086  -3.809  -0.453
   67    HB3  ASN  10           HB1      ASN  10  12.042  -5.208  -0.938
   68   HD21  ASN  10          HD21      ASN  10  14.176  -4.833  -1.516
   69   HD22  ASN  10          HD22      ASN  10  14.833  -3.303  -1.820
   70    HA   PRO  11           HA       PRO  11   9.240  -8.046  -3.644
   71    HB2  PRO  11           HB2      PRO  11  10.726  -9.130  -5.669
   72    HB3  PRO  11           HB1      PRO  11   9.411  -7.974  -5.934
   73    HG2  PRO  11           HG2      PRO  11  12.336  -7.559  -6.013
   74    HG3  PRO  11           HG1      PRO  11  11.048  -6.760  -6.929
   75    HD2  PRO  11           HD2      PRO  11  12.363  -5.677  -4.724
   76    HD3  PRO  11           HD1      PRO  11  10.807  -5.112  -5.359
   77    H    VAL  12           HN       VAL  12  12.718  -7.603  -3.438
   78    HA   VAL  12           HA       VAL  12  13.422 -10.248  -2.714
   79    HB   VAL  12           HB       VAL  12  14.756  -7.586  -2.187
   80   HG11  VAL  12          HG11      VAL  12  16.772  -9.256  -1.865
   81   HG12  VAL  12          HG12      VAL  12  15.499 -10.391  -1.419
   82   HG13  VAL  12          HG13      VAL  12  15.704  -8.895  -0.510
   83   HG21  VAL  12          HG21      VAL  12  15.697  -9.792  -4.007
   84   HG22  VAL  12          HG22      VAL  12  16.056  -8.067  -4.081
   85   HG23  VAL  12          HG23      VAL  12  14.464  -8.658  -4.558
   86    H    LEU  13           HN       LEU  13  12.628  -7.365  -0.785
   87    HA   LEU  13           HA       LEU  13  12.880  -8.834   1.706
   88    HB2  LEU  13           HB2      LEU  13  11.805  -6.047   1.207
   89    HB3  LEU  13           HB1      LEU  13  12.248  -6.733   2.767
   90    HG   LEU  13           HG       LEU  13  14.148  -6.308   0.443
   91   HD11  LEU  13          HD11      LEU  13  13.286  -4.630   2.698
   92   HD12  LEU  13          HD12      LEU  13  14.123  -4.178   1.214
   93   HD13  LEU  13          HD13      LEU  13  15.037  -4.815   2.580
   94   HD21  LEU  13          HD21      LEU  13  15.101  -8.087   1.609
   95   HD22  LEU  13          HD22      LEU  13  14.387  -7.599   3.144
   96   HD23  LEU  13          HD23      LEU  13  15.773  -6.722   2.498
   97    H    GLY  14           HN       GLY  14  10.417  -8.077  -0.590
   98    HA2  GLY  14           HA2      GLY  14   8.298  -9.022  -0.752
   99    HA3  GLY  14           HA1      GLY  14   8.501  -9.696   0.857
  100    H    ILE  15           HN       ILE  15   9.268  -6.459   1.071
  101    HA   ILE  15           HA       ILE  15   6.481  -5.612   1.470
  102    HB   ILE  15           HB       ILE  15   6.717  -4.995   3.680
  103   HG12  ILE  15          HG12      ILE  15   8.697  -3.598   3.552
  104   HG13  ILE  15          HG11      ILE  15   8.953  -4.784   4.822
  105   HG21  ILE  15          HG21      ILE  15   7.683  -6.882   4.873
  106   HG22  ILE  15          HG22      ILE  15   8.646  -7.320   3.461
  107   HG23  ILE  15          HG23      ILE  15   6.889  -7.464   3.410
  108   HD11  ILE  15          HD11      ILE  15  10.951  -5.037   3.728
  109   HD12  ILE  15          HD12      ILE  15  10.291  -4.547   2.171
  110   HD13  ILE  15          HD13      ILE  15   9.998  -6.174   2.783
  111    H    CYS  16           HN       CYS  16   6.587  -3.157   2.249
  112    HA   CYS  16           HA       CYS  16   8.004  -1.775   0.101
  113    HB2  CYS  16           HB2      CYS  16   6.104  -0.678   2.192
  114    HB3  CYS  16           HB1      CYS  16   6.653   0.151   0.736
  115    H    THR  17           HN       THR  17   9.715  -0.409   0.388
  116    HA   THR  17           HA       THR  17  10.606   0.105   3.162
  117    HB   THR  17           HB       THR  17  12.930  -0.186   2.415
  118    HG1  THR  17           HG1      THR  17  13.352  -0.865   0.366
  119   HG21  THR  17          HG21      THR  17  12.748  -2.355   2.981
  120   HG22  THR  17          HG22      THR  17  11.950  -2.738   1.455
  121   HG23  THR  17          HG23      THR  17  11.000  -2.181   2.832
  122    H    ILE  18           HN       ILE  18  11.913   1.992   3.446
  123    HA   ILE  18           HA       ILE  18  10.986   4.193   1.825
  124    HB   ILE  18           HB       ILE  18  11.396   4.093   4.408
  125   HG12  ILE  18          HG12      ILE  18  12.425   6.488   2.854
  126   HG13  ILE  18          HG11      ILE  18  10.715   6.117   3.057
  127   HG21  ILE  18          HG21      ILE  18  13.568   4.606   5.169
  128   HG22  ILE  18          HG22      ILE  18  14.110   5.104   3.566
  129   HG23  ILE  18          HG23      ILE  18  13.846   3.396   3.916
  130   HD11  ILE  18          HD11      ILE  18  11.416   7.731   4.756
  131   HD12  ILE  18          HD12      ILE  18  12.700   6.643   5.285
  132   HD13  ILE  18          HD13      ILE  18  11.012   6.193   5.521
  133    H    THR  19           HN       THR  19  12.179   5.492   0.479
  134    HA   THR  19           HA       THR  19  14.801   4.422  -0.334
  135    HB   THR  19           HB       THR  19  14.393   5.605  -2.459
  136    HG1  THR  19           HG1      THR  19  12.567   6.731  -2.756
  137   HG21  THR  19          HG21      THR  19  11.955   3.963  -1.791
  138   HG22  THR  19          HG22      THR  19  13.552   3.227  -1.925
  139   HG23  THR  19          HG23      THR  19  12.837   4.040  -3.316
  140    H    LEU  20           HN       LEU  20  13.767   6.575   1.685
  141    HA   LEU  20           HA       LEU  20  15.615   8.733   0.894
  142    HB2  LEU  20           HB2      LEU  20  13.306   9.458   1.293
  143    HB3  LEU  20           HB1      LEU  20  13.346   8.744   2.901
  144    HG   LEU  20           HG       LEU  20  15.168  10.291   3.547
  145   HD11  LEU  20          HD11      LEU  20  16.390  10.869   1.669
  146   HD12  LEU  20          HD12      LEU  20  15.342  12.283   1.778
  147   HD13  LEU  20          HD13      LEU  20  14.960  10.986   0.645
  148   HD21  LEU  20          HD21      LEU  20  13.790  12.448   3.261
  149   HD22  LEU  20          HD22      LEU  20  13.002  11.098   4.079
  150   HD23  LEU  20          HD23      LEU  20  12.627  11.446   2.391
  151    H    SER  21           HN       SER  21  17.504   8.854   1.907
  152    HA   SER  21           HA       SER  21  17.722   8.138   4.727
  153    HB2  SER  21           HB2      SER  21  18.187   6.014   3.593
  154    HB3  SER  21           HB1      SER  21  19.401   6.803   2.589
  155    HG   SER  21           HG       SER  21  20.255   5.730   4.470
  156    H    ARG  22           HN       ARG  22  19.384   9.202   5.772
  157    HA   ARG  22           HA       ARG  22  21.412  10.628   4.263
  158    HB2  ARG  22           HB2      ARG  22  19.369  12.112   4.204
  159    HB3  ARG  22           HB1      ARG  22  19.484  12.223   5.961
  160    HG2  ARG  22           HG2      ARG  22  21.843  13.045   5.692
  161    HG3  ARG  22           HG1      ARG  22  21.579  13.086   3.948
  162    HD2  ARG  22           HD2      ARG  22  21.154  15.303   4.779
  163    HD3  ARG  22           HD1      ARG  22  19.597  14.591   4.372
  164    HE   ARG  22           HE       ARG  22  19.047  14.605   6.638
  165   HH11  ARG  22          HH11      ARG  22  19.442  15.176   8.800
  166   HH12  ARG  22          HH12      ARG  22  21.041  15.625   9.293
  167   HH21  ARG  22          HH21      ARG  22  22.418  15.206   6.139
  168   HH22  ARG  22          HH22      ARG  22  22.725  15.643   7.787
  Start of MODEL    9
    1    H    GLN   1           HN       GLN   1   2.380  -5.561  -5.842
    2    HA   GLN   1           HA       GLN   1   1.063  -5.051  -4.021
    3    HB2  GLN   1           HB2      GLN   1   3.021  -6.330  -2.880
    4    HB3  GLN   1           HB1      GLN   1   3.549  -4.732  -2.355
    5    HG2  GLN   1           HG2      GLN   1   2.152  -5.651  -0.611
    6    HG3  GLN   1           HG1      GLN   1   1.246  -4.365  -1.403
    7   HE21  GLN   1          HE21      GLN   1   1.750  -7.919  -1.875
    8   HE22  GLN   1          HE22      GLN   1   0.116  -8.246  -2.193
    9    H    TRP   2           HN       TRP   2   0.145  -3.210  -3.253
   10    HA   TRP   2           HA       TRP   2   1.124  -0.707  -4.169
   11    HB2  TRP   2           HB2      TRP   2  -1.273  -1.157  -3.858
   12    HB3  TRP   2           HB1      TRP   2  -1.022  -1.303  -2.117
   13    HD1  TRP   2           HD1      TRP   2  -1.061   1.260  -4.945
   14    HE1  TRP   2           HE1      TRP   2  -1.175   3.623  -3.922
   15    HE3  TRP   2           HE3      TRP   2  -0.457   0.113  -0.005
   16    HZ2  TRP   2           HZ2      TRP   2  -1.027   4.864  -1.347
   17    HZ3  TRP   2           HZ3      TRP   2  -0.448   1.903   1.708
   18    HH2  TRP   2           HH2      TRP   2  -0.730   4.273   1.045
   19    H    CYS   3           HN       CYS   3   2.361   0.796  -3.218
   20    HA   CYS   3           HA       CYS   3   3.152   0.367  -0.396
   21    HB2  CYS   3           HB2      CYS   3   4.792   1.504  -2.673
   22    HB3  CYS   3           HB1      CYS   3   5.311   1.430  -0.990
   23    H    GLN   4           HN       GLN   4   3.458   2.203   0.887
   24    HA   GLN   4           HA       GLN   4   1.708   4.397   0.320
   25    HB2  GLN   4           HB2      GLN   4   3.291   5.147   2.484
   26    HB3  GLN   4           HB1      GLN   4   1.731   4.336   2.579
   27    HG2  GLN   4           HG2      GLN   4   4.361   2.864   2.299
   28    HG3  GLN   4           HG1      GLN   4   3.610   3.212   3.854
   29   HE21  GLN   4          HE21      GLN   4   3.881   0.779   1.611
   30   HE22  GLN   4          HE22      GLN   4   2.418  -0.031   1.901
   31    HA   PRO   5           HA       PRO   5   4.531   7.207  -1.537
   32    HB2  PRO   5           HB2      PRO   5   4.015   9.572  -0.217
   33    HB3  PRO   5           HB1      PRO   5   2.964   8.891  -1.473
   34    HG2  PRO   5           HG2      PRO   5   2.681   8.791   1.489
   35    HG3  PRO   5           HG1      PRO   5   1.441   9.004   0.242
   36    HD2  PRO   5           HD2      PRO   5   1.842   6.626   1.496
   37    HD3  PRO   5           HD1      PRO   5   1.287   6.721  -0.186
   38    H    GLY   6           HN       GLY   6   6.663   7.737  -1.289
   39    HA2  GLY   6           HA2      GLY   6   8.606   8.460  -0.165
   40    HA3  GLY   6           HA1      GLY   6   7.740   8.343   1.365
   41    H    TYR   7           HN       TYR   7   6.870   5.612  -0.045
   42    HA   TYR   7           HA       TYR   7   9.148   4.066   1.032
   43    HB2  TYR   7           HB2      TYR   7   6.191   3.478   0.929
   44    HB3  TYR   7           HB1      TYR   7   7.384   2.216   1.210
   45    HD1  TYR   7           HD1      TYR   7   6.517   5.665   2.417
   46    HD2  TYR   7           HD2      TYR   7   7.997   1.762   3.417
   47    HE1  TYR   7           HE1      TYR   7   6.648   6.324   4.805
   48    HE2  TYR   7           HE2      TYR   7   8.138   2.420   5.799
   49    HH   TYR   7           HH       TYR   7   6.956   5.581   6.901
   50    H    ALA   8           HN       ALA   8  10.013   2.423  -0.185
   51    HA   ALA   8           HA       ALA   8   9.103   2.277  -2.995
   52    HB1  ALA   8           HB1      ALA   8  11.402   3.202  -2.594
   53    HB2  ALA   8           HB2      ALA   8  11.375   1.761  -3.608
   54    HB3  ALA   8           HB3      ALA   8  11.854   1.637  -1.915
   55    H    TYR   9           HN       TYR   9   8.519   0.359  -3.818
   56    HA   TYR   9           HA       TYR   9   8.006  -1.845  -2.132
   57    HB2  TYR   9           HB2      TYR   9   6.712  -1.471  -4.161
   58    HB3  TYR   9           HB1      TYR   9   8.153  -1.717  -5.150
   59    HD1  TYR   9           HD1      TYR   9   6.016  -3.397  -2.578
   60    HD2  TYR   9           HD2      TYR   9   8.767  -3.890  -5.846
   61    HE1  TYR   9           HE1      TYR   9   5.606  -5.841  -2.555
   62    HE2  TYR   9           HE2      TYR   9   8.351  -6.332  -5.820
   63    HH   TYR   9           HH       TYR   9   6.916  -7.947  -5.050
   64    H    ASN  10           HN       ASN  10   9.199  -3.531  -1.537
   65    HA   ASN  10           HA       ASN  10  11.826  -3.894  -2.823
   66    HB2  ASN  10           HB2      ASN  10  10.978  -3.875  -0.022
   67    HB3  ASN  10           HB1      ASN  10  12.008  -5.237  -0.461
   68   HD21  ASN  10          HD21      ASN  10  14.204  -4.836  -0.571
   69   HD22  ASN  10          HD22      ASN  10  14.900  -3.297  -0.637
   70    HA   PRO  11           HA       PRO  11   9.728  -7.785  -3.857
   71    HB2  PRO  11           HB2      PRO  11  11.580  -8.719  -5.648
   72    HB3  PRO  11           HB1      PRO  11  10.324  -7.543  -6.061
   73    HG2  PRO  11           HG2      PRO  11  13.207  -7.132  -5.582
   74    HG3  PRO  11           HG1      PRO  11  12.089  -6.245  -6.631
   75    HD2  PRO  11           HD2      PRO  11  12.995  -5.382  -4.137
   76    HD3  PRO  11           HD1      PRO  11  11.581  -4.737  -4.991
   77    H    VAL  12           HN       VAL  12  13.115  -7.428  -2.985
   78    HA   VAL  12           HA       VAL  12  13.664 -10.136  -2.368
   79    HB   VAL  12           HB       VAL  12  14.876  -7.553  -1.366
   80   HG11  VAL  12          HG11      VAL  12  15.537 -10.439  -0.797
   81   HG12  VAL  12          HG12      VAL  12  15.419  -9.092   0.334
   82   HG13  VAL  12          HG13      VAL  12  16.794  -9.203  -0.766
   83   HG21  VAL  12          HG21      VAL  12  15.074  -8.256  -3.820
   84   HG22  VAL  12          HG22      VAL  12  16.011  -9.636  -3.248
   85   HG23  VAL  12          HG23      VAL  12  16.596  -7.995  -2.969
   86    H    LEU  13           HN       LEU  13  12.554  -7.410  -0.369
   87    HA   LEU  13           HA       LEU  13  12.334  -9.069   1.996
   88    HB2  LEU  13           HB2      LEU  13  11.349  -6.249   1.500
   89    HB3  LEU  13           HB1      LEU  13  11.457  -7.051   3.063
   90    HG   LEU  13           HG       LEU  13  13.803  -6.469   1.230
   91   HD11  LEU  13          HD11      LEU  13  14.334  -5.046   3.416
   92   HD12  LEU  13          HD12      LEU  13  12.577  -5.053   3.561
   93   HD13  LEU  13          HD13      LEU  13  13.340  -4.386   2.118
   94   HD21  LEU  13          HD21      LEU  13  14.526  -8.317   2.442
   95   HD22  LEU  13          HD22      LEU  13  13.470  -7.964   3.809
   96   HD23  LEU  13          HD23      LEU  13  14.944  -7.027   3.569
   97    H    GLY  14           HN       GLY  14  10.304  -8.076  -0.633
   98    HA2  GLY  14           HA2      GLY  14   8.266  -9.019  -1.256
   99    HA3  GLY  14           HA1      GLY  14   8.181  -9.818   0.305
  100    H    ILE  15           HN       ILE  15   8.861  -6.617   0.934
  101    HA   ILE  15           HA       ILE  15   6.049  -5.771   0.836
  102    HB   ILE  15           HB       ILE  15   5.820  -5.327   3.095
  103   HG12  ILE  15          HG12      ILE  15   7.823  -4.033   3.526
  104   HG13  ILE  15          HG11      ILE  15   7.767  -5.344   4.698
  105   HG21  ILE  15          HG21      ILE  15   6.315  -7.364   4.236
  106   HG22  ILE  15          HG22      ILE  15   7.695  -7.696   3.190
  107   HG23  ILE  15          HG23      ILE  15   6.054  -7.793   2.546
  108   HD11  ILE  15          HD11      ILE  15   9.954  -5.541   4.010
  109   HD12  ILE  15          HD12      ILE  15   9.615  -4.965   2.381
  110   HD13  ILE  15          HD13      ILE  15   9.186  -6.612   2.842
  111    H    CYS  16           HN       CYS  16   5.974  -3.401   1.840
  112    HA   CYS  16           HA       CYS  16   7.819  -1.857   0.185
  113    HB2  CYS  16           HB2      CYS  16   5.522  -0.878   1.900
  114    HB3  CYS  16           HB1      CYS  16   6.334   0.005   0.606
  115    H    THR  17           HN       THR  17   9.441  -0.581   0.960
  116    HA   THR  17           HA       THR  17   9.671  -0.285   3.898
  117    HB   THR  17           HB       THR  17  12.104  -0.568   3.679
  118    HG1  THR  17           HG1      THR  17  13.016  -0.811   1.777
  119   HG21  THR  17          HG21      THR  17  11.827  -2.781   3.985
  120   HG22  THR  17          HG22      THR  17  11.331  -3.015   2.309
  121   HG23  THR  17          HG23      THR  17  10.140  -2.550   3.524
  122    H    ILE  18           HN       ILE  18  10.811   1.569   4.627
  123    HA   ILE  18           HA       ILE  18  10.254   3.913   3.091
  124    HB   ILE  18           HB       ILE  18  10.318   3.603   5.677
  125   HG12  ILE  18          HG12      ILE  18  11.671   6.040   4.475
  126   HG13  ILE  18          HG11      ILE  18   9.931   5.764   4.429
  127   HG21  ILE  18          HG21      ILE  18  12.381   3.889   6.762
  128   HG22  ILE  18          HG22      ILE  18  13.161   4.527   5.314
  129   HG23  ILE  18          HG23      ILE  18  12.787   2.807   5.430
  130   HD11  ILE  18          HD11      ILE  18  10.507   7.202   6.332
  131   HD12  ILE  18          HD12      ILE  18  11.624   5.978   6.936
  132   HD13  ILE  18          HD13      ILE  18   9.891   5.651   6.903
  133    H    THR  19           HN       THR  19  11.776   5.490   2.352
  134    HA   THR  19           HA       THR  19  14.505   4.474   1.892
  135    HB   THR  19           HB       THR  19  14.426   5.317  -0.402
  136    HG1  THR  19           HG1      THR  19  11.806   5.657  -0.681
  137   HG21  THR  19          HG21      THR  19  13.314   3.015   0.459
  138   HG22  THR  19          HG22      THR  19  13.363   3.470  -1.244
  139   HG23  THR  19          HG23      THR  19  11.902   3.751  -0.297
  140    H    LEU  20           HN       LEU  20  16.097   6.073   1.772
  141    HA   LEU  20           HA       LEU  20  15.259   8.844   2.257
  142    HB2  LEU  20           HB2      LEU  20  17.074   7.207   4.019
  143    HB3  LEU  20           HB1      LEU  20  17.063   8.968   4.053
  144    HG   LEU  20           HG       LEU  20  14.615   7.228   4.490
  145   HD11  LEU  20          HD11      LEU  20  14.866   7.863   6.876
  146   HD12  LEU  20          HD12      LEU  20  16.402   8.637   6.490
  147   HD13  LEU  20          HD13      LEU  20  16.222   6.892   6.301
  148   HD21  LEU  20          HD21      LEU  20  13.581   9.210   4.087
  149   HD22  LEU  20          HD22      LEU  20  15.081  10.124   4.211
  150   HD23  LEU  20          HD23      LEU  20  14.191   9.691   5.668
  151    H    SER  21           HN       SER  21  16.712  10.399   1.546
  152    HA   SER  21           HA       SER  21  18.397   9.677  -0.608
  153    HB2  SER  21           HB2      SER  21  19.052  12.028  -0.630
  154    HB3  SER  21           HB1      SER  21  17.314  11.894  -0.381
  155    HG   SER  21           HG       SER  21  19.355  12.505   1.472
  156    H    ARG  22           HN       ARG  22  18.936   9.918   2.802
  157    HA   ARG  22           HA       ARG  22  21.855   9.871   2.449
  158    HB2  ARG  22           HB2      ARG  22  20.852  11.442   4.111
  159    HB3  ARG  22           HB1      ARG  22  20.244  10.050   5.005
  160    HG2  ARG  22           HG2      ARG  22  22.536   9.216   5.303
  161    HG3  ARG  22           HG1      ARG  22  23.163  10.579   4.374
  162    HD2  ARG  22           HD2      ARG  22  22.211  12.139   6.046
  163    HD3  ARG  22           HD1      ARG  22  21.630  10.766   6.983
  164    HE   ARG  22           HE       ARG  22  24.374  11.703   6.802
  165   HH11  ARG  22          HH11      ARG  22  25.836  10.642   8.178
  166   HH12  ARG  22          HH12      ARG  22  25.368   9.167   8.958
  167   HH21  ARG  22          HH21      ARG  22  22.199   9.118   7.554
  168   HH22  ARG  22          HH22      ARG  22  23.311   8.305   8.605
  Start of MODEL   10
    1    H    GLN   1           HN       GLN   1   0.664  -4.128  -5.807
    2    HA   GLN   1           HA       GLN   1   2.173  -4.757  -3.359
    3    HB2  GLN   1           HB2      GLN   1   4.304  -4.622  -4.581
    4    HB3  GLN   1           HB1      GLN   1   3.314  -5.955  -5.173
    5    HG2  GLN   1           HG2      GLN   1   2.496  -4.473  -7.011
    6    HG3  GLN   1           HG1      GLN   1   3.606  -3.223  -6.450
    7   HE21  GLN   1          HE21      GLN   1   3.370  -5.581  -8.759
    8   HE22  GLN   1          HE22      GLN   1   5.014  -5.948  -8.959
    9    H    TRP   2           HN       TRP   2   0.358  -2.629  -3.936
   10    HA   TRP   2           HA       TRP   2   1.681  -0.248  -4.715
   11    HB2  TRP   2           HB2      TRP   2  -0.759  -0.441  -4.703
   12    HB3  TRP   2           HB1      TRP   2  -0.746  -0.635  -2.950
   13    HD1  TRP   2           HD1      TRP   2  -0.113   1.957  -5.689
   14    HE1  TRP   2           HE1      TRP   2  -0.170   4.309  -4.632
   15    HE3  TRP   2           HE3      TRP   2  -0.440   0.694  -0.752
   16    HZ2  TRP   2           HZ2      TRP   2  -0.338   5.496  -2.034
   17    HZ3  TRP   2           HZ3      TRP   2  -0.549   2.453   0.990
   18    HH2  TRP   2           HH2      TRP   2  -0.497   4.848   0.358
   19    H    CYS   3           HN       CYS   3   2.918   1.163  -3.623
   20    HA   CYS   3           HA       CYS   3   3.382   0.652  -0.743
   21    HB2  CYS   3           HB2      CYS   3   5.285   1.782  -2.811
   22    HB3  CYS   3           HB1      CYS   3   5.634   1.623  -1.091
   23    H    GLN   4           HN       GLN   4   3.611   2.438   0.620
   24    HA   GLN   4           HA       GLN   4   2.047   4.736  -0.093
   25    HB2  GLN   4           HB2      GLN   4   3.329   5.318   2.307
   26    HB3  GLN   4           HB1      GLN   4   1.732   4.596   2.138
   27    HG2  GLN   4           HG2      GLN   4   4.302   2.994   2.195
   28    HG3  GLN   4           HG1      GLN   4   3.327   3.318   3.626
   29   HE21  GLN   4          HE21      GLN   4   3.856   0.958   1.369
   30   HE22  GLN   4          HE22      GLN   4   2.331   0.215   1.371
   31    HA   PRO   5           HA       PRO   5   5.231   7.468  -1.391
   32    HB2  PRO   5           HB2      PRO   5   4.648   9.796  -0.030
   33    HB3  PRO   5           HB1      PRO   5   3.760   9.236  -1.460
   34    HG2  PRO   5           HG2      PRO   5   3.043   9.017   1.421
   35    HG3  PRO   5           HG1      PRO   5   2.011   9.353   0.020
   36    HD2  PRO   5           HD2      PRO   5   2.108   6.903   1.195
   37    HD3  PRO   5           HD1      PRO   5   1.812   7.103  -0.543
   38    H    GLY   6           HN       GLY   6   7.325   7.912  -0.818
   39    HA2  GLY   6           HA2      GLY   6   9.118   8.467   0.605
   40    HA3  GLY   6           HA1      GLY   6   8.042   8.297   1.992
   41    H    TYR   7           HN       TYR   7   7.267   5.703   0.297
   42    HA   TYR   7           HA       TYR   7   9.321   3.987   1.557
   43    HB2  TYR   7           HB2      TYR   7   6.380   3.556   1.055
   44    HB3  TYR   7           HB1      TYR   7   7.471   2.214   1.376
   45    HD1  TYR   7           HD1      TYR   7   6.554   5.592   2.738
   46    HD2  TYR   7           HD2      TYR   7   7.860   1.593   3.592
   47    HE1  TYR   7           HE1      TYR   7   6.430   6.066   5.170
   48    HE2  TYR   7           HE2      TYR   7   7.749   2.066   6.017
   49    HH   TYR   7           HH       TYR   7   6.529   3.646   7.523
   50    H    ALA   8           HN       ALA   8  10.243   2.349   0.369
   51    HA   ALA   8           HA       ALA   8   9.731   2.427  -2.544
   52    HB1  ALA   8           HB1      ALA   8  12.079   1.614  -2.763
   53    HB2  ALA   8           HB2      ALA   8  12.262   1.780  -1.017
   54    HB3  ALA   8           HB3      ALA   8  11.963   3.206  -2.012
   55    H    TYR   9           HN       TYR   9   9.188   0.594  -3.564
   56    HA   TYR   9           HA       TYR   9   8.340  -1.677  -2.119
   57    HB2  TYR   9           HB2      TYR   9   7.366  -1.119  -4.275
   58    HB3  TYR   9           HB1      TYR   9   8.924  -1.356  -5.068
   59    HD1  TYR   9           HD1      TYR   9   6.425  -3.134  -2.921
   60    HD2  TYR   9           HD2      TYR   9   9.522  -3.486  -5.883
   61    HE1  TYR   9           HE1      TYR   9   5.931  -5.551  -3.154
   62    HE2  TYR   9           HE2      TYR   9   9.020  -5.901  -6.112
   63    HH   TYR   9           HH       TYR   9   7.853  -7.717  -4.304
   64    H    ASN  10           HN       ASN  10   9.360  -3.461  -1.478
   65    HA   ASN  10           HA       ASN  10  12.130  -3.879  -2.399
   66    HB2  ASN  10           HB2      ASN  10  10.892  -3.974   0.252
   67    HB3  ASN  10           HB1      ASN  10  11.918  -5.358  -0.120
   68   HD21  ASN  10          HD21      ASN  10  14.141  -5.052   0.018
   69   HD22  ASN  10          HD22      ASN  10  14.890  -3.544   0.180
   70    HA   PRO  11           HA       PRO  11  10.039  -7.598  -3.956
   71    HB2  PRO  11           HB2      PRO  11  12.069  -8.497  -5.560
   72    HB3  PRO  11           HB1      PRO  11  10.921  -7.238  -6.045
   73    HG2  PRO  11           HG2      PRO  11  13.732  -6.996  -5.175
   74    HG3  PRO  11           HG1      PRO  11  12.796  -5.995  -6.299
   75    HD2  PRO  11           HD2      PRO  11  13.397  -5.325  -3.658
   76    HD3  PRO  11           HD1      PRO  11  12.129  -4.568  -4.641
   77    H    VAL  12           HN       VAL  12  13.286  -7.428  -2.632
   78    HA   VAL  12           HA       VAL  12  13.667 -10.190  -2.132
   79    HB   VAL  12           HB       VAL  12  14.831  -7.725  -0.827
   80   HG11  VAL  12          HG11      VAL  12  15.323  -9.211   0.845
   81   HG12  VAL  12          HG12      VAL  12  16.596  -9.703  -0.274
   82   HG13  VAL  12          HG13      VAL  12  15.088 -10.616  -0.195
   83   HG21  VAL  12          HG21      VAL  12  16.640  -8.023  -2.291
   84   HG22  VAL  12          HG22      VAL  12  15.266  -8.450  -3.311
   85   HG23  VAL  12          HG23      VAL  12  16.250  -9.718  -2.580
   86    H    LEU  13           HN       LEU  13  12.385  -7.547  -0.121
   87    HA   LEU  13           HA       LEU  13  11.816  -9.360   2.073
   88    HB2  LEU  13           HB2      LEU  13  11.008  -6.462   1.704
   89    HB3  LEU  13           HB1      LEU  13  10.927  -7.389   3.199
   90    HG   LEU  13           HG       LEU  13  13.464  -6.765   1.661
   91   HD11  LEU  13          HD11      LEU  13  12.118  -5.547   4.057
   92   HD12  LEU  13          HD12      LEU  13  12.893  -4.747   2.689
   93   HD13  LEU  13          HD13      LEU  13  13.877  -5.519   3.932
   94   HD21  LEU  13          HD21      LEU  13  13.990  -8.745   2.761
   95   HD22  LEU  13          HD22      LEU  13  12.824  -8.459   4.053
   96   HD23  LEU  13          HD23      LEU  13  14.351  -7.577   4.033
   97    H    GLY  14           HN       GLY  14  10.205  -8.131  -0.721
   98    HA2  GLY  14           HA2      GLY  14   8.221  -8.902  -1.659
   99    HA3  GLY  14           HA1      GLY  14   7.901  -9.805  -0.184
  100    H    ILE  15           HN       ILE  15   8.637  -6.684   0.727
  101    HA   ILE  15           HA       ILE  15   5.883  -5.713   0.394
  102    HB   ILE  15           HB       ILE  15   5.432  -5.435   2.636
  103   HG12  ILE  15          HG12      ILE  15   7.378  -4.157   3.331
  104   HG13  ILE  15          HG11      ILE  15   7.207  -5.523   4.424
  105   HG21  ILE  15          HG21      ILE  15   5.668  -7.851   2.039
  106   HG22  ILE  15          HG22      ILE  15   5.929  -7.528   3.752
  107   HG23  ILE  15          HG23      ILE  15   7.308  -7.813   2.689
  108   HD11  ILE  15          HD11      ILE  15   9.312  -4.998   2.385
  109   HD12  ILE  15          HD12      ILE  15   8.811  -6.672   2.605
  110   HD13  ILE  15          HD13      ILE  15   9.437  -5.756   3.970
  111    H    CYS  16           HN       CYS  16   5.799  -3.400   1.530
  112    HA   CYS  16           HA       CYS  16   7.851  -1.841   0.156
  113    HB2  CYS  16           HB2      CYS  16   5.440  -0.870   1.712
  114    HB3  CYS  16           HB1      CYS  16   6.406   0.058   0.565
  115    H    THR  17           HN       THR  17   9.452  -0.711   1.171
  116    HA   THR  17           HA       THR  17   9.403  -0.617   4.132
  117    HB   THR  17           HB       THR  17  11.835  -0.979   4.119
  118    HG1  THR  17           HG1      THR  17  12.860  -0.803   2.318
  119   HG21  THR  17          HG21      THR  17   9.845  -2.867   3.701
  120   HG22  THR  17          HG22      THR  17  11.502  -3.210   4.204
  121   HG23  THR  17          HG23      THR  17  11.064  -3.285   2.497
  122    H    ILE  18           HN       ILE  18  10.524   1.129   5.100
  123    HA   ILE  18           HA       ILE  18  10.190   3.594   3.702
  124    HB   ILE  18           HB       ILE  18  10.019   3.074   6.257
  125   HG12  ILE  18          HG12      ILE  18  11.489   5.572   5.352
  126   HG13  ILE  18          HG11      ILE  18   9.755   5.328   5.156
  127   HG21  ILE  18          HG21      ILE  18  12.492   2.260   6.154
  128   HG22  ILE  18          HG22      ILE  18  11.991   3.249   7.525
  129   HG23  ILE  18          HG23      ILE  18  12.893   3.976   6.197
  130   HD11  ILE  18          HD11      ILE  18  11.274   5.375   7.778
  131   HD12  ILE  18          HD12      ILE  18   9.558   4.997   7.619
  132   HD13  ILE  18          HD13      ILE  18  10.150   6.603   7.193
  133    H    THR  19           HN       THR  19  11.816   5.180   3.282
  134    HA   THR  19           HA       THR  19  14.540   4.092   2.919
  135    HB   THR  19           HB       THR  19  14.691   5.287   0.781
  136    HG1  THR  19           HG1      THR  19  11.925   5.788   1.095
  137   HG21  THR  19          HG21      THR  19  12.149   3.808   0.411
  138   HG22  THR  19          HG22      THR  19  13.444   2.918   1.213
  139   HG23  THR  19          HG23      THR  19  13.705   3.596  -0.394
  140    H    LEU  20           HN       LEU  20  16.212   5.720   2.859
  141    HA   LEU  20           HA       LEU  20  15.442   8.284   4.110
  142    HB2  LEU  20           HB2      LEU  20  17.449   8.126   5.532
  143    HB3  LEU  20           HB1      LEU  20  16.329   6.800   5.844
  144    HG   LEU  20           HG       LEU  20  17.940   5.846   3.779
  145   HD11  LEU  20          HD11      LEU  20  19.461   7.790   4.238
  146   HD12  LEU  20          HD12      LEU  20  20.227   6.225   4.506
  147   HD13  LEU  20          HD13      LEU  20  19.672   7.181   5.880
  148   HD21  LEU  20          HD21      LEU  20  17.086   4.580   5.719
  149   HD22  LEU  20          HD22      LEU  20  18.202   5.442   6.777
  150   HD23  LEU  20          HD23      LEU  20  18.825   4.350   5.539
  151    H    SER  21           HN       SER  21  17.237   6.584   1.752
  152    HA   SER  21           HA       SER  21  19.350   8.397   1.275
  153    HB2  SER  21           HB2      SER  21  19.362   6.162   0.310
  154    HB3  SER  21           HB1      SER  21  17.912   6.524  -0.620
  155    HG   SER  21           HG       SER  21  20.380   7.922  -0.809
  156    H    ARG  22           HN       ARG  22  19.507  10.221   0.052
  157    HA   ARG  22           HA       ARG  22  17.219  11.093  -1.548
  158    HB2  ARG  22           HB2      ARG  22  16.884  11.954   0.799
  159    HB3  ARG  22           HB1      ARG  22  18.376  12.874   0.605
  160    HG2  ARG  22           HG2      ARG  22  17.382  13.942  -1.438
  161    HG3  ARG  22           HG1      ARG  22  15.864  13.122  -1.073
  162    HD2  ARG  22           HD2      ARG  22  15.722  15.339  -0.142
  163    HD3  ARG  22           HD1      ARG  22  15.917  14.214   1.199
  164    HE   ARG  22           HE       ARG  22  18.012  15.145   1.618
  165   HH11  ARG  22          HH11      ARG  22  19.626  16.707   1.272
  166   HH12  ARG  22          HH12      ARG  22  19.617  17.646  -0.182
  167   HH21  ARG  22          HH21      ARG  22  16.773  16.126  -1.460
  168   HH22  ARG  22          HH22      ARG  22  18.002  17.318  -1.729
  Start of MODEL   11
    1    H    GLN   1           HN       GLN   1   1.139  -4.334  -7.045
    2    HA   GLN   1           HA       GLN   1   1.493  -4.937  -4.285
    3    HB2  GLN   1           HB2      GLN   1   3.903  -4.395  -4.106
    4    HB3  GLN   1           HB1      GLN   1   3.622  -5.871  -5.029
    5    HG2  GLN   1           HG2      GLN   1   5.173  -4.712  -6.360
    6    HG3  GLN   1           HG1      GLN   1   3.631  -4.305  -7.108
    7   HE21  GLN   1          HE21      GLN   1   4.499  -2.245  -7.906
    8   HE22  GLN   1          HE22      GLN   1   4.778  -0.949  -6.846
    9    H    TRP   2           HN       TRP   2   1.457  -3.103  -3.039
   10    HA   TRP   2           HA       TRP   2   1.746  -0.503  -4.393
   11    HB2  TRP   2           HB2      TRP   2  -0.649  -1.023  -4.415
   12    HB3  TRP   2           HB1      TRP   2  -0.612  -1.312  -2.676
   13    HD1  TRP   2           HD1      TRP   2  -0.433   1.478  -5.264
   14    HE1  TRP   2           HE1      TRP   2  -0.731   3.744  -4.069
   15    HE3  TRP   2           HE3      TRP   2  -0.292  -0.065  -0.400
   16    HZ2  TRP   2           HZ2      TRP   2  -0.885   4.766  -1.400
   17    HZ3  TRP   2           HZ3      TRP   2  -0.510   1.572   1.448
   18    HH2  TRP   2           HH2      TRP   2  -0.805   3.984   0.954
   19    H    CYS   3           HN       CYS   3   2.843   0.948  -3.214
   20    HA   CYS   3           HA       CYS   3   3.204   0.413  -0.325
   21    HB2  CYS   3           HB2      CYS   3   5.200   1.590  -2.273
   22    HB3  CYS   3           HB1      CYS   3   5.440   1.451  -0.531
   23    H    GLN   4           HN       GLN   4   3.299   2.183   1.042
   24    HA   GLN   4           HA       GLN   4   1.637   4.377   0.360
   25    HB2  GLN   4           HB2      GLN   4   2.590   5.238   2.652
   26    HB3  GLN   4           HB1      GLN   4   1.544   3.818   2.628
   27    HG2  GLN   4           HG2      GLN   4   3.382   2.324   2.795
   28    HG3  GLN   4           HG1      GLN   4   4.533   3.586   2.392
   29   HE21  GLN   4          HE21      GLN   4   5.364   2.435   4.546
   30   HE22  GLN   4          HE22      GLN   4   4.917   3.232   5.981
   31    HA   PRO   5           HA       PRO   5   4.485   7.373  -1.301
   32    HB2  PRO   5           HB2      PRO   5   3.679   9.274   0.858
   33    HB3  PRO   5           HB1      PRO   5   3.683   9.503  -0.901
   34    HG2  PRO   5           HG2      PRO   5   1.416   9.136   0.397
   35    HG3  PRO   5           HG1      PRO   5   1.688   8.383  -1.185
   36    HD2  PRO   5           HD2      PRO   5   1.757   7.122   1.537
   37    HD3  PRO   5           HD1      PRO   5   1.160   6.473  -0.008
   38    H    GLY   6           HN       GLY   6   6.645   7.765  -1.025
   39    HA2  GLY   6           HA2      GLY   6   8.625   8.321   0.091
   40    HA3  GLY   6           HA1      GLY   6   7.764   8.233   1.622
   41    H    TYR   7           HN       TYR   7   6.984   5.497  -0.083
   42    HA   TYR   7           HA       TYR   7   9.197   3.942   1.129
   43    HB2  TYR   7           HB2      TYR   7   6.257   3.308   0.938
   44    HB3  TYR   7           HB1      TYR   7   7.466   2.082   1.279
   45    HD1  TYR   7           HD1      TYR   7   6.279   5.424   2.466
   46    HD2  TYR   7           HD2      TYR   7   8.205   1.733   3.471
   47    HE1  TYR   7           HE1      TYR   7   6.325   6.098   4.853
   48    HE2  TYR   7           HE2      TYR   7   8.268   2.398   5.849
   49    HH   TYR   7           HH       TYR   7   7.436   3.871   7.364
   50    H    ALA   8           HN       ALA   8  10.080   2.295  -0.061
   51    HA   ALA   8           HA       ALA   8   9.245   2.151  -2.895
   52    HB1  ALA   8           HB1      ALA   8  11.947   1.686  -1.609
   53    HB2  ALA   8           HB2      ALA   8  11.497   3.016  -2.677
   54    HB3  ALA   8           HB3      ALA   8  11.586   1.371  -3.307
   55    H    TYR   9           HN       TYR   9   8.530   0.249  -3.648
   56    HA   TYR   9           HA       TYR   9   8.025  -1.925  -1.915
   57    HB2  TYR   9           HB2      TYR   9   6.665  -1.523  -3.904
   58    HB3  TYR   9           HB1      TYR   9   8.056  -1.842  -4.940
   59    HD1  TYR   9           HD1      TYR   9   5.875  -3.380  -2.330
   60    HD2  TYR   9           HD2      TYR   9   8.638  -4.060  -5.554
   61    HE1  TYR   9           HE1      TYR   9   5.375  -5.807  -2.247
   62    HE2  TYR   9           HE2      TYR   9   8.131  -6.485  -5.468
   63    HH   TYR   9           HH       TYR   9   7.001  -8.092  -4.454
   64    H    ASN  10           HN       ASN  10   9.196  -3.645  -1.361
   65    HA   ASN  10           HA       ASN  10  11.772  -4.061  -2.728
   66    HB2  ASN  10           HB2      ASN  10  11.006  -4.037   0.085
   67    HB3  ASN  10           HB1      ASN  10  11.932  -5.464  -0.379
   68   HD21  ASN  10          HD21      ASN  10  14.147  -5.209  -0.509
   69   HD22  ASN  10          HD22      ASN  10  14.943  -3.719  -0.604
   70    HA   PRO  11           HA       PRO  11   9.551  -7.868  -3.802
   71    HB2  PRO  11           HB2      PRO  11  11.340  -8.820  -5.643
   72    HB3  PRO  11           HB1      PRO  11  10.120  -7.589  -6.008
   73    HG2  PRO  11           HG2      PRO  11  13.023  -7.292  -5.549
   74    HG3  PRO  11           HG1      PRO  11  11.931  -6.354  -6.581
   75    HD2  PRO  11           HD2      PRO  11  12.877  -5.545  -4.089
   76    HD3  PRO  11           HD1      PRO  11  11.462  -4.860  -4.912
   77    H    VAL  12           HN       VAL  12  12.947  -7.620  -2.940
   78    HA   VAL  12           HA       VAL  12  13.423 -10.360  -2.390
   79    HB   VAL  12           HB       VAL  12  14.714  -7.835  -1.338
   80   HG11  VAL  12          HG11      VAL  12  15.194  -9.444   0.328
   81   HG12  VAL  12          HG12      VAL  12  16.582  -9.529  -0.757
   82   HG13  VAL  12          HG13      VAL  12  15.315 -10.752  -0.850
   83   HG21  VAL  12          HG21      VAL  12  14.826  -8.694  -3.833
   84   HG22  VAL  12          HG22      VAL  12  15.962  -9.868  -3.166
   85   HG23  VAL  12          HG23      VAL  12  16.294  -8.141  -3.028
   86    H    LEU  13           HN       LEU  13  12.402  -7.642  -0.330
   87    HA   LEU  13           HA       LEU  13  12.120  -9.354   1.994
   88    HB2  LEU  13           HB2      LEU  13  11.256  -6.481   1.574
   89    HB3  LEU  13           HB1      LEU  13  11.325  -7.326   3.117
   90    HG   LEU  13           HG       LEU  13  13.697  -6.796   1.299
   91   HD11  LEU  13          HD11      LEU  13  14.119  -5.563   3.746
   92   HD12  LEU  13          HD12      LEU  13  12.410  -5.264   3.438
   93   HD13  LEU  13          HD13      LEU  13  13.619  -4.752   2.262
   94   HD21  LEU  13          HD21      LEU  13  14.335  -8.710   2.453
   95   HD22  LEU  13          HD22      LEU  13  13.302  -8.347   3.837
   96   HD23  LEU  13          HD23      LEU  13  14.819  -7.473   3.613
   97    H    GLY  14           HN       GLY  14  10.118  -8.113  -0.568
   98    HA2  GLY  14           HA2      GLY  14   8.013  -8.872  -1.218
   99    HA3  GLY  14           HA1      GLY  14   7.927  -9.825   0.257
  100    H    ILE  15           HN       ILE  15   8.857  -6.749   1.101
  101    HA   ILE  15           HA       ILE  15   6.086  -5.783   1.394
  102    HB   ILE  15           HB       ILE  15   6.736  -4.989   3.716
  103   HG12  ILE  15          HG12      ILE  15   8.556  -6.378   4.788
  104   HG13  ILE  15          HG11      ILE  15   9.017  -6.927   3.181
  105   HG21  ILE  15          HG21      ILE  15   5.241  -6.872   3.410
  106   HG22  ILE  15          HG22      ILE  15   6.373  -7.262   4.704
  107   HG23  ILE  15          HG23      ILE  15   6.601  -7.952   3.097
  108   HD11  ILE  15          HD11      ILE  15   9.884  -4.869   2.578
  109   HD12  ILE  15          HD12      ILE  15  10.191  -4.820   4.311
  110   HD13  ILE  15          HD13      ILE  15   8.799  -3.974   3.641
  111    H    CYS  16           HN       CYS  16   6.128  -3.437   2.263
  112    HA   CYS  16           HA       CYS  16   7.872  -1.927   0.473
  113    HB2  CYS  16           HB2      CYS  16   5.647  -0.988   2.312
  114    HB3  CYS  16           HB1      CYS  16   6.459  -0.015   1.088
  115    H    THR  17           HN       THR  17   9.540  -0.632   1.118
  116    HA   THR  17           HA       THR  17   9.995  -0.329   4.030
  117    HB   THR  17           HB       THR  17  12.405  -0.565   3.616
  118    HG1  THR  17           HG1      THR  17  12.721  -0.006   1.561
  119   HG21  THR  17          HG21      THR  17  12.372  -2.874   3.624
  120   HG22  THR  17          HG22      THR  17  11.218  -2.965   2.293
  121   HG23  THR  17          HG23      THR  17  10.660  -2.554   3.914
  122    H    ILE  18           HN       ILE  18  11.042   1.560   4.694
  123    HA   ILE  18           HA       ILE  18  10.374   3.868   3.151
  124    HB   ILE  18           HB       ILE  18  10.528   3.522   5.753
  125   HG12  ILE  18          HG12      ILE  18  11.550   6.076   4.470
  126   HG13  ILE  18          HG11      ILE  18   9.851   5.619   4.556
  127   HG21  ILE  18          HG21      ILE  18  13.046   2.976   5.431
  128   HG22  ILE  18          HG22      ILE  18  12.592   4.045   6.759
  129   HG23  ILE  18          HG23      ILE  18  13.251   4.721   5.269
  130   HD11  ILE  18          HD11      ILE  18  10.982   5.339   7.168
  131   HD12  ILE  18          HD12      ILE  18   9.716   6.445   6.635
  132   HD13  ILE  18          HD13      ILE  18  11.408   6.934   6.546
  133    H    THR  19           HN       THR  19  11.807   5.469   2.334
  134    HA   THR  19           HA       THR  19  14.577   4.576   1.873
  135    HB   THR  19           HB       THR  19  14.433   5.362  -0.442
  136    HG1  THR  19           HG1      THR  19  12.799   6.510  -1.067
  137   HG21  THR  19          HG21      THR  19  13.436   3.024   0.513
  138   HG22  THR  19          HG22      THR  19  13.517   3.417  -1.205
  139   HG23  THR  19          HG23      THR  19  12.013   3.658  -0.316
  140    H    LEU  20           HN       LEU  20  16.086   6.248   1.672
  141    HA   LEU  20           HA       LEU  20  15.118   8.984   2.121
  142    HB2  LEU  20           HB2      LEU  20  17.072   7.481   3.854
  143    HB3  LEU  20           HB1      LEU  20  16.951   9.237   3.865
  144    HG   LEU  20           HG       LEU  20  14.632   7.353   4.397
  145   HD11  LEU  20          HD11      LEU  20  14.929   8.220   6.775
  146   HD12  LEU  20          HD12      LEU  20  16.513   8.802   6.262
  147   HD13  LEU  20          HD13      LEU  20  16.148   7.077   6.213
  148   HD21  LEU  20          HD21      LEU  20  13.929   9.695   5.522
  149   HD22  LEU  20          HD22      LEU  20  13.559   9.314   3.843
  150   HD23  LEU  20          HD23      LEU  20  14.954  10.318   4.231
  151    H    SER  21           HN       SER  21  16.487  10.600   1.362
  152    HA   SER  21           HA       SER  21  18.128   9.938  -0.842
  153    HB2  SER  21           HB2      SER  21  18.704  12.309  -0.882
  154    HB3  SER  21           HB1      SER  21  16.980  12.117  -0.577
  155    HG   SER  21           HG       SER  21  18.147  13.619   0.832
  156    H    ARG  22           HN       ARG  22  18.760  10.186   2.547
  157    HA   ARG  22           HA       ARG  22  21.495  10.774   2.581
  158    HB2  ARG  22           HB2      ARG  22  20.100  10.663   4.608
  159    HB3  ARG  22           HB1      ARG  22  19.957   8.916   4.413
  160    HG2  ARG  22           HG2      ARG  22  22.356   8.636   4.694
  161    HG3  ARG  22           HG1      ARG  22  22.591  10.383   4.732
  162    HD2  ARG  22           HD2      ARG  22  22.602   9.502   7.013
  163    HD3  ARG  22           HD1      ARG  22  21.176  10.508   6.768
  164    HE   ARG  22           HE       ARG  22  20.603   7.769   6.194
  165   HH11  ARG  22          HH11      ARG  22  19.344   6.636   7.706
  166   HH12  ARG  22          HH12      ARG  22  19.167   7.252   9.315
  167   HH21  ARG  22          HH21      ARG  22  21.151  10.039   8.747
  168   HH22  ARG  22          HH22      ARG  22  20.191   9.179   9.904
  Start of MODEL   12
    1    H    GLN   1           HN       GLN   1   2.383  -5.803  -4.173
    2    HA   GLN   1           HA       GLN   1   0.807  -5.204  -2.591
    3    HB2  GLN   1           HB2      GLN   1   3.255  -5.115  -0.819
    4    HB3  GLN   1           HB1      GLN   1   1.621  -4.793  -0.234
    5    HG2  GLN   1           HG2      GLN   1   0.898  -7.017  -1.015
    6    HG3  GLN   1           HG1      GLN   1   2.529  -7.342  -1.605
    7   HE21  GLN   1          HE21      GLN   1   3.212  -8.966  -0.147
    8   HE22  GLN   1          HE22      GLN   1   3.259  -8.759   1.538
    9    H    TRP   2           HN       TRP   2   0.003  -3.283  -1.488
   10    HA   TRP   2           HA       TRP   2   0.713  -0.895  -2.847
   11    HB2  TRP   2           HB2      TRP   2  -1.557  -1.320  -1.993
   12    HB3  TRP   2           HB1      TRP   2  -0.946  -1.256  -0.340
   13    HD1  TRP   2           HD1      TRP   2  -1.655   0.949  -3.370
   14    HE1  TRP   2           HE1      TRP   2  -1.616   3.419  -2.630
   15    HE3  TRP   2           HE3      TRP   2   0.017   0.409   1.425
   16    HZ2  TRP   2           HZ2      TRP   2  -0.962   4.961  -0.312
   17    HZ3  TRP   2           HZ3      TRP   2   0.337   2.392   2.875
   18    HH2  TRP   2           HH2      TRP   2  -0.146   4.665   2.016
   19    H    CYS   3           HN       CYS   3   2.110   0.682  -2.353
   20    HA   CYS   3           HA       CYS   3   3.450   0.585   0.288
   21    HB2  CYS   3           HB2      CYS   3   4.593   1.443  -2.382
   22    HB3  CYS   3           HB1      CYS   3   5.435   1.541  -0.837
   23    H    GLN   4           HN       GLN   4   3.963   2.562   1.259
   24    HA   GLN   4           HA       GLN   4   2.098   4.682   0.802
   25    HB2  GLN   4           HB2      GLN   4   4.085   5.682   2.481
   26    HB3  GLN   4           HB1      GLN   4   2.591   4.902   2.997
   27    HG2  GLN   4           HG2      GLN   4   5.132   3.387   2.360
   28    HG3  GLN   4           HG1      GLN   4   4.712   3.931   3.982
   29   HE21  GLN   4          HE21      GLN   4   4.563   1.238   2.051
   30   HE22  GLN   4          HE22      GLN   4   3.205   0.479   2.731
   31    HA   PRO   5           HA       PRO   5   4.411   7.233  -1.927
   32    HB2  PRO   5           HB2      PRO   5   4.177   9.740  -0.792
   33    HB3  PRO   5           HB1      PRO   5   2.890   8.946  -1.718
   34    HG2  PRO   5           HG2      PRO   5   3.238   9.171   1.228
   35    HG3  PRO   5           HG1      PRO   5   1.761   9.264   0.254
   36    HD2  PRO   5           HD2      PRO   5   2.436   7.033   1.653
   37    HD3  PRO   5           HD1      PRO   5   1.544   6.950   0.122
   38    H    GLY   6           HN       GLY   6   6.539   7.774  -2.214
   39    HA2  GLY   6           HA2      GLY   6   8.674   8.576  -1.630
   40    HA3  GLY   6           HA1      GLY   6   8.168   8.638   0.057
   41    H    TYR   7           HN       TYR   7   7.041   5.776  -0.848
   42    HA   TYR   7           HA       TYR   7   9.523   4.329  -0.134
   43    HB2  TYR   7           HB2      TYR   7   6.628   3.774   0.506
   44    HB3  TYR   7           HB1      TYR   7   7.864   2.531   0.639
   45    HD1  TYR   7           HD1      TYR   7   7.212   6.081   1.669
   46    HD2  TYR   7           HD2      TYR   7   9.021   2.316   2.655
   47    HE1  TYR   7           HE1      TYR   7   7.872   6.976   3.886
   48    HE2  TYR   7           HE2      TYR   7   9.692   3.209   4.862
   49    HH   TYR   7           HH       TYR   7   8.842   6.539   5.829
   50    H    ALA   8           HN       ALA   8  10.096   2.527  -1.305
   51    HA   ALA   8           HA       ALA   8   8.578   2.074  -3.805
   52    HB1  ALA   8           HB1      ALA   8  10.734   2.929  -4.359
   53    HB2  ALA   8           HB2      ALA   8  10.802   1.194  -4.657
   54    HB3  ALA   8           HB3      ALA   8  11.529   1.866  -3.199
   55    H    TYR   9           HN       TYR   9   7.847   0.073  -4.236
   56    HA   TYR   9           HA       TYR   9   7.763  -1.898  -2.218
   57    HB2  TYR   9           HB2      TYR   9   6.036  -1.750  -3.935
   58    HB3  TYR   9           HB1      TYR   9   7.217  -2.156  -5.181
   59    HD1  TYR   9           HD1      TYR   9   5.739  -3.439  -1.990
   60    HD2  TYR   9           HD2      TYR   9   7.656  -4.414  -5.715
   61    HE1  TYR   9           HE1      TYR   9   5.356  -5.851  -1.559
   62    HE2  TYR   9           HE2      TYR   9   7.268  -6.822  -5.279
   63    HH   TYR   9           HH       TYR   9   5.358  -8.126  -3.716
   64    H    ASN  10           HN       ASN  10   9.077  -3.524  -1.709
   65    HA   ASN  10           HA       ASN  10  11.354  -4.075  -3.497
   66    HB2  ASN  10           HB2      ASN  10  11.155  -3.707  -0.602
   67    HB3  ASN  10           HB1      ASN  10  12.072  -5.132  -1.088
   68   HD21  ASN  10          HD21      ASN  10  14.178  -4.797  -1.777
   69   HD22  ASN  10          HD22      ASN  10  14.830  -3.285  -2.172
   70    HA   PRO  11           HA       PRO  11   9.125  -8.030  -3.567
   71    HB2  PRO  11           HB2      PRO  11  10.505  -9.180  -5.632
   72    HB3  PRO  11           HB1      PRO  11   9.177  -8.029  -5.863
   73    HG2  PRO  11           HG2      PRO  11  12.092  -7.624  -6.112
   74    HG3  PRO  11           HG1      PRO  11  10.756  -6.846  -6.976
   75    HD2  PRO  11           HD2      PRO  11  12.196  -5.708  -4.877
   76    HD3  PRO  11           HD1      PRO  11  10.611  -5.152  -5.443
   77    H    VAL  12           HN       VAL  12  12.610  -7.604  -3.551
   78    HA   VAL  12           HA       VAL  12  13.338 -10.233  -2.790
   79    HB   VAL  12           HB       VAL  12  14.707  -7.565  -2.402
   80   HG11  VAL  12          HG11      VAL  12  16.705  -9.353  -2.190
   81   HG12  VAL  12          HG12      VAL  12  15.404 -10.314  -1.486
   82   HG13  VAL  12          HG13      VAL  12  15.828  -8.753  -0.782
   83   HG21  VAL  12          HG21      VAL  12  15.421  -9.864  -4.237
   84   HG22  VAL  12          HG22      VAL  12  16.002  -8.200  -4.306
   85   HG23  VAL  12          HG23      VAL  12  14.331  -8.568  -4.734
   86    H    LEU  13           HN       LEU  13  12.661  -7.291  -0.903
   87    HA   LEU  13           HA       LEU  13  13.033  -8.687   1.612
   88    HB2  LEU  13           HB2      LEU  13  11.925  -5.917   1.086
   89    HB3  LEU  13           HB1      LEU  13  12.441  -6.559   2.643
   90    HG   LEU  13           HG       LEU  13  14.230  -6.194   0.223
   91   HD11  LEU  13          HD11      LEU  13  15.281  -4.580   2.080
   92   HD12  LEU  13          HD12      LEU  13  13.602  -4.523   2.613
   93   HD13  LEU  13          HD13      LEU  13  14.024  -4.028   0.974
   94   HD21  LEU  13          HD21      LEU  13  14.598  -7.404   2.947
   95   HD22  LEU  13          HD22      LEU  13  15.949  -6.542   2.212
   96   HD23  LEU  13          HD23      LEU  13  15.243  -7.935   1.395
   97    H    GLY  14           HN       GLY  14  10.456  -7.993  -0.578
   98    HA2  GLY  14           HA2      GLY  14   8.333  -8.945  -0.604
   99    HA3  GLY  14           HA1      GLY  14   8.618  -9.569   1.013
  100    H    ILE  15           HN       ILE  15   9.399  -6.330   1.081
  101    HA   ILE  15           HA       ILE  15   6.638  -5.456   1.587
  102    HB   ILE  15           HB       ILE  15   6.965  -4.790   3.768
  103   HG12  ILE  15          HG12      ILE  15   8.943  -3.403   3.527
  104   HG13  ILE  15          HG11      ILE  15   9.248  -4.560   4.813
  105   HG21  ILE  15          HG21      ILE  15   7.130  -7.269   3.536
  106   HG22  ILE  15          HG22      ILE  15   7.961  -6.652   4.964
  107   HG23  ILE  15          HG23      ILE  15   8.888  -7.119   3.538
  108   HD11  ILE  15          HD11      ILE  15  10.482  -4.383   2.109
  109   HD12  ILE  15          HD12      ILE  15  10.200  -5.996   2.758
  110   HD13  ILE  15          HD13      ILE  15  11.196  -4.852   3.649
  111    H    CYS  16           HN       CYS  16   6.787  -2.986   2.295
  112    HA   CYS  16           HA       CYS  16   8.131  -1.670   0.061
  113    HB2  CYS  16           HB2      CYS  16   6.308  -0.494   2.175
  114    HB3  CYS  16           HB1      CYS  16   6.795   0.268   0.663
  115    H    THR  17           HN       THR  17   9.866  -0.321   0.250
  116    HA   THR  17           HA       THR  17  10.843   0.279   2.980
  117    HB   THR  17           HB       THR  17  13.138  -0.051   2.174
  118    HG1  THR  17           HG1      THR  17  12.485   0.388  -0.069
  119   HG21  THR  17          HG21      THR  17  11.228  -2.017   2.717
  120   HG22  THR  17          HG22      THR  17  12.980  -2.217   2.762
  121   HG23  THR  17          HG23      THR  17  12.085  -2.612   1.295
  122    H    ILE  18           HN       ILE  18  12.148   2.173   3.172
  123    HA   ILE  18           HA       ILE  18  11.183   4.329   1.522
  124    HB   ILE  18           HB       ILE  18  11.719   4.301   4.086
  125   HG12  ILE  18          HG12      ILE  18  12.685   6.639   2.411
  126   HG13  ILE  18          HG11      ILE  18  10.985   6.290   2.711
  127   HG21  ILE  18          HG21      ILE  18  14.393   5.264   3.083
  128   HG22  ILE  18          HG22      ILE  18  14.134   3.569   3.495
  129   HG23  ILE  18          HG23      ILE  18  13.926   4.816   4.723
  130   HD11  ILE  18          HD11      ILE  18  12.729   7.764   4.364
  131   HD12  ILE  18          HD12      ILE  18  12.451   6.235   5.197
  132   HD13  ILE  18          HD13      ILE  18  11.085   7.250   4.738
  133    H    THR  19           HN       THR  19  12.331   5.583   0.089
  134    HA   THR  19           HA       THR  19  14.887   4.443  -0.828
  135    HB   THR  19           HB       THR  19  14.410   5.607  -2.946
  136    HG1  THR  19           HG1      THR  19  12.707   6.905  -1.409
  137   HG21  THR  19          HG21      THR  19  13.080   3.363  -1.864
  138   HG22  THR  19          HG22      THR  19  13.319   3.742  -3.570
  139   HG23  THR  19          HG23      THR  19  11.858   4.282  -2.743
  140    H    LEU  20           HN       LEU  20  13.996   6.660   1.200
  141    HA   LEU  20           HA       LEU  20  15.898   8.733   0.306
  142    HB2  LEU  20           HB2      LEU  20  13.625   9.556   0.736
  143    HB3  LEU  20           HB1      LEU  20  13.678   8.884   2.363
  144    HG   LEU  20           HG       LEU  20  15.574  10.375   2.920
  145   HD11  LEU  20          HD11      LEU  20  15.802  12.308   1.108
  146   HD12  LEU  20          HD12      LEU  20  15.306  11.022   0.008
  147   HD13  LEU  20          HD13      LEU  20  16.763  10.835   0.982
  148   HD21  LEU  20          HD21      LEU  20  13.298  11.929   1.661
  149   HD22  LEU  20          HD22      LEU  20  14.307  12.433   3.015
  150   HD23  LEU  20          HD23      LEU  20  13.174  11.095   3.209
  151    H    SER  21           HN       SER  21  17.816   8.788   1.272
  152    HA   SER  21           HA       SER  21  18.491   7.062   3.436
  153    HB2  SER  21           HB2      SER  21  19.991   9.396   2.229
  154    HB3  SER  21           HB1      SER  21  20.671   8.255   3.385
  155    HG   SER  21           HG       SER  21  20.479   6.643   1.905
  156    H    ARG  22           HN       ARG  22  19.001   7.557   5.577
  157    HA   ARG  22           HA       ARG  22  18.674  10.240   6.604
  158    HB2  ARG  22           HB2      ARG  22  16.316   9.374   6.373
  159    HB3  ARG  22           HB1      ARG  22  16.730   8.122   7.545
  160    HG2  ARG  22           HG2      ARG  22  17.341   9.854   9.191
  161    HG3  ARG  22           HG1      ARG  22  16.933  11.111   8.022
  162    HD2  ARG  22           HD2      ARG  22  15.008   9.036   9.105
  163    HD3  ARG  22           HD1      ARG  22  15.084  10.717   9.612
  164    HE   ARG  22           HE       ARG  22  14.265  11.372   7.459
  165   HH11  ARG  22          HH11      ARG  22  12.802  10.895   5.809
  166   HH12  ARG  22          HH12      ARG  22  12.392   9.248   5.461
  167   HH21  ARG  22          HH21      ARG  22  14.438   7.921   7.915
  168   HH22  ARG  22          HH22      ARG  22  13.311   7.577   6.650
  Start of MODEL   13
    1    H    GLN   1           HN       GLN   1   0.070  -4.428  -6.303
    2    HA   GLN   1           HA       GLN   1   1.924  -4.758  -4.380
    3    HB2  GLN   1           HB2      GLN   1   3.627  -5.623  -5.751
    4    HB3  GLN   1           HB1      GLN   1   3.303  -4.465  -7.041
    5    HG2  GLN   1           HG2      GLN   1   4.137  -3.424  -4.358
    6    HG3  GLN   1           HG1      GLN   1   5.363  -4.125  -5.411
    7   HE21  GLN   1          HE21      GLN   1   4.583  -1.191  -4.594
    8   HE22  GLN   1          HE22      GLN   1   4.573  -0.382  -6.086
    9    H    TRP   2           HN       TRP   2   1.486  -2.979  -3.257
   10    HA   TRP   2           HA       TRP   2   1.734  -0.364  -4.583
   11    HB2  TRP   2           HB2      TRP   2  -0.663  -0.903  -4.588
   12    HB3  TRP   2           HB1      TRP   2  -0.607  -1.188  -2.848
   13    HD1  TRP   2           HD1      TRP   2  -0.432   1.601  -5.444
   14    HE1  TRP   2           HE1      TRP   2  -0.742   3.867  -4.256
   15    HE3  TRP   2           HE3      TRP   2  -0.320   0.064  -0.575
   16    HZ2  TRP   2           HZ2      TRP   2  -0.914   4.893  -1.589
   17    HZ3  TRP   2           HZ3      TRP   2  -0.557   1.706   1.265
   18    HH2  TRP   2           HH2      TRP   2  -0.851   4.114   0.767
   19    H    CYS   3           HN       CYS   3   2.838   1.069  -3.400
   20    HA   CYS   3           HA       CYS   3   3.262   0.484  -0.527
   21    HB2  CYS   3           HB2      CYS   3   5.173   1.767  -2.496
   22    HB3  CYS   3           HB1      CYS   3   5.467   1.581  -0.768
   23    H    GLN   4           HN       GLN   4   3.309   2.238   0.888
   24    HA   GLN   4           HA       GLN   4   1.627   4.438   0.217
   25    HB2  GLN   4           HB2      GLN   4   2.818   5.180   2.563
   26    HB3  GLN   4           HB1      GLN   4   1.412   4.126   2.463
   27    HG2  GLN   4           HG2      GLN   4   4.211   3.021   2.305
   28    HG3  GLN   4           HG1      GLN   4   3.439   3.325   3.858
   29   HE21  GLN   4          HE21      GLN   4   4.159   0.685   2.567
   30   HE22  GLN   4          HE22      GLN   4   2.701  -0.183   2.506
   31    HA   PRO   5           HA       PRO   5   4.563   7.344  -1.282
   32    HB2  PRO   5           HB2      PRO   5   3.873   9.657   0.076
   33    HB3  PRO   5           HB1      PRO   5   3.004   9.029  -1.337
   34    HG2  PRO   5           HG2      PRO   5   2.338   8.797   1.553
   35    HG3  PRO   5           HG1      PRO   5   1.269   9.045   0.162
   36    HD2  PRO   5           HD2      PRO   5   1.527   6.626   1.362
   37    HD3  PRO   5           HD1      PRO   5   1.227   6.777  -0.378
   38    H    GLY   6           HN       GLY   6   6.642   7.940  -0.808
   39    HA2  GLY   6           HA2      GLY   6   8.443   8.659   0.534
   40    HA3  GLY   6           HA1      GLY   6   7.445   8.420   1.966
   41    H    TYR   7           HN       TYR   7   6.833   5.750   0.293
   42    HA   TYR   7           HA       TYR   7   9.074   4.226   1.483
   43    HB2  TYR   7           HB2      TYR   7   6.160   3.529   1.131
   44    HB3  TYR   7           HB1      TYR   7   7.384   2.312   1.464
   45    HD1  TYR   7           HD1      TYR   7   6.157   5.625   2.735
   46    HD2  TYR   7           HD2      TYR   7   7.939   1.837   3.681
   47    HE1  TYR   7           HE1      TYR   7   6.072   6.184   5.150
   48    HE2  TYR   7           HE2      TYR   7   7.869   2.396   6.089
   49    HH   TYR   7           HH       TYR   7   7.388   3.953   7.601
   50    H    ALA   8           HN       ALA   8  10.050   2.628   0.270
   51    HA   ALA   8           HA       ALA   8   9.355   2.598  -2.607
   52    HB1  ALA   8           HB1      ALA   8  12.023   2.041  -1.286
   53    HB2  ALA   8           HB2      ALA   8  11.586   3.536  -2.111
   54    HB3  ALA   8           HB3      ALA   8  11.704   2.029  -3.019
   55    H    TYR   9           HN       TYR   9   8.844   0.699  -3.539
   56    HA   TYR   9           HA       TYR   9   8.253  -1.567  -1.963
   57    HB2  TYR   9           HB2      TYR   9   7.094  -1.134  -4.069
   58    HB3  TYR   9           HB1      TYR   9   8.602  -1.351  -4.959
   59    HD1  TYR   9           HD1      TYR   9   6.287  -3.099  -2.600
   60    HD2  TYR   9           HD2      TYR   9   9.284  -3.505  -5.656
   61    HE1  TYR   9           HE1      TYR   9   5.889  -5.544  -2.667
   62    HE2  TYR   9           HE2      TYR   9   8.880  -5.949  -5.721
   63    HH   TYR   9           HH       TYR   9   7.844  -7.694  -3.747
   64    H    ASN  10           HN       ASN  10   9.424  -3.270  -1.354
   65    HA   ASN  10           HA       ASN  10  12.146  -3.536  -2.454
   66    HB2  ASN  10           HB2      ASN  10  11.088  -3.656   0.273
   67    HB3  ASN  10           HB1      ASN  10  12.183  -4.972  -0.141
   68   HD21  ASN  10          HD21      ASN  10  14.380  -4.511  -0.135
   69   HD22  ASN  10          HD22      ASN  10  15.030  -2.952  -0.056
   70    HA   PRO  11           HA       PRO  11  10.219  -7.426  -3.792
   71    HB2  PRO  11           HB2      PRO  11  12.183  -8.219  -5.523
   72    HB3  PRO  11           HB1      PRO  11  10.932  -7.039  -5.945
   73    HG2  PRO  11           HG2      PRO  11  13.774  -6.613  -5.256
   74    HG3  PRO  11           HG1      PRO  11  12.716  -5.699  -6.345
   75    HD2  PRO  11           HD2      PRO  11  13.426  -4.924  -3.763
   76    HD3  PRO  11           HD1      PRO  11  12.051  -4.278  -4.678
   77    H    VAL  12           HN       VAL  12  13.522  -6.990  -2.690
   78    HA   VAL  12           HA       VAL  12  14.147  -9.702  -2.167
   79    HB   VAL  12           HB       VAL  12  15.190  -7.124  -0.982
   80   HG11  VAL  12          HG11      VAL  12  17.137  -8.952  -0.511
   81   HG12  VAL  12          HG12      VAL  12  15.710  -9.967  -0.306
   82   HG13  VAL  12          HG13      VAL  12  15.911  -8.520   0.682
   83   HG21  VAL  12          HG21      VAL  12  16.974  -8.806  -2.569
   84   HG22  VAL  12          HG22      VAL  12  16.592  -7.095  -2.757
   85   HG23  VAL  12          HG23      VAL  12  15.544  -8.317  -3.479
   86    H    LEU  13           HN       LEU  13  12.782  -7.120  -0.134
   87    HA   LEU  13           HA       LEU  13  12.483  -8.920   2.126
   88    HB2  LEU  13           HB2      LEU  13  11.457  -6.093   1.756
   89    HB3  LEU  13           HB1      LEU  13  11.532  -6.989   3.271
   90    HG   LEU  13           HG       LEU  13  13.923  -6.233   1.567
   91   HD11  LEU  13          HD11      LEU  13  14.211  -5.049   4.034
   92   HD12  LEU  13          HD12      LEU  13  12.476  -4.898   3.753
   93   HD13  LEU  13          HD13      LEU  13  13.619  -4.232   2.586
   94   HD21  LEU  13          HD21      LEU  13  14.632  -8.155   2.677
   95   HD22  LEU  13          HD22      LEU  13  13.546  -7.892   4.042
   96   HD23  LEU  13          HD23      LEU  13  15.014  -6.927   3.883
   97    H    GLY  14           HN       GLY  14  10.621  -7.858  -0.580
   98    HA2  GLY  14           HA2      GLY  14   8.640  -8.783  -1.377
   99    HA3  GLY  14           HA1      GLY  14   8.471  -9.663   0.133
  100    H    ILE  15           HN       ILE  15   9.056  -6.487   0.945
  101    HA   ILE  15           HA       ILE  15   6.230  -5.698   0.757
  102    HB   ILE  15           HB       ILE  15   5.900  -5.390   3.017
  103   HG12  ILE  15          HG12      ILE  15   7.799  -3.979   3.563
  104   HG13  ILE  15          HG11      ILE  15   7.783  -5.325   4.693
  105   HG21  ILE  15          HG21      ILE  15   7.924  -7.642   3.027
  106   HG22  ILE  15          HG22      ILE  15   6.266  -7.803   2.446
  107   HG23  ILE  15          HG23      ILE  15   6.574  -7.420   4.140
  108   HD11  ILE  15          HD11      ILE  15   9.992  -5.428   4.100
  109   HD12  ILE  15          HD12      ILE  15   9.718  -4.717   2.513
  110   HD13  ILE  15          HD13      ILE  15   9.341  -6.415   2.796
  111    H    CYS  16           HN       CYS  16   6.089  -3.364   1.887
  112    HA   CYS  16           HA       CYS  16   7.950  -1.719   0.341
  113    HB2  CYS  16           HB2      CYS  16   5.544  -0.888   1.984
  114    HB3  CYS  16           HB1      CYS  16   6.411   0.104   0.815
  115    H    THR  17           HN       THR  17   9.521  -0.458   1.233
  116    HA   THR  17           HA       THR  17   9.614  -0.262   4.185
  117    HB   THR  17           HB       THR  17  12.058  -0.491   4.063
  118    HG1  THR  17           HG1      THR  17  11.475  -0.840   1.320
  119   HG21  THR  17          HG21      THR  17  10.125  -2.498   3.725
  120   HG22  THR  17          HG22      THR  17  11.770  -2.703   4.326
  121   HG23  THR  17          HG23      THR  17  11.427  -2.912   2.609
  122    H    ILE  18           HN       ILE  18  10.639   1.579   5.038
  123    HA   ILE  18           HA       ILE  18  10.125   3.965   3.557
  124    HB   ILE  18           HB       ILE  18  10.057   3.509   6.141
  125   HG12  ILE  18          HG12      ILE  18  11.259   6.089   5.086
  126   HG13  ILE  18          HG11      ILE  18   9.548   5.681   4.979
  127   HG21  ILE  18          HG21      ILE  18  12.583   2.909   5.998
  128   HG22  ILE  18          HG22      ILE  18  12.040   3.920   7.339
  129   HG23  ILE  18          HG23      ILE  18  12.838   4.653   5.947
  130   HD11  ILE  18          HD11      ILE  18   9.213   6.366   7.088
  131   HD12  ILE  18          HD12      ILE  18  10.900   6.872   7.168
  132   HD13  ILE  18          HD13      ILE  18  10.442   5.245   7.674
  133    H    THR  19           HN       THR  19  11.638   5.605   2.993
  134    HA   THR  19           HA       THR  19  14.414   4.654   2.617
  135    HB   THR  19           HB       THR  19  14.442   5.724   0.418
  136    HG1  THR  19           HG1      THR  19  12.769   6.852  -0.297
  137   HG21  THR  19          HG21      THR  19  13.500   3.925  -0.617
  138   HG22  THR  19          HG22      THR  19  11.946   4.154   0.185
  139   HG23  THR  19          HG23      THR  19  13.265   3.346   1.032
  140    H    LEU  20           HN       LEU  20  15.999   6.357   2.446
  141    HA   LEU  20           HA       LEU  20  15.120   8.980   3.457
  142    HB2  LEU  20           HB2      LEU  20  15.907   7.678   5.389
  143    HB3  LEU  20           HB1      LEU  20  17.428   7.354   4.562
  144    HG   LEU  20           HG       LEU  20  17.914   9.785   4.509
  145   HD11  LEU  20          HD11      LEU  20  15.147   9.880   5.637
  146   HD12  LEU  20          HD12      LEU  20  15.934  10.976   4.503
  147   HD13  LEU  20          HD13      LEU  20  16.313  11.065   6.224
  148   HD21  LEU  20          HD21      LEU  20  18.052  10.080   7.055
  149   HD22  LEU  20          HD22      LEU  20  18.829   8.644   6.388
  150   HD23  LEU  20          HD23      LEU  20  17.254   8.512   7.171
  151    H    SER  21           HN       SER  21  18.437   7.876   3.175
  152    HA   SER  21           HA       SER  21  19.201  10.056   1.540
  153    HB2  SER  21           HB2      SER  21  21.360   8.935   1.386
  154    HB3  SER  21           HB1      SER  21  20.754   8.832   3.037
  155    HG   SER  21           HG       SER  21  19.939   6.792   1.382
  156    H    ARG  22           HN       ARG  22  17.908   6.928   0.831
  157    HA   ARG  22           HA       ARG  22  17.492   7.545  -1.907
  158    HB2  ARG  22           HB2      ARG  22  18.991   5.881  -2.922
  159    HB3  ARG  22           HB1      ARG  22  19.909   7.117  -2.064
  160    HG2  ARG  22           HG2      ARG  22  20.071   5.606  -0.098
  161    HG3  ARG  22           HG1      ARG  22  19.211   4.360  -1.004
  162    HD2  ARG  22           HD2      ARG  22  20.989   4.364  -2.710
  163    HD3  ARG  22           HD1      ARG  22  21.849   5.614  -1.815
  164    HE   ARG  22           HE       ARG  22  21.382   3.422  -0.096
  165   HH11  ARG  22          HH11      ARG  22  23.090   1.983   0.320
  166   HH12  ARG  22          HH12      ARG  22  24.432   1.904  -0.771
  167   HH21  ARG  22          HH21      ARG  22  23.179   4.325  -2.913
  168   HH22  ARG  22          HH22      ARG  22  24.484   3.229  -2.601
  Start of MODEL   14
    1    H    GLN   1           HN       GLN   1   2.372  -5.091  -6.231
    2    HA   GLN   1           HA       GLN   1   1.085  -4.989  -4.258
    3    HB2  GLN   1           HB2      GLN   1   2.809  -6.351  -3.084
    4    HB3  GLN   1           HB1      GLN   1   3.734  -4.876  -2.800
    5    HG2  GLN   1           HG2      GLN   1   1.886  -3.916  -1.528
    6    HG3  GLN   1           HG1      GLN   1   0.885  -5.326  -1.872
    7   HE21  GLN   1          HE21      GLN   1   1.160  -4.913   0.779
    8   HE22  GLN   1          HE22      GLN   1   2.303  -5.959   1.471
    9    H    TRP   2           HN       TRP   2   0.160  -3.149  -3.521
   10    HA   TRP   2           HA       TRP   2   1.185  -0.635  -4.361
   11    HB2  TRP   2           HB2      TRP   2  -1.225  -1.078  -4.145
   12    HB3  TRP   2           HB1      TRP   2  -1.038  -1.255  -2.400
   13    HD1  TRP   2           HD1      TRP   2  -0.954   1.354  -5.184
   14    HE1  TRP   2           HE1      TRP   2  -1.101   3.701  -4.128
   15    HE3  TRP   2           HE3      TRP   2  -0.563   0.125  -0.243
   16    HZ2  TRP   2           HZ2      TRP   2  -1.057   4.900  -1.530
   17    HZ3  TRP   2           HZ3      TRP   2  -0.618   1.888   1.498
   18    HH2  TRP   2           HH2      TRP   2  -0.863   4.269   0.863
   19    H    CYS   3           HN       CYS   3   2.422   0.822  -3.345
   20    HA   CYS   3           HA       CYS   3   3.091   0.345  -0.499
   21    HB2  CYS   3           HB2      CYS   3   4.830   1.517  -2.684
   22    HB3  CYS   3           HB1      CYS   3   5.279   1.397  -0.985
   23    H    GLN   4           HN       GLN   4   3.333   2.160   0.827
   24    HA   GLN   4           HA       GLN   4   1.616   4.365   0.217
   25    HB2  GLN   4           HB2      GLN   4   3.115   5.089   2.449
   26    HB3  GLN   4           HB1      GLN   4   1.550   4.282   2.472
   27    HG2  GLN   4           HG2      GLN   4   4.186   2.806   2.285
   28    HG3  GLN   4           HG1      GLN   4   3.370   3.137   3.809
   29   HE21  GLN   4          HE21      GLN   4   3.742   0.727   1.565
   30   HE22  GLN   4          HE22      GLN   4   2.266  -0.084   1.775
   31    HA   PRO   5           HA       PRO   5   4.499   7.198  -1.502
   32    HB2  PRO   5           HB2      PRO   5   3.933   9.548  -0.171
   33    HB3  PRO   5           HB1      PRO   5   2.929   8.882  -1.474
   34    HG2  PRO   5           HG2      PRO   5   2.541   8.746   1.474
   35    HG3  PRO   5           HG1      PRO   5   1.345   8.972   0.185
   36    HD2  PRO   5           HD2      PRO   5   1.704   6.578   1.425
   37    HD3  PRO   5           HD1      PRO   5   1.209   6.695  -0.275
   38    H    GLY   6           HN       GLY   6   6.621   7.734  -1.170
   39    HA2  GLY   6           HA2      GLY   6   8.520   8.438   0.031
   40    HA3  GLY   6           HA1      GLY   6   7.602   8.295   1.528
   41    H    TYR   7           HN       TYR   7   6.788   5.586   0.038
   42    HA   TYR   7           HA       TYR   7   9.029   4.025   1.174
   43    HB2  TYR   7           HB2      TYR   7   6.078   3.434   0.958
   44    HB3  TYR   7           HB1      TYR   7   7.264   2.169   1.257
   45    HD1  TYR   7           HD1      TYR   7   6.343   5.593   2.496
   46    HD2  TYR   7           HD2      TYR   7   7.810   1.679   3.473
   47    HE1  TYR   7           HE1      TYR   7   6.395   6.208   4.898
   48    HE2  TYR   7           HE2      TYR   7   7.874   2.296   5.869
   49    HH   TYR   7           HH       TYR   7   7.189   3.825   7.390
   50    H    ALA   8           HN       ALA   8   9.934   2.396  -0.028
   51    HA   ALA   8           HA       ALA   8   9.140   2.296  -2.876
   52    HB1  ALA   8           HB1      ALA   8  11.416   3.218  -2.378
   53    HB2  ALA   8           HB2      ALA   8  11.440   1.777  -3.397
   54    HB3  ALA   8           HB3      ALA   8  11.844   1.654  -1.685
   55    H    TYR   9           HN       TYR   9   8.589   0.389  -3.750
   56    HA   TYR   9           HA       TYR   9   8.019  -1.841  -2.117
   57    HB2  TYR   9           HB2      TYR   9   6.797  -1.467  -4.182
   58    HB3  TYR   9           HB1      TYR   9   8.278  -1.653  -5.124
   59    HD1  TYR   9           HD1      TYR   9   6.155  -3.457  -2.622
   60    HD2  TYR   9           HD2      TYR   9   8.911  -3.783  -5.906
   61    HE1  TYR   9           HE1      TYR   9   5.812  -5.913  -2.668
   62    HE2  TYR   9           HE2      TYR   9   8.557  -6.234  -5.952
   63    HH   TYR   9           HH       TYR   9   6.097  -7.768  -4.699
   64    H    ASN  10           HN       ASN  10   9.202  -3.523  -1.488
   65    HA   ASN  10           HA       ASN  10  11.887  -3.843  -2.660
   66    HB2  ASN  10           HB2      ASN  10  10.901  -3.898   0.096
   67    HB3  ASN  10           HB1      ASN  10  11.973  -5.235  -0.321
   68   HD21  ASN  10          HD21      ASN  10  14.171  -4.799  -0.352
   69   HD22  ASN  10          HD22      ASN  10  14.842  -3.246  -0.336
   70    HA   PRO  11           HA       PRO  11   9.881  -7.730  -3.880
   71    HB2  PRO  11           HB2      PRO  11  11.814  -8.588  -5.624
   72    HB3  PRO  11           HB1      PRO  11  10.553  -7.423  -6.054
   73    HG2  PRO  11           HG2      PRO  11  13.409  -6.979  -5.463
   74    HG3  PRO  11           HG1      PRO  11  12.312  -6.080  -6.524
   75    HD2  PRO  11           HD2      PRO  11  13.120  -5.276  -3.975
   76    HD3  PRO  11           HD1      PRO  11  11.728  -4.624  -4.861
   77    H    VAL  12           HN       VAL  12  13.213  -7.330  -2.859
   78    HA   VAL  12           HA       VAL  12  13.800 -10.040  -2.292
   79    HB   VAL  12           HB       VAL  12  14.912  -7.458  -1.178
   80   HG11  VAL  12          HG11      VAL  12  16.844  -9.246  -0.670
   81   HG12  VAL  12          HG12      VAL  12  15.450 -10.315  -0.515
   82   HG13  VAL  12          HG13      VAL  12  15.579  -8.881   0.505
   83   HG21  VAL  12          HG21      VAL  12  16.178  -9.468  -3.053
   84   HG22  VAL  12          HG22      VAL  12  16.697  -7.816  -2.726
   85   HG23  VAL  12          HG23      VAL  12  15.219  -8.109  -3.641
   86    H    LEU  13           HN       LEU  13  12.527  -7.391  -0.284
   87    HA   LEU  13           HA       LEU  13  12.242  -9.136   2.020
   88    HB2  LEU  13           HB2      LEU  13  11.259  -6.300   1.606
   89    HB3  LEU  13           HB1      LEU  13  11.341  -7.165   3.139
   90    HG   LEU  13           HG       LEU  13  13.719  -6.487   1.381
   91   HD11  LEU  13          HD11      LEU  13  12.424  -5.176   3.730
   92   HD12  LEU  13          HD12      LEU  13  13.260  -4.451   2.356
   93   HD13  LEU  13          HD13      LEU  13  14.186  -5.182   3.667
   94   HD21  LEU  13          HD21      LEU  13  13.353  -8.092   3.893
   95   HD22  LEU  13          HD22      LEU  13  14.832  -7.155   3.695
   96   HD23  LEU  13          HD23      LEU  13  14.414  -8.397   2.517
   97    H    GLY  14           HN       GLY  14  10.325  -8.075  -0.657
   98    HA2  GLY  14           HA2      GLY  14   8.313  -8.989  -1.392
   99    HA3  GLY  14           HA1      GLY  14   8.171  -9.845   0.136
  100    H    ILE  15           HN       ILE  15   8.815  -6.672   0.899
  101    HA   ILE  15           HA       ILE  15   5.999  -5.841   0.746
  102    HB   ILE  15           HB       ILE  15   5.708  -5.487   3.009
  103   HG12  ILE  15          HG12      ILE  15   7.660  -4.139   3.519
  104   HG13  ILE  15          HG11      ILE  15   7.610  -5.475   4.661
  105   HG21  ILE  15          HG21      ILE  15   6.328  -7.529   4.142
  106   HG22  ILE  15          HG22      ILE  15   7.648  -7.811   3.006
  107   HG23  ILE  15          HG23      ILE  15   5.974  -7.915   2.456
  108   HD11  ILE  15          HD11      ILE  15   9.110  -6.646   2.781
  109   HD12  ILE  15          HD12      ILE  15   9.812  -5.638   4.041
  110   HD13  ILE  15          HD13      ILE  15   9.528  -4.969   2.439
  111    H    CYS  16           HN       CYS  16   5.856  -3.492   1.751
  112    HA   CYS  16           HA       CYS  16   7.745  -1.906   0.192
  113    HB2  CYS  16           HB2      CYS  16   5.392  -0.970   1.855
  114    HB3  CYS  16           HB1      CYS  16   6.242  -0.056   0.609
  115    H    THR  17           HN       THR  17   9.338  -0.641   1.037
  116    HA   THR  17           HA       THR  17   9.473  -0.392   3.985
  117    HB   THR  17           HB       THR  17  11.908  -0.668   3.844
  118    HG1  THR  17           HG1      THR  17  11.501  -1.440   1.160
  119   HG21  THR  17          HG21      THR  17  11.648  -2.895   4.071
  120   HG22  THR  17          HG22      THR  17  11.169  -3.080   2.384
  121   HG23  THR  17          HG23      THR  17   9.967  -2.649   3.600
  122    H    ILE  18           HN       ILE  18  10.581   1.452   4.781
  123    HA   ILE  18           HA       ILE  18  10.066   3.814   3.262
  124    HB   ILE  18           HB       ILE  18  10.036   3.471   5.841
  125   HG12  ILE  18          HG12      ILE  18  11.443   5.921   4.731
  126   HG13  ILE  18          HG11      ILE  18   9.706   5.651   4.608
  127   HG21  ILE  18          HG21      ILE  18  12.533   2.688   5.636
  128   HG22  ILE  18          HG22      ILE  18  12.048   3.683   7.009
  129   HG23  ILE  18          HG23      ILE  18  12.882   4.416   5.639
  130   HD11  ILE  18          HD11      ILE  18   9.381   6.346   6.719
  131   HD12  ILE  18          HD12      ILE  18  11.079   6.819   6.767
  132   HD13  ILE  18          HD13      ILE  18  10.596   5.219   7.326
  133    H    THR  19           HN       THR  19  11.598   5.399   2.580
  134    HA   THR  19           HA       THR  19  14.347   4.401   2.195
  135    HB   THR  19           HB       THR  19  14.336   5.284  -0.085
  136    HG1  THR  19           HG1      THR  19  12.188   6.547   0.814
  137   HG21  THR  19          HG21      THR  19  11.819   3.712  -0.103
  138   HG22  THR  19          HG22      THR  19  13.195   2.964   0.708
  139   HG23  THR  19          HG23      THR  19  13.321   3.442  -0.985
  140    H    LEU  20           HN       LEU  20  15.938   6.004   2.155
  141    HA   LEU  20           HA       LEU  20  15.081   8.768   2.639
  142    HB2  LEU  20           HB2      LEU  20  16.828   7.119   4.460
  143    HB3  LEU  20           HB1      LEU  20  16.801   8.878   4.514
  144    HG   LEU  20           HG       LEU  20  14.354   7.108   4.836
  145   HD11  LEU  20          HD11      LEU  20  14.541   7.953   7.251
  146   HD12  LEU  20          HD12      LEU  20  16.200   8.394   6.847
  147   HD13  LEU  20          HD13      LEU  20  15.687   6.708   6.755
  148   HD21  LEU  20          HD21      LEU  20  14.837  10.054   4.762
  149   HD22  LEU  20          HD22      LEU  20  13.694   9.463   5.966
  150   HD23  LEU  20          HD23      LEU  20  13.421   9.133   4.257
  151    H    SER  21           HN       SER  21  16.554  10.325   1.995
  152    HA   SER  21           HA       SER  21  18.421   9.537  -0.022
  153    HB2  SER  21           HB2      SER  21  18.857  11.895  -0.272
  154    HB3  SER  21           HB1      SER  21  17.127  11.686  -0.022
  155    HG   SER  21           HG       SER  21  17.325  12.425   2.019
  156    H    ARG  22           HN       ARG  22  20.716  10.137  -0.024
  157    HA   ARG  22           HA       ARG  22  21.961   9.382   2.502
  158    HB2  ARG  22           HB2      ARG  22  23.043   9.788  -0.291
  159    HB3  ARG  22           HB1      ARG  22  24.063   9.404   1.096
  160    HG2  ARG  22           HG2      ARG  22  22.780   7.345   1.489
  161    HG3  ARG  22           HG1      ARG  22  21.726   7.731   0.130
  162    HD2  ARG  22           HD2      ARG  22  23.643   7.638  -1.403
  163    HD3  ARG  22           HD1      ARG  22  24.720   7.295  -0.052
  164    HE   ARG  22           HE       ARG  22  23.931   5.098  -0.036
  165   HH11  ARG  22          HH11      ARG  22  22.760   3.382  -0.953
  166   HH12  ARG  22          HH12      ARG  22  21.525   3.710  -2.122
  167   HH21  ARG  22          HH21      ARG  22  21.981   7.147  -2.030
  168   HH22  ARG  22          HH22      ARG  22  21.085   5.842  -2.732
  Start of MODEL   15
    1    H    GLN   1           HN       GLN   1   0.971  -5.512  -4.007
    2    HA   GLN   1           HA       GLN   1   3.028  -4.799  -3.237
    3    HB2  GLN   1           HB2      GLN   1   3.447  -4.690  -6.231
    4    HB3  GLN   1           HB1      GLN   1   4.747  -4.464  -5.059
    5    HG2  GLN   1           HG2      GLN   1   4.400  -6.675  -4.145
    6    HG3  GLN   1           HG1      GLN   1   2.947  -6.899  -5.118
    7   HE21  GLN   1          HE21      GLN   1   5.455  -8.536  -5.168
    8   HE22  GLN   1          HE22      GLN   1   6.019  -8.451  -6.766
    9    H    TRP   2           HN       TRP   2   0.859  -2.812  -3.849
   10    HA   TRP   2           HA       TRP   2   2.077  -0.397  -4.750
   11    HB2  TRP   2           HB2      TRP   2  -0.343  -0.737  -4.854
   12    HB3  TRP   2           HB1      TRP   2  -0.418  -0.850  -3.096
   13    HD1  TRP   2           HD1      TRP   2   0.242   1.654  -5.916
   14    HE1  TRP   2           HE1      TRP   2  -0.048   4.039  -4.979
   15    HE3  TRP   2           HE3      TRP   2  -0.376   0.588  -0.959
   16    HZ2  TRP   2           HZ2      TRP   2  -0.490   5.323  -2.461
   17    HZ3  TRP   2           HZ3      TRP   2  -0.733   2.408   0.684
   18    HH2  TRP   2           HH2      TRP   2  -0.790   4.772  -0.059
   19    H    CYS   3           HN       CYS   3   3.211   1.109  -3.678
   20    HA   CYS   3           HA       CYS   3   3.511   0.794  -0.746
   21    HB2  CYS   3           HB2      CYS   3   5.505   1.902  -2.738
   22    HB3  CYS   3           HB1      CYS   3   5.752   1.769  -1.000
   23    H    GLN   4           HN       GLN   4   3.208   2.543   0.523
   24    HA   GLN   4           HA       GLN   4   1.828   4.792  -0.554
   25    HB2  GLN   4           HB2      GLN   4   1.863   5.602   1.814
   26    HB3  GLN   4           HB1      GLN   4   1.252   3.970   1.645
   27    HG2  GLN   4           HG2      GLN   4   4.161   4.438   2.203
   28    HG3  GLN   4           HG1      GLN   4   2.991   4.461   3.515
   29   HE21  GLN   4          HE21      GLN   4   5.142   2.430   2.968
   30   HE22  GLN   4          HE22      GLN   4   4.331   0.947   2.821
   31    HA   PRO   5           HA       PRO   5   5.097   7.690  -1.394
   32    HB2  PRO   5           HB2      PRO   5   3.834   9.585   0.549
   33    HB3  PRO   5           HB1      PRO   5   4.324   9.859  -1.135
   34    HG2  PRO   5           HG2      PRO   5   1.780   9.572  -0.531
   35    HG3  PRO   5           HG1      PRO   5   2.448   8.813  -1.989
   36    HD2  PRO   5           HD2      PRO   5   1.723   7.546   0.632
   37    HD3  PRO   5           HD1      PRO   5   1.530   6.923  -1.022
   38    H    GLY   6           HN       GLY   6   7.127   8.045  -0.576
   39    HA2  GLY   6           HA2      GLY   6   8.753   8.514   1.064
   40    HA3  GLY   6           HA1      GLY   6   7.542   8.240   2.314
   41    H    TYR   7           HN       TYR   7   6.979   5.746   0.413
   42    HA   TYR   7           HA       TYR   7   9.006   4.006   1.688
   43    HB2  TYR   7           HB2      TYR   7   6.079   3.527   1.121
   44    HB3  TYR   7           HB1      TYR   7   7.202   2.218   1.467
   45    HD1  TYR   7           HD1      TYR   7   6.074   5.533   2.828
   46    HD2  TYR   7           HD2      TYR   7   7.620   1.620   3.686
   47    HE1  TYR   7           HE1      TYR   7   5.874   5.982   5.259
   48    HE2  TYR   7           HE2      TYR   7   7.434   2.071   6.111
   49    HH   TYR   7           HH       TYR   7   6.344   5.241   7.309
   50    H    ALA   8           HN       ALA   8  10.033   2.520   0.441
   51    HA   ALA   8           HA       ALA   8   9.462   2.602  -2.462
   52    HB1  ALA   8           HB1      ALA   8  11.649   3.520  -1.975
   53    HB2  ALA   8           HB2      ALA   8  11.858   1.941  -2.732
   54    HB3  ALA   8           HB3      ALA   8  12.060   2.117  -0.988
   55    H    TYR   9           HN       TYR   9   9.008   0.744  -3.490
   56    HA   TYR   9           HA       TYR   9   8.331  -1.578  -2.044
   57    HB2  TYR   9           HB2      TYR   9   7.315  -1.070  -4.208
   58    HB3  TYR   9           HB1      TYR   9   8.879  -1.261  -5.003
   59    HD1  TYR   9           HD1      TYR   9   6.451  -3.084  -2.816
   60    HD2  TYR   9           HD2      TYR   9   9.574  -3.389  -5.757
   61    HE1  TYR   9           HE1      TYR   9   6.064  -5.525  -2.975
   62    HE2  TYR   9           HE2      TYR   9   9.177  -5.829  -5.917
   63    HH   TYR   9           HH       TYR   9   7.192  -7.406  -5.465
   64    H    ASN  10           HN       ASN  10   9.455  -3.306  -1.431
   65    HA   ASN  10           HA       ASN  10  12.240  -3.548  -2.366
   66    HB2  ASN  10           HB2      ASN  10  11.028  -3.730   0.285
   67    HB3  ASN  10           HB1      ASN  10  12.094  -5.080  -0.103
   68   HD21  ASN  10          HD21      ASN  10  14.298  -4.713   0.070
   69   HD22  ASN  10          HD22      ASN  10  15.010  -3.184   0.222
   70    HA   PRO  11           HA       PRO  11  10.367  -7.354  -3.985
   71    HB2  PRO  11           HB2      PRO  11  12.448  -8.116  -5.593
   72    HB3  PRO  11           HB1      PRO  11  11.239  -6.911  -6.063
   73    HG2  PRO  11           HG2      PRO  11  14.027  -6.538  -5.164
   74    HG3  PRO  11           HG1      PRO  11  13.053  -5.574  -6.287
   75    HD2  PRO  11           HD2      PRO  11  13.591  -4.900  -3.636
   76    HD3  PRO  11           HD1      PRO  11  12.285  -4.209  -4.618
   77    H    VAL  12           HN       VAL  12  13.586  -7.030  -2.621
   78    HA   VAL  12           HA       VAL  12  14.113  -9.777  -2.168
   79    HB   VAL  12           HB       VAL  12  15.121  -7.276  -0.801
   80   HG11  VAL  12          HG11      VAL  12  16.990  -9.098  -0.207
   81   HG12  VAL  12          HG12      VAL  12  15.596 -10.177  -0.272
   82   HG13  VAL  12          HG13      VAL  12  15.605  -8.816   0.849
   83   HG21  VAL  12          HG21      VAL  12  15.683  -7.726  -3.237
   84   HG22  VAL  12          HG22      VAL  12  16.507  -9.190  -2.700
   85   HG23  VAL  12          HG23      VAL  12  17.078  -7.610  -2.165
   86    H    LEU  13           HN       LEU  13  12.658  -7.244  -0.138
   87    HA   LEU  13           HA       LEU  13  12.150  -9.123   2.018
   88    HB2  LEU  13           HB2      LEU  13  11.220  -6.258   1.687
   89    HB3  LEU  13           HB1      LEU  13  11.161  -7.214   3.166
   90    HG   LEU  13           HG       LEU  13  13.689  -6.454   1.673
   91   HD11  LEU  13          HD11      LEU  13  13.915  -5.316   4.110
   92   HD12  LEU  13          HD12      LEU  13  12.165  -5.238   3.918
   93   HD13  LEU  13          HD13      LEU  13  13.218  -4.475   2.726
   94   HD21  LEU  13          HD21      LEU  13  14.590  -7.265   4.033
   95   HD22  LEU  13          HD22      LEU  13  14.269  -8.434   2.752
   96   HD23  LEU  13          HD23      LEU  13  13.093  -8.197   4.044
   97    H    GLY  14           HN       GLY  14  10.510  -7.878  -0.761
   98    HA2  GLY  14           HA2      GLY  14   8.574  -8.713  -1.745
   99    HA3  GLY  14           HA1      GLY  14   8.279  -9.670  -0.301
  100    H    ILE  15           HN       ILE  15   8.861  -6.560   0.735
  101    HA   ILE  15           HA       ILE  15   6.075  -5.694   0.371
  102    HB   ILE  15           HB       ILE  15   5.569  -5.490   2.613
  103   HG12  ILE  15          HG12      ILE  15   7.465  -4.195   3.396
  104   HG13  ILE  15          HG11      ILE  15   7.306  -5.605   4.435
  105   HG21  ILE  15          HG21      ILE  15   7.494  -7.829   2.592
  106   HG22  ILE  15          HG22      ILE  15   5.851  -7.872   1.951
  107   HG23  ILE  15          HG23      ILE  15   6.118  -7.609   3.674
  108   HD11  ILE  15          HD11      ILE  15   8.977  -6.655   2.627
  109   HD12  ILE  15          HD12      ILE  15   9.557  -5.741   4.015
  110   HD13  ILE  15          HD13      ILE  15   9.428  -4.962   2.443
  111    H    CYS  16           HN       CYS  16   5.843  -3.421   1.528
  112    HA   CYS  16           HA       CYS  16   7.840  -1.732   0.243
  113    HB2  CYS  16           HB2      CYS  16   5.347  -0.979   1.793
  114    HB3  CYS  16           HB1      CYS  16   6.317   0.103   0.796
  115    H    THR  17           HN       THR  17   9.340  -0.489   1.286
  116    HA   THR  17           HA       THR  17   9.308  -0.490   4.245
  117    HB   THR  17           HB       THR  17  11.758  -0.704   4.221
  118    HG1  THR  17           HG1      THR  17  11.550  -1.355   1.491
  119   HG21  THR  17          HG21      THR  17  11.193  -3.035   2.589
  120   HG22  THR  17          HG22      THR  17   9.857  -2.695   3.691
  121   HG23  THR  17          HG23      THR  17  11.485  -2.934   4.325
  122    H    ILE  18           HN       ILE  18  10.328   1.305   5.248
  123    HA   ILE  18           HA       ILE  18   9.871   3.766   3.853
  124    HB   ILE  18           HB       ILE  18   9.624   3.210   6.401
  125   HG12  ILE  18          HG12      ILE  18  10.948   5.810   5.562
  126   HG13  ILE  18          HG11      ILE  18   9.244   5.446   5.301
  127   HG21  ILE  18          HG21      ILE  18  11.525   3.515   7.751
  128   HG22  ILE  18          HG22      ILE  18  12.430   4.307   6.460
  129   HG23  ILE  18          HG23      ILE  18  12.148   2.567   6.400
  130   HD11  ILE  18          HD11      ILE  18   9.431   6.721   7.349
  131   HD12  ILE  18          HD12      ILE  18  10.670   5.629   7.966
  132   HD13  ILE  18          HD13      ILE  18   9.013   5.060   7.770
  133    H    THR  19           HN       THR  19  11.397   5.399   3.388
  134    HA   THR  19           HA       THR  19  14.209   4.508   3.241
  135    HB   THR  19           HB       THR  19  14.394   5.566   1.037
  136    HG1  THR  19           HG1      THR  19  12.896   7.100   0.948
  137   HG21  THR  19          HG21      THR  19  11.981   3.891   0.642
  138   HG22  THR  19          HG22      THR  19  13.289   3.148   1.563
  139   HG23  THR  19          HG23      THR  19  13.587   3.740  -0.071
  140    H    LEU  20           HN       LEU  20  15.756   6.219   3.241
  141    HA   LEU  20           HA       LEU  20  14.728   8.752   4.373
  142    HB2  LEU  20           HB2      LEU  20  15.906   7.387   6.047
  143    HB3  LEU  20           HB1      LEU  20  17.319   7.315   4.999
  144    HG   LEU  20           HG       LEU  20  17.530   9.782   5.117
  145   HD11  LEU  20          HD11      LEU  20  16.079  10.732   7.140
  146   HD12  LEU  20          HD12      LEU  20  14.974   9.453   6.637
  147   HD13  LEU  20          HD13      LEU  20  15.444  10.712   5.494
  148   HD21  LEU  20          HD21      LEU  20  18.898   9.168   6.808
  149   HD22  LEU  20          HD22      LEU  20  17.770   7.934   7.366
  150   HD23  LEU  20          HD23      LEU  20  17.581   9.605   7.896
  151    H    SER  21           HN       SER  21  17.162   7.204   2.344
  152    HA   SER  21           HA       SER  21  17.370   9.622   0.738
  153    HB2  SER  21           HB2      SER  21  19.785   9.796   0.921
  154    HB3  SER  21           HB1      SER  21  19.076   9.923   2.528
  155    HG   SER  21           HG       SER  21  20.150   8.206   3.051
  156    H    ARG  22           HN       ARG  22  18.618   9.241  -1.254
  157    HA   ARG  22           HA       ARG  22  18.267   6.465  -2.148
  158    HB2  ARG  22           HB2      ARG  22  17.211   8.316  -3.445
  159    HB3  ARG  22           HB1      ARG  22  18.822   8.943  -3.793
  160    HG2  ARG  22           HG2      ARG  22  19.426   6.829  -4.893
  161    HG3  ARG  22           HG1      ARG  22  17.833   6.170  -4.520
  162    HD2  ARG  22           HD2      ARG  22  16.788   7.980  -5.851
  163    HD3  ARG  22           HD1      ARG  22  18.390   8.595  -6.251
  164    HE   ARG  22           HE       ARG  22  17.112   6.236  -7.365
  165   HH11  ARG  22          HH11      ARG  22  18.259   5.238  -9.053
  166   HH12  ARG  22          HH12      ARG  22  19.910   5.670  -9.343
  167   HH21  ARG  22          HH21      ARG  22  20.040   7.976  -6.757
  168   HH22  ARG  22          HH22      ARG  22  20.919   7.219  -8.043
  Start of MODEL   16
    1    H    GLN   1           HN       GLN   1  -0.811  -5.115  -4.976
    2    HA   GLN   1           HA       GLN   1  -0.366  -4.389  -2.821
    3    HB2  GLN   1           HB2      GLN   1   2.466  -4.626  -3.865
    4    HB3  GLN   1           HB1      GLN   1   1.984  -4.631  -2.168
    5    HG2  GLN   1           HG2      GLN   1   2.196  -6.922  -2.709
    6    HG3  GLN   1           HG1      GLN   1   0.463  -6.616  -2.799
    7   HE21  GLN   1          HE21      GLN   1  -0.210  -7.976  -4.496
    8   HE22  GLN   1          HE22      GLN   1   0.469  -7.961  -6.052
    9    H    TRP   2           HN       TRP   2  -1.216  -2.307  -2.855
   10    HA   TRP   2           HA       TRP   2   0.155  -0.045  -3.902
   11    HB2  TRP   2           HB2      TRP   2  -2.268  -0.045  -3.550
   12    HB3  TRP   2           HB1      TRP   2  -2.028  -0.215  -1.812
   13    HD1  TRP   2           HD1      TRP   2  -1.580   2.286  -4.671
   14    HE1  TRP   2           HE1      TRP   2  -1.320   4.647  -3.666
   15    HE3  TRP   2           HE3      TRP   2  -1.329   1.110   0.291
   16    HZ2  TRP   2           HZ2      TRP   2  -1.046   5.873  -1.096
   17    HZ3  TRP   2           HZ3      TRP   2  -1.071   2.891   1.995
   18    HH2  TRP   2           HH2      TRP   2  -0.928   5.268   1.309
   19    H    CYS   3           HN       CYS   3   1.740   1.143  -3.071
   20    HA   CYS   3           HA       CYS   3   2.411   0.811  -0.211
   21    HB2  CYS   3           HB2      CYS   3   4.272   1.149  -2.577
   22    HB3  CYS   3           HB1      CYS   3   4.802   1.184  -0.888
   23    H    GLN   4           HN       GLN   4   2.402   2.587   0.957
   24    HA   GLN   4           HA       GLN   4   1.464   5.040   0.113
   25    HB2  GLN   4           HB2      GLN   4   2.674   5.876   2.271
   26    HB3  GLN   4           HB1      GLN   4   1.390   4.685   2.429
   27    HG2  GLN   4           HG2      GLN   4   4.236   3.789   2.080
   28    HG3  GLN   4           HG1      GLN   4   3.673   4.311   3.665
   29   HE21  GLN   4          HE21      GLN   4   4.440   1.545   2.798
   30   HE22  GLN   4          HE22      GLN   4   3.067   0.586   3.079
   31    HA   PRO   5           HA       PRO   5   4.847   7.012  -1.907
   32    HB2  PRO   5           HB2      PRO   5   4.603   9.614  -1.015
   33    HB3  PRO   5           HB1      PRO   5   3.592   8.898  -2.285
   34    HG2  PRO   5           HG2      PRO   5   2.993   9.324   0.599
   35    HG3  PRO   5           HG1      PRO   5   1.940   9.510  -0.815
   36    HD2  PRO   5           HD2      PRO   5   1.800   7.341   0.803
   37    HD3  PRO   5           HD1      PRO   5   1.471   7.229  -0.934
   38    H    GLY   6           HN       GLY   6   6.998   7.569  -1.541
   39    HA2  GLY   6           HA2      GLY   6   8.868   8.240  -0.259
   40    HA3  GLY   6           HA1      GLY   6   7.874   8.152   1.195
   41    H    TYR   7           HN       TYR   7   6.989   5.469  -0.291
   42    HA   TYR   7           HA       TYR   7   9.101   3.821   0.958
   43    HB2  TYR   7           HB2      TYR   7   6.156   3.321   0.510
   44    HB3  TYR   7           HB1      TYR   7   7.285   2.042   0.926
   45    HD1  TYR   7           HD1      TYR   7   6.261   5.470   2.054
   46    HD2  TYR   7           HD2      TYR   7   7.692   1.578   3.176
   47    HE1  TYR   7           HE1      TYR   7   6.105   6.101   4.447
   48    HE2  TYR   7           HE2      TYR   7   7.546   2.212   5.566
   49    HH   TYR   7           HH       TYR   7   7.479   5.116   6.699
   50    H    ALA   8           HN       ALA   8   9.933   2.072  -0.195
   51    HA   ALA   8           HA       ALA   8   9.231   1.975  -3.070
   52    HB1  ALA   8           HB1      ALA   8  11.428   3.100  -2.596
   53    HB2  ALA   8           HB2      ALA   8  11.549   1.672  -3.624
   54    HB3  ALA   8           HB3      ALA   8  11.998   1.574  -1.920
   55    H    TYR   9           HN       TYR   9   8.887   0.030  -3.932
   56    HA   TYR   9           HA       TYR   9   8.442  -2.232  -2.335
   57    HB2  TYR   9           HB2      TYR   9   7.363  -1.932  -4.510
   58    HB3  TYR   9           HB1      TYR   9   8.927  -2.086  -5.314
   59    HD1  TYR   9           HD1      TYR   9   6.496  -3.878  -3.134
   60    HD2  TYR   9           HD2      TYR   9   9.882  -4.232  -5.763
   61    HE1  TYR   9           HE1      TYR   9   6.251  -6.344  -3.119
   62    HE2  TYR   9           HE2      TYR   9   9.628  -6.697  -5.747
   63    HH   TYR   9           HH       TYR   9   7.122  -8.290  -5.075
   64    H    ASN  10           HN       ASN  10   9.691  -3.818  -1.620
   65    HA   ASN  10           HA       ASN  10  12.470  -3.941  -2.587
   66    HB2  ASN  10           HB2      ASN  10  11.372  -3.864   0.069
   67    HB3  ASN  10           HB1      ASN  10  12.274  -5.357  -0.176
   68   HD21  ASN  10          HD21      ASN  10  14.475  -5.189   0.135
   69   HD22  ASN  10          HD22      ASN  10  15.364  -3.752   0.025
   70    HA   PRO  11           HA       PRO  11  10.817  -7.931  -3.966
   71    HB2  PRO  11           HB2      PRO  11  12.995  -8.734  -5.430
   72    HB3  PRO  11           HB1      PRO  11  11.747  -7.632  -6.038
   73    HG2  PRO  11           HG2      PRO  11  14.481  -7.048  -5.084
   74    HG3  PRO  11           HG1      PRO  11  13.500  -6.226  -6.308
   75    HD2  PRO  11           HD2      PRO  11  13.919  -5.313  -3.713
   76    HD3  PRO  11           HD1      PRO  11  12.603  -4.780  -4.779
   77    H    VAL  12           HN       VAL  12  13.934  -7.391  -2.458
   78    HA   VAL  12           HA       VAL  12  14.550 -10.078  -1.804
   79    HB   VAL  12           HB       VAL  12  15.337  -7.457  -0.515
   80   HG11  VAL  12          HG11      VAL  12  15.954 -10.304   0.185
   81   HG12  VAL  12          HG12      VAL  12  15.722  -8.916   1.249
   82   HG13  VAL  12          HG13      VAL  12  17.231  -9.100   0.354
   83   HG21  VAL  12          HG21      VAL  12  17.188  -7.518  -1.891
   84   HG22  VAL  12          HG22      VAL  12  16.055  -8.379  -2.933
   85   HG23  VAL  12          HG23      VAL  12  17.212  -9.280  -1.955
   86    H    LEU  13           HN       LEU  13  12.851  -7.503  -0.038
   87    HA   LEU  13           HA       LEU  13  12.214  -9.293   2.167
   88    HB2  LEU  13           HB2      LEU  13  11.311  -6.452   1.622
   89    HB3  LEU  13           HB1      LEU  13  11.089  -7.336   3.129
   90    HG   LEU  13           HG       LEU  13  13.760  -6.643   1.871
   91   HD11  LEU  13          HD11      LEU  13  11.966  -5.211   3.666
   92   HD12  LEU  13          HD12      LEU  13  13.428  -4.643   2.859
   93   HD13  LEU  13          HD13      LEU  13  13.544  -5.485   4.404
   94   HD21  LEU  13          HD21      LEU  13  14.402  -7.336   4.358
   95   HD22  LEU  13          HD22      LEU  13  14.239  -8.560   3.099
   96   HD23  LEU  13          HD23      LEU  13  12.922  -8.286   4.238
   97    H    GLY  14           HN       GLY  14  10.774  -8.150  -0.768
   98    HA2  GLY  14           HA2      GLY  14   8.896  -8.993  -1.857
   99    HA3  GLY  14           HA1      GLY  14   8.517  -9.936  -0.419
  100    H    ILE  15           HN       ILE  15   9.128  -6.884   0.639
  101    HA   ILE  15           HA       ILE  15   6.379  -5.919   0.216
  102    HB   ILE  15           HB       ILE  15   6.338  -5.235   2.650
  103   HG12  ILE  15          HG12      ILE  15   7.820  -6.670   4.133
  104   HG13  ILE  15          HG11      ILE  15   8.738  -7.099   2.693
  105   HG21  ILE  15          HG21      ILE  15   5.678  -7.484   3.411
  106   HG22  ILE  15          HG22      ILE  15   6.492  -8.195   2.017
  107   HG23  ILE  15          HG23      ILE  15   5.081  -7.164   1.783
  108   HD11  ILE  15          HD11      ILE  15   9.689  -5.009   2.512
  109   HD12  ILE  15          HD12      ILE  15   9.429  -5.033   4.254
  110   HD13  ILE  15          HD13      ILE  15   8.292  -4.188   3.207
  111    H    CYS  16           HN       CYS  16   6.177  -3.594   1.092
  112    HA   CYS  16           HA       CYS  16   8.404  -2.088  -0.032
  113    HB2  CYS  16           HB2      CYS  16   5.655  -1.264   0.911
  114    HB3  CYS  16           HB1      CYS  16   6.862  -0.130   0.320
  115    H    THR  17           HN       THR  17   9.695  -0.680   1.037
  116    HA   THR  17           HA       THR  17   9.352  -0.452   3.964
  117    HB   THR  17           HB       THR  17  11.788  -0.623   4.219
  118    HG1  THR  17           HG1      THR  17  11.616  -0.552   1.473
  119   HG21  THR  17          HG21      THR  17  11.650  -2.874   4.368
  120   HG22  THR  17          HG22      THR  17  11.360  -3.051   2.637
  121   HG23  THR  17          HG23      THR  17  10.020  -2.686   3.724
  122    H    ILE  18           HN       ILE  18  10.326   1.459   4.889
  123    HA   ILE  18           HA       ILE  18   9.867   3.781   3.304
  124    HB   ILE  18           HB       ILE  18   9.670   3.472   5.880
  125   HG12  ILE  18          HG12      ILE  18  11.080   5.955   4.850
  126   HG13  ILE  18          HG11      ILE  18   9.368   5.627   4.583
  127   HG21  ILE  18          HG21      ILE  18  11.603   3.829   7.176
  128   HG22  ILE  18          HG22      ILE  18  12.513   4.473   5.810
  129   HG23  ILE  18          HG23      ILE  18  12.169   2.745   5.904
  130   HD11  ILE  18          HD11      ILE  18  10.046   5.248   7.373
  131   HD12  ILE  18          HD12      ILE  18   8.842   6.319   6.656
  132   HD13  ILE  18          HD13      ILE  18  10.511   6.862   6.835
  133    H    THR  19           HN       THR  19  11.329   5.311   2.532
  134    HA   THR  19           HA       THR  19  14.166   4.477   2.460
  135    HB   THR  19           HB       THR  19  14.291   5.279   0.147
  136    HG1  THR  19           HG1      THR  19  11.478   5.549   0.309
  137   HG21  THR  19          HG21      THR  19  13.436   3.350  -0.780
  138   HG22  THR  19          HG22      THR  19  11.910   3.481   0.095
  139   HG23  THR  19          HG23      THR  19  13.356   2.902   0.924
  140    H    LEU  20           HN       LEU  20  15.687   6.191   2.304
  141    HA   LEU  20           HA       LEU  20  14.661   8.901   2.683
  142    HB2  LEU  20           HB2      LEU  20  16.465   9.148   4.529
  143    HB3  LEU  20           HB1      LEU  20  14.920   8.428   4.940
  144    HG   LEU  20           HG       LEU  20  16.921   7.209   5.866
  145   HD11  LEU  20          HD11      LEU  20  14.581   6.162   4.893
  146   HD12  LEU  20          HD12      LEU  20  15.784   5.257   5.803
  147   HD13  LEU  20          HD13      LEU  20  15.787   5.193   4.044
  148   HD21  LEU  20          HD21      LEU  20  18.300   7.611   3.754
  149   HD22  LEU  20          HD22      LEU  20  17.387   6.288   3.027
  150   HD23  LEU  20          HD23      LEU  20  18.387   5.993   4.445
  151    H    SER  21           HN       SER  21  16.538  10.505   2.735
  152    HA   SER  21           HA       SER  21  18.072  10.129   0.351
  153    HB2  SER  21           HB2      SER  21  18.189  12.287   2.468
  154    HB3  SER  21           HB1      SER  21  19.043  12.342   0.929
  155    HG   SER  21           HG       SER  21  16.858  11.972   0.002
  156    H    ARG  22           HN       ARG  22  20.316   9.954   0.121
  157    HA   ARG  22           HA       ARG  22  22.321   8.912   0.613
  158    HB2  ARG  22           HB2      ARG  22  21.990  10.704   3.031
  159    HB3  ARG  22           HB1      ARG  22  23.503   9.953   2.525
  160    HG2  ARG  22           HG2      ARG  22  23.430  11.145   0.396
  161    HG3  ARG  22           HG1      ARG  22  21.857  11.830   0.804
  162    HD2  ARG  22           HD2      ARG  22  23.564  13.493   1.268
  163    HD3  ARG  22           HD1      ARG  22  22.906  12.921   2.797
  164    HE   ARG  22           HE       ARG  22  25.188  11.384   2.071
  165   HH11  ARG  22          HH11      ARG  22  27.125  11.786   3.188
  166   HH12  ARG  22          HH12      ARG  22  27.325  13.271   4.058
  167   HH21  ARG  22          HH21      ARG  22  24.188  14.490   3.221
  168   HH22  ARG  22          HH22      ARG  22  25.663  14.802   4.075
  Start of MODEL   17
    1    H    GLN   1           HN       GLN   1   1.258  -5.639  -5.805
    2    HA   GLN   1           HA       GLN   1   1.106  -5.160  -3.555
    3    HB2  GLN   1           HB2      GLN   1   3.437  -6.317  -3.665
    4    HB3  GLN   1           HB1      GLN   1   4.073  -4.684  -3.486
    5    HG2  GLN   1           HG2      GLN   1   3.891  -5.636  -1.278
    6    HG3  GLN   1           HG1      GLN   1   2.626  -4.422  -1.442
    7   HE21  GLN   1          HE21      GLN   1   3.013  -7.952  -2.144
    8   HE22  GLN   1          HE22      GLN   1   1.486  -8.379  -1.538
    9    H    TRP   2           HN       TRP   2   0.054  -3.273  -3.365
   10    HA   TRP   2           HA       TRP   2   1.050  -0.769  -4.268
   11    HB2  TRP   2           HB2      TRP   2  -1.353  -1.221  -4.023
   12    HB3  TRP   2           HB1      TRP   2  -1.150  -1.372  -2.278
   13    HD1  TRP   2           HD1      TRP   2  -1.114   1.199  -5.097
   14    HE1  TRP   2           HE1      TRP   2  -1.272   3.560  -4.072
   15    HE3  TRP   2           HE3      TRP   2  -0.661   0.041  -0.144
   16    HZ2  TRP   2           HZ2      TRP   2  -1.213   4.793  -1.491
   17    HZ3  TRP   2           HZ3      TRP   2  -0.715   1.827   1.574
   18    HH2  TRP   2           HH2      TRP   2  -0.988   4.198   0.909
   19    H    CYS   3           HN       CYS   3   2.279   0.724  -3.289
   20    HA   CYS   3           HA       CYS   3   2.990   0.296  -0.445
   21    HB2  CYS   3           HB2      CYS   3   4.681   1.475  -2.665
   22    HB3  CYS   3           HB1      CYS   3   5.155   1.373  -0.971
   23    H    GLN   4           HN       GLN   4   3.246   2.142   0.849
   24    HA   GLN   4           HA       GLN   4   1.477   4.310   0.237
   25    HB2  GLN   4           HB2      GLN   4   2.982   5.077   2.449
   26    HB3  GLN   4           HB1      GLN   4   1.430   4.243   2.493
   27    HG2  GLN   4           HG2      GLN   4   4.094   2.814   2.296
   28    HG3  GLN   4           HG1      GLN   4   3.281   3.141   3.825
   29   HE21  GLN   4          HE21      GLN   4   3.681   0.726   1.590
   30   HE22  GLN   4          HE22      GLN   4   2.224  -0.115   1.820
   31    HA   PRO   5           HA       PRO   5   4.300   7.174  -1.530
   32    HB2  PRO   5           HB2      PRO   5   3.715   9.523  -0.208
   33    HB3  PRO   5           HB1      PRO   5   2.713   8.838  -1.500
   34    HG2  PRO   5           HG2      PRO   5   2.338   8.717   1.449
   35    HG3  PRO   5           HG1      PRO   5   1.136   8.913   0.163
   36    HD2  PRO   5           HD2      PRO   5   1.539   6.535   1.424
   37    HD3  PRO   5           HD1      PRO   5   1.030   6.630  -0.272
   38    H    GLY   6           HN       GLY   6   6.416   7.746  -1.222
   39    HA2  GLY   6           HA2      GLY   6   8.316   8.486  -0.041
   40    HA3  GLY   6           HA1      GLY   6   7.414   8.331   1.466
   41    H    TYR   7           HN       TYR   7   6.631   5.607  -0.015
   42    HA   TYR   7           HA       TYR   7   8.911   4.085   1.094
   43    HB2  TYR   7           HB2      TYR   7   5.968   3.442   0.922
   44    HB3  TYR   7           HB1      TYR   7   7.179   2.202   1.211
   45    HD1  TYR   7           HD1      TYR   7   6.200   5.608   2.451
   46    HD2  TYR   7           HD2      TYR   7   7.770   1.733   3.421
   47    HE1  TYR   7           HE1      TYR   7   6.263   6.231   4.851
   48    HE2  TYR   7           HE2      TYR   7   7.845   2.356   5.815
   49    HH   TYR   7           HH       TYR   7   6.247   4.453   7.212
   50    H    ALA   8           HN       ALA   8   9.816   2.458  -0.121
   51    HA   ALA   8           HA       ALA   8   8.960   2.328  -2.952
   52    HB1  ALA   8           HB1      ALA   8  11.709   1.921  -1.750
   53    HB2  ALA   8           HB2      ALA   8  11.179   3.323  -2.679
   54    HB3  ALA   8           HB3      ALA   8  11.307   1.746  -3.459
   55    H    TYR   9           HN       TYR   9   8.451   0.397  -3.799
   56    HA   TYR   9           HA       TYR   9   7.991  -1.838  -2.141
   57    HB2  TYR   9           HB2      TYR   9   6.716  -1.520  -4.182
   58    HB3  TYR   9           HB1      TYR   9   8.182  -1.669  -5.152
   59    HD1  TYR   9           HD1      TYR   9   6.149  -3.514  -2.607
   60    HD2  TYR   9           HD2      TYR   9   8.887  -3.789  -5.910
   61    HE1  TYR   9           HE1      TYR   9   5.884  -5.978  -2.624
   62    HE2  TYR   9           HE2      TYR   9   8.612  -6.249  -5.926
   63    HH   TYR   9           HH       TYR   9   7.601  -7.994  -5.015
   64    H    ASN  10           HN       ASN  10   9.226  -3.488  -1.535
   65    HA   ASN  10           HA       ASN  10  11.896  -3.738  -2.756
   66    HB2  ASN  10           HB2      ASN  10  10.977  -3.772   0.019
   67    HB3  ASN  10           HB1      ASN  10  12.055  -5.104  -0.400
   68   HD21  ASN  10          HD21      ASN  10  14.245  -4.644  -0.460
   69   HD22  ASN  10          HD22      ASN  10  14.898  -3.082  -0.493
   70    HA   PRO  11           HA       PRO  11   9.971  -7.688  -3.897
   71    HB2  PRO  11           HB2      PRO  11  11.920  -8.530  -5.636
   72    HB3  PRO  11           HB1      PRO  11  10.618  -7.415  -6.079
   73    HG2  PRO  11           HG2      PRO  11  13.463  -6.870  -5.535
   74    HG3  PRO  11           HG1      PRO  11  12.321  -6.022  -6.590
   75    HD2  PRO  11           HD2      PRO  11  13.147  -5.158  -4.064
   76    HD3  PRO  11           HD1      PRO  11  11.727  -4.558  -4.940
   77    H    VAL  12           HN       VAL  12  13.311  -7.217  -2.909
   78    HA   VAL  12           HA       VAL  12  13.932  -9.914  -2.304
   79    HB   VAL  12           HB       VAL  12  15.036  -7.304  -1.251
   80   HG11  VAL  12          HG11      VAL  12  15.777  -8.664   0.440
   81   HG12  VAL  12          HG12      VAL  12  16.984  -9.111  -0.765
   82   HG13  VAL  12          HG13      VAL  12  15.571 -10.135  -0.512
   83   HG21  VAL  12          HG21      VAL  12  16.162  -9.354  -3.185
   84   HG22  VAL  12          HG22      VAL  12  16.881  -7.798  -2.768
   85   HG23  VAL  12          HG23      VAL  12  15.369  -7.857  -3.675
   86    H    LEU  13           HN       LEU  13  12.668  -7.245  -0.317
   87    HA   LEU  13           HA       LEU  13  12.445  -8.939   2.024
   88    HB2  LEU  13           HB2      LEU  13  11.380  -6.144   1.544
   89    HB3  LEU  13           HB1      LEU  13  11.493  -6.963   3.099
   90    HG   LEU  13           HG       LEU  13  13.846  -6.286   1.307
   91   HD11  LEU  13          HD11      LEU  13  14.255  -4.912   3.596
   92   HD12  LEU  13          HD12      LEU  13  12.492  -4.892   3.558
   93   HD13  LEU  13          HD13      LEU  13  13.411  -4.226   2.209
   94   HD21  LEU  13          HD21      LEU  13  14.982  -6.839   3.640
   95   HD22  LEU  13          HD22      LEU  13  14.594  -8.134   2.509
   96   HD23  LEU  13          HD23      LEU  13  13.528  -7.808   3.875
   97    H    GLY  14           HN       GLY  14  10.459  -7.983  -0.645
   98    HA2  GLY  14           HA2      GLY  14   8.468  -8.973  -1.336
   99    HA3  GLY  14           HA1      GLY  14   8.371  -9.805   0.209
  100    H    ILE  15           HN       ILE  15   8.929  -6.601   0.916
  101    HA   ILE  15           HA       ILE  15   6.094  -5.846   0.762
  102    HB   ILE  15           HB       ILE  15   5.791  -5.476   3.024
  103   HG12  ILE  15          HG12      ILE  15   7.729  -4.105   3.532
  104   HG13  ILE  15          HG11      ILE  15   7.690  -5.438   4.678
  105   HG21  ILE  15          HG21      ILE  15   6.375  -7.516   4.137
  106   HG22  ILE  15          HG22      ILE  15   7.769  -7.763   3.087
  107   HG23  ILE  15          HG23      ILE  15   6.137  -7.910   2.436
  108   HD11  ILE  15          HD11      ILE  15   9.598  -4.930   2.441
  109   HD12  ILE  15          HD12      ILE  15   9.213  -6.606   2.827
  110   HD13  ILE  15          HD13      ILE  15   9.900  -5.553   4.060
  111    H    CYS  16           HN       CYS  16   5.878  -3.498   1.737
  112    HA   CYS  16           HA       CYS  16   7.709  -1.866   0.167
  113    HB2  CYS  16           HB2      CYS  16   5.375  -0.981   1.882
  114    HB3  CYS  16           HB1      CYS  16   6.176  -0.051   0.616
  115    H    THR  17           HN       THR  17   9.288  -0.566   0.978
  116    HA   THR  17           HA       THR  17   9.482  -0.308   3.920
  117    HB   THR  17           HB       THR  17  11.921  -0.540   3.727
  118    HG1  THR  17           HG1      THR  17  12.828  -0.537   1.843
  119   HG21  THR  17          HG21      THR  17   9.985  -2.557   3.489
  120   HG22  THR  17          HG22      THR  17  11.652  -2.751   4.032
  121   HG23  THR  17          HG23      THR  17  11.246  -2.987   2.332
  122    H    ILE  18           HN       ILE  18  10.598   1.554   4.681
  123    HA   ILE  18           HA       ILE  18  10.013   3.903   3.151
  124    HB   ILE  18           HB       ILE  18  10.019   3.555   5.743
  125   HG12  ILE  18          HG12      ILE  18  11.291   6.057   4.588
  126   HG13  ILE  18          HG11      ILE  18   9.566   5.709   4.507
  127   HG21  ILE  18          HG21      ILE  18  12.049   3.925   6.872
  128   HG22  ILE  18          HG22      ILE  18  12.830   4.597   5.440
  129   HG23  ILE  18          HG23      ILE  18  12.521   2.863   5.545
  130   HD11  ILE  18          HD11      ILE  18   9.268   6.434   6.611
  131   HD12  ILE  18          HD12      ILE  18  10.959   6.935   6.635
  132   HD13  ILE  18          HD13      ILE  18  10.507   5.328   7.207
  133    H    THR  19           HN       THR  19  11.515   5.521   2.488
  134    HA   THR  19           HA       THR  19  14.271   4.540   2.047
  135    HB   THR  19           HB       THR  19  14.231   5.542  -0.185
  136    HG1  THR  19           HG1      THR  19  11.601   6.211   0.601
  137   HG21  THR  19          HG21      THR  19  11.725   3.895  -0.059
  138   HG22  THR  19          HG22      THR  19  13.265   3.165   0.400
  139   HG23  THR  19          HG23      THR  19  13.050   3.822  -1.223
  140    H    LEU  20           HN       LEU  20  15.860   6.216   1.792
  141    HA   LEU  20           HA       LEU  20  15.123   8.950   2.391
  142    HB2  LEU  20           HB2      LEU  20  16.397   9.128   4.442
  143    HB3  LEU  20           HB1      LEU  20  15.181   7.871   4.628
  144    HG   LEU  20           HG       LEU  20  18.108   7.390   3.963
  145   HD11  LEU  20          HD11      LEU  20  18.111   7.978   6.221
  146   HD12  LEU  20          HD12      LEU  20  17.880   6.231   6.299
  147   HD13  LEU  20          HD13      LEU  20  16.501   7.313   6.499
  148   HD21  LEU  20          HD21      LEU  20  17.041   5.533   3.048
  149   HD22  LEU  20          HD22      LEU  20  15.685   5.631   4.171
  150   HD23  LEU  20          HD23      LEU  20  17.237   4.999   4.716
  151    H    SER  21           HN       SER  21  16.962  10.417   2.265
  152    HA   SER  21           HA       SER  21  18.742   9.695   0.149
  153    HB2  SER  21           HB2      SER  21  19.594  11.942   0.350
  154    HB3  SER  21           HB1      SER  21  17.847  12.005   0.551
  155    HG   SER  21           HG       SER  21  19.851  12.593   2.313
  156    H    ARG  22           HN       ARG  22  21.100   9.847   0.268
  157    HA   ARG  22           HA       ARG  22  22.235   9.257   2.918
  158    HB2  ARG  22           HB2      ARG  22  22.687   7.571   0.443
  159    HB3  ARG  22           HB1      ARG  22  23.514   7.367   1.988
  160    HG2  ARG  22           HG2      ARG  22  21.352   6.941   3.094
  161    HG3  ARG  22           HG1      ARG  22  20.521   7.141   1.552
  162    HD2  ARG  22           HD2      ARG  22  20.829   4.773   1.926
  163    HD3  ARG  22           HD1      ARG  22  21.914   5.267   0.631
  164    HE   ARG  22           HE       ARG  22  23.247   5.432   3.137
  165   HH11  ARG  22          HH11      ARG  22  24.759   3.812   3.635
  166   HH12  ARG  22          HH12      ARG  22  24.719   2.305   2.780
  167   HH21  ARG  22          HH21      ARG  22  22.017   3.199   0.798
  168   HH22  ARG  22          HH22      ARG  22  23.167   1.958   1.174
  Start of MODEL   18
    1    H    GLN   1           HN       GLN   1  -0.702  -5.415  -4.242
    2    HA   GLN   1           HA       GLN   1   1.650  -5.238  -3.405
    3    HB2  GLN   1           HB2      GLN   1   2.111  -5.252  -6.392
    4    HB3  GLN   1           HB1      GLN   1   3.333  -4.733  -5.231
    5    HG2  GLN   1           HG2      GLN   1   3.336  -6.899  -4.160
    6    HG3  GLN   1           HG1      GLN   1   1.954  -7.428  -5.119
    7   HE21  GLN   1          HE21      GLN   1   4.712  -8.616  -5.032
    8   HE22  GLN   1          HE22      GLN   1   5.276  -8.563  -6.631
    9    H    TRP   2           HN       TRP   2   1.130  -3.351  -2.442
   10    HA   TRP   2           HA       TRP   2   1.278  -0.920  -4.090
   11    HB2  TRP   2           HB2      TRP   2  -1.114  -1.391  -3.822
   12    HB3  TRP   2           HB1      TRP   2  -0.909  -1.479  -2.072
   13    HD1  TRP   2           HD1      TRP   2  -0.887   0.998  -4.977
   14    HE1  TRP   2           HE1      TRP   2  -1.084   3.388  -4.032
   15    HE3  TRP   2           HE3      TRP   2  -0.473   0.009   0.016
   16    HZ2  TRP   2           HZ2      TRP   2  -1.068   4.707  -1.493
   17    HZ3  TRP   2           HZ3      TRP   2  -0.566   1.849   1.673
   18    HH2  TRP   2           HH2      TRP   2  -0.861   4.193   0.928
   19    H    CYS   3           HN       CYS   3   2.433   0.675  -3.161
   20    HA   CYS   3           HA       CYS   3   3.190   0.352  -0.316
   21    HB2  CYS   3           HB2      CYS   3   4.834   1.507  -2.581
   22    HB3  CYS   3           HB1      CYS   3   5.325   1.446  -0.891
   23    H    GLN   4           HN       GLN   4   3.399   2.219   0.927
   24    HA   GLN   4           HA       GLN   4   1.598   4.349   0.270
   25    HB2  GLN   4           HB2      GLN   4   3.095   5.177   2.467
   26    HB3  GLN   4           HB1      GLN   4   1.551   4.330   2.528
   27    HG2  GLN   4           HG2      GLN   4   4.226   2.923   2.365
   28    HG3  GLN   4           HG1      GLN   4   3.409   3.274   3.883
   29   HE21  GLN   4          HE21      GLN   4   3.821   0.822   1.677
   30   HE22  GLN   4          HE22      GLN   4   2.373  -0.025   1.930
   31    HA   PRO   5           HA       PRO   5   4.380   7.215  -1.550
   32    HB2  PRO   5           HB2      PRO   5   3.795   9.574  -0.236
   33    HB3  PRO   5           HB1      PRO   5   2.793   8.879  -1.524
   34    HG2  PRO   5           HG2      PRO   5   2.425   8.775   1.427
   35    HG3  PRO   5           HG1      PRO   5   1.218   8.955   0.142
   36    HD2  PRO   5           HD2      PRO   5   1.633   6.591   1.418
   37    HD3  PRO   5           HD1      PRO   5   1.129   6.668  -0.280
   38    H    GLY   6           HN       GLY   6   6.496   7.803  -1.268
   39    HA2  GLY   6           HA2      GLY   6   8.404   8.559  -0.111
   40    HA3  GLY   6           HA1      GLY   6   7.516   8.415   1.406
   41    H    TYR   7           HN       TYR   7   6.727   5.672  -0.033
   42    HA   TYR   7           HA       TYR   7   9.029   4.175   1.065
   43    HB2  TYR   7           HB2      TYR   7   6.086   3.526   0.959
   44    HB3  TYR   7           HB1      TYR   7   7.302   2.285   1.230
   45    HD1  TYR   7           HD1      TYR   7   6.316   5.688   2.476
   46    HD2  TYR   7           HD2      TYR   7   7.985   1.846   3.417
   47    HE1  TYR   7           HE1      TYR   7   6.436   6.324   4.871
   48    HE2  TYR   7           HE2      TYR   7   8.117   2.481   5.804
   49    HH   TYR   7           HH       TYR   7   6.565   5.303   7.038
   50    H    ALA   8           HN       ALA   8   9.896   2.494  -0.125
   51    HA   ALA   8           HA       ALA   8   9.022   2.346  -2.949
   52    HB1  ALA   8           HB1      ALA   8  11.345   1.731  -3.475
   53    HB2  ALA   8           HB2      ALA   8  11.769   1.876  -1.768
   54    HB3  ALA   8           HB3      ALA   8  11.267   3.302  -2.677
   55    H    TYR   9           HN       TYR   9   8.473   0.413  -3.771
   56    HA   TYR   9           HA       TYR   9   7.986  -1.793  -2.075
   57    HB2  TYR   9           HB2      TYR   9   6.702  -1.439  -4.124
   58    HB3  TYR   9           HB1      TYR   9   8.153  -1.688  -5.094
   59    HD1  TYR   9           HD1      TYR   9   5.988  -3.346  -2.535
   60    HD2  TYR   9           HD2      TYR   9   8.803  -3.864  -5.744
   61    HE1  TYR   9           HE1      TYR   9   5.596  -5.794  -2.485
   62    HE2  TYR   9           HE2      TYR   9   8.405  -6.310  -5.691
   63    HH   TYR   9           HH       TYR   9   6.294  -7.815  -4.863
   64    H    ASN  10           HN       ASN  10   9.210  -3.462  -1.473
   65    HA   ASN  10           HA       ASN  10  11.858  -3.758  -2.734
   66    HB2  ASN  10           HB2      ASN  10  10.973  -3.783   0.055
   67    HB3  ASN  10           HB1      ASN  10  12.036  -5.121  -0.379
   68   HD21  ASN  10          HD21      ASN  10  14.231  -4.674  -0.520
   69   HD22  ASN  10          HD22      ASN  10  14.893  -3.116  -0.541
   70    HA   PRO  11           HA       PRO  11   9.869  -7.691  -3.833
   71    HB2  PRO  11           HB2      PRO  11  11.731  -8.539  -5.646
   72    HB3  PRO  11           HB1      PRO  11  10.453  -7.374  -6.031
   73    HG2  PRO  11           HG2      PRO  11  13.329  -6.923  -5.526
   74    HG3  PRO  11           HG1      PRO  11  12.208  -6.047  -6.580
   75    HD2  PRO  11           HD2      PRO  11  13.063  -5.185  -4.072
   76    HD3  PRO  11           HD1      PRO  11  11.632  -4.574  -4.924
   77    H    VAL  12           HN       VAL  12  13.232  -7.230  -2.938
   78    HA   VAL  12           HA       VAL  12  13.882  -9.927  -2.369
   79    HB   VAL  12           HB       VAL  12  14.995  -7.318  -1.322
   80   HG11  VAL  12          HG11      VAL  12  15.568 -10.150  -0.615
   81   HG12  VAL  12          HG12      VAL  12  15.780  -8.687   0.346
   82   HG13  VAL  12          HG13      VAL  12  16.967  -9.111  -0.889
   83   HG21  VAL  12          HG21      VAL  12  15.979  -9.343  -3.358
   84   HG22  VAL  12          HG22      VAL  12  16.864  -7.906  -2.848
   85   HG23  VAL  12          HG23      VAL  12  15.340  -7.739  -3.719
   86    H    LEU  13           HN       LEU  13  12.645  -7.279  -0.340
   87    HA   LEU  13           HA       LEU  13  12.479  -9.000   1.990
   88    HB2  LEU  13           HB2      LEU  13  11.429  -6.187   1.588
   89    HB3  LEU  13           HB1      LEU  13  11.610  -7.030   3.124
   90    HG   LEU  13           HG       LEU  13  13.877  -6.337   1.233
   91   HD11  LEU  13          HD11      LEU  13  13.512  -4.293   2.197
   92   HD12  LEU  13          HD12      LEU  13  14.412  -5.018   3.530
   93   HD13  LEU  13          HD13      LEU  13  12.649  -4.979   3.574
   94   HD21  LEU  13          HD21      LEU  13  15.127  -6.952   3.492
   95   HD22  LEU  13          HD22      LEU  13  14.661  -8.220   2.357
   96   HD23  LEU  13          HD23      LEU  13  13.674  -7.908   3.784
   97    H    GLY  14           HN       GLY  14  10.450  -8.026  -0.632
   98    HA2  GLY  14           HA2      GLY  14   8.421  -8.972  -1.268
   99    HA3  GLY  14           HA1      GLY  14   8.351  -9.804   0.278
  100    H    ILE  15           HN       ILE  15   8.987  -6.603   0.939
  101    HA   ILE  15           HA       ILE  15   6.153  -5.818   0.922
  102    HB   ILE  15           HB       ILE  15   5.978  -5.433   3.186
  103   HG12  ILE  15          HG12      ILE  15   7.901  -3.997   3.551
  104   HG13  ILE  15          HG11      ILE  15   7.972  -5.304   4.723
  105   HG21  ILE  15          HG21      ILE  15   8.011  -7.674   3.148
  106   HG22  ILE  15          HG22      ILE  15   6.326  -7.867   2.668
  107   HG23  ILE  15          HG23      ILE  15   6.725  -7.421   4.327
  108   HD11  ILE  15          HD11      ILE  15   9.400  -6.451   2.758
  109   HD12  ILE  15          HD12      ILE  15  10.133  -5.428   3.987
  110   HD13  ILE  15          HD13      ILE  15   9.753  -4.762   2.402
  111    H    CYS  16           HN       CYS  16   6.071  -3.450   1.960
  112    HA   CYS  16           HA       CYS  16   7.824  -1.853   0.249
  113    HB2  CYS  16           HB2      CYS  16   5.517  -0.984   2.010
  114    HB3  CYS  16           HB1      CYS  16   6.312  -0.017   0.768
  115    H    THR  17           HN       THR  17   9.432  -0.543   0.994
  116    HA   THR  17           HA       THR  17   9.714  -0.240   3.925
  117    HB   THR  17           HB       THR  17  12.147  -0.470   3.663
  118    HG1  THR  17           HG1      THR  17  12.760  -0.067   1.689
  119   HG21  THR  17          HG21      THR  17  10.220  -2.492   3.545
  120   HG22  THR  17          HG22      THR  17  11.917  -2.685   3.985
  121   HG23  THR  17          HG23      THR  17  11.404  -2.936   2.316
  122    H    ILE  18           HN       ILE  18  10.825   1.639   4.627
  123    HA   ILE  18           HA       ILE  18  10.191   3.960   3.085
  124    HB   ILE  18           HB       ILE  18  10.301   3.641   5.681
  125   HG12  ILE  18          HG12      ILE  18  11.487   6.143   4.437
  126   HG13  ILE  18          HG11      ILE  18   9.764   5.771   4.445
  127   HG21  ILE  18          HG21      ILE  18  13.083   4.712   5.250
  128   HG22  ILE  18          HG22      ILE  18  12.801   2.978   5.396
  129   HG23  ILE  18          HG23      ILE  18  12.368   4.058   6.723
  130   HD11  ILE  18          HD11      ILE  18  10.816   5.437   7.102
  131   HD12  ILE  18          HD12      ILE  18   9.562   6.544   6.541
  132   HD13  ILE  18          HD13      ILE  18  11.256   7.033   6.494
  133    H    THR  19           HN       THR  19  11.665   5.576   2.350
  134    HA   THR  19           HA       THR  19  14.401   4.591   1.813
  135    HB   THR  19           HB       THR  19  14.276   5.592  -0.421
  136    HG1  THR  19           HG1      THR  19  11.687   6.258   0.481
  137   HG21  THR  19          HG21      THR  19  13.282   3.750  -1.325
  138   HG22  THR  19          HG22      THR  19  11.788   3.992  -0.421
  139   HG23  THR  19          HG23      THR  19  13.173   3.227   0.356
  140    H    LEU  20           HN       LEU  20  15.975   6.273   1.456
  141    HA   LEU  20           HA       LEU  20  15.243   8.995   2.161
  142    HB2  LEU  20           HB2      LEU  20  16.791   9.136   4.042
  143    HB3  LEU  20           HB1      LEU  20  15.566   7.912   4.353
  144    HG   LEU  20           HG       LEU  20  18.363   7.338   3.308
  145   HD11  LEU  20          HD11      LEU  20  18.702   6.365   5.580
  146   HD12  LEU  20          HD12      LEU  20  17.138   7.022   6.062
  147   HD13  LEU  20          HD13      LEU  20  18.452   8.110   5.613
  148   HD21  LEU  20          HD21      LEU  20  17.498   4.990   4.256
  149   HD22  LEU  20          HD22      LEU  20  17.170   5.485   2.598
  150   HD23  LEU  20          HD23      LEU  20  15.929   5.675   3.836
  151    H    SER  21           HN       SER  21  17.098  10.486   1.957
  152    HA   SER  21           HA       SER  21  18.504  10.070  -0.446
  153    HB2  SER  21           HB2      SER  21  18.017  12.309   0.424
  154    HB3  SER  21           HB1      SER  21  19.080  12.019   1.798
  155    HG   SER  21           HG       SER  21  20.737  11.606   0.136
  156    H    ARG  22           HN       ARG  22  19.540   9.831   2.942
  157    HA   ARG  22           HA       ARG  22  21.719   8.060   2.105
  158    HB2  ARG  22           HB2      ARG  22  22.094  10.600   3.699
  159    HB3  ARG  22           HB1      ARG  22  23.283   9.298   3.663
  160    HG2  ARG  22           HG2      ARG  22  23.426   9.496   1.204
  161    HG3  ARG  22           HG1      ARG  22  22.248  10.807   1.244
  162    HD2  ARG  22           HD2      ARG  22  23.765  12.140   2.652
  163    HD3  ARG  22           HD1      ARG  22  24.944  10.832   2.628
  164    HE   ARG  22           HE       ARG  22  24.318  11.529  -0.031
  165   HH11  ARG  22          HH11      ARG  22  25.768  12.839  -1.187
  166   HH12  ARG  22          HH12      ARG  22  26.916  13.814  -0.333
  167   HH21  ARG  22          HH21      ARG  22  25.858  12.782   2.802
  168   HH22  ARG  22          HH22      ARG  22  26.965  13.783   1.925
  Start of MODEL   19
    1    H    GLN   1           HN       GLN   1   0.769  -4.781  -6.121
    2    HA   GLN   1           HA       GLN   1   0.012  -3.836  -3.824
    3    HB2  GLN   1           HB2      GLN   1   2.734  -4.646  -4.670
    4    HB3  GLN   1           HB1      GLN   1   2.615  -3.823  -3.114
    5    HG2  GLN   1           HG2      GLN   1   0.833  -6.146  -3.873
    6    HG3  GLN   1           HG1      GLN   1   2.370  -6.360  -3.038
    7   HE21  GLN   1          HE21      GLN   1   2.517  -5.639  -0.807
    8   HE22  GLN   1          HE22      GLN   1   1.138  -5.199   0.080
    9    H    TRP   2           HN       TRP   2  -0.742  -1.748  -3.749
   10    HA   TRP   2           HA       TRP   2   0.784   0.538  -4.476
   11    HB2  TRP   2           HB2      TRP   2  -1.663   0.585  -4.385
   12    HB3  TRP   2           HB1      TRP   2  -1.613   0.295  -2.646
   13    HD1  TRP   2           HD1      TRP   2  -0.822   2.963  -5.267
   14    HE1  TRP   2           HE1      TRP   2  -0.609   5.244  -4.085
   15    HE3  TRP   2           HE3      TRP   2  -1.086   1.458  -0.396
   16    HZ2  TRP   2           HZ2      TRP   2  -0.560   6.291  -1.422
   17    HZ3  TRP   2           HZ3      TRP   2  -0.954   3.114   1.441
   18    HH2  TRP   2           HH2      TRP   2  -0.691   5.526   0.936
   19    H    CYS   3           HN       CYS   3   2.297   1.617  -3.396
   20    HA   CYS   3           HA       CYS   3   2.634   1.077  -0.508
   21    HB2  CYS   3           HB2      CYS   3   4.761   1.478  -2.626
   22    HB3  CYS   3           HB1      CYS   3   5.100   1.396  -0.890
   23    H    GLN   4           HN       GLN   4   2.566   2.774   0.768
   24    HA   GLN   4           HA       GLN   4   1.805   5.311  -0.014
   25    HB2  GLN   4           HB2      GLN   4   2.742   5.967   2.316
   26    HB3  GLN   4           HB1      GLN   4   1.457   4.767   2.252
   27    HG2  GLN   4           HG2      GLN   4   4.328   3.896   2.159
   28    HG3  GLN   4           HG1      GLN   4   3.597   4.314   3.705
   29   HE21  GLN   4          HE21      GLN   4   4.467   1.610   2.729
   30   HE22  GLN   4          HE22      GLN   4   3.077   0.636   2.804
   31    HA   PRO   5           HA       PRO   5   5.473   7.254  -1.494
   32    HB2  PRO   5           HB2      PRO   5   5.211   9.809  -0.478
   33    HB3  PRO   5           HB1      PRO   5   4.341   9.210  -1.902
   34    HG2  PRO   5           HG2      PRO   5   3.402   9.499   0.905
   35    HG3  PRO   5           HG1      PRO   5   2.539   9.799  -0.614
   36    HD2  PRO   5           HD2      PRO   5   2.137   7.555   0.853
   37    HD3  PRO   5           HD1      PRO   5   2.010   7.550  -0.912
   38    H    GLY   6           HN       GLY   6   7.581   7.709  -0.838
   39    HA2  GLY   6           HA2      GLY   6   9.300   8.227   0.705
   40    HA3  GLY   6           HA1      GLY   6   8.133   8.077   2.019
   41    H    TYR   7           HN       TYR   7   7.371   5.539   0.225
   42    HA   TYR   7           HA       TYR   7   9.278   3.730   1.580
   43    HB2  TYR   7           HB2      TYR   7   6.373   3.385   0.830
   44    HB3  TYR   7           HB1      TYR   7   7.410   2.031   1.254
   45    HD1  TYR   7           HD1      TYR   7   6.360   5.399   2.519
   46    HD2  TYR   7           HD2      TYR   7   7.650   1.422   3.498
   47    HE1  TYR   7           HE1      TYR   7   6.019   5.880   4.928
   48    HE2  TYR   7           HE2      TYR   7   7.319   1.905   5.906
   49    HH   TYR   7           HH       TYR   7   7.122   4.830   7.185
   50    H    ALA   8           HN       ALA   8  10.177   2.041   0.398
   51    HA   ALA   8           HA       ALA   8   9.755   2.154  -2.530
   52    HB1  ALA   8           HB1      ALA   8  11.888   3.132  -2.138
   53    HB2  ALA   8           HB2      ALA   8  12.197   1.485  -2.685
   54    HB3  ALA   8           HB3      ALA   8  12.323   1.885  -0.972
   55    H    TYR   9           HN       TYR   9   9.451   0.291  -3.567
   56    HA   TYR   9           HA       TYR   9   8.751  -2.057  -2.200
   57    HB2  TYR   9           HB2      TYR   9   7.935  -1.553  -4.452
   58    HB3  TYR   9           HB1      TYR   9   9.571  -1.733  -5.088
   59    HD1  TYR   9           HD1      TYR   9   6.838  -3.536  -3.312
   60    HD2  TYR   9           HD2      TYR   9  10.475  -3.894  -5.581
   61    HE1  TYR   9           HE1      TYR   9   6.488  -5.984  -3.492
   62    HE2  TYR   9           HE2      TYR   9  10.115  -6.338  -5.760
   63    HH   TYR   9           HH       TYR   9   7.785  -7.873  -5.630
   64    H    ASN  10           HN       ASN  10   9.848  -3.745  -1.480
   65    HA   ASN  10           HA       ASN  10  12.710  -3.935  -2.153
   66    HB2  ASN  10           HB2      ASN  10  11.333  -3.986   0.375
   67    HB3  ASN  10           HB1      ASN  10  12.207  -5.494   0.118
   68   HD21  ASN  10          HD21      ASN  10  14.361  -5.436   0.681
   69   HD22  ASN  10          HD22      ASN  10  15.307  -4.035   0.764
   70    HA   PRO  11           HA       PRO  11  11.042  -7.738  -3.973
   71    HB2  PRO  11           HB2      PRO  11  13.329  -8.561  -5.246
   72    HB3  PRO  11           HB1      PRO  11  12.210  -7.356  -5.906
   73    HG2  PRO  11           HG2      PRO  11  14.845  -6.984  -4.625
   74    HG3  PRO  11           HG1      PRO  11  14.045  -6.033  -5.886
   75    HD2  PRO  11           HD2      PRO  11  14.215  -5.312  -3.206
   76    HD3  PRO  11           HD1      PRO  11  13.051  -4.641  -4.365
   77    H    VAL  12           HN       VAL  12  14.007  -7.481  -2.114
   78    HA   VAL  12           HA       VAL  12  14.398 -10.239  -1.594
   79    HB   VAL  12           HB       VAL  12  15.199  -7.764  -0.052
   80   HG11  VAL  12          HG11      VAL  12  15.414  -9.279   1.657
   81   HG12  VAL  12          HG12      VAL  12  16.905  -9.674   0.804
   82   HG13  VAL  12          HG13      VAL  12  15.464 -10.661   0.563
   83   HG21  VAL  12          HG21      VAL  12  16.107  -8.718  -2.453
   84   HG22  VAL  12          HG22      VAL  12  17.188  -9.539  -1.326
   85   HG23  VAL  12          HG23      VAL  12  17.088  -7.779  -1.328
   86    H    LEU  13           HN       LEU  13  12.676  -7.684   0.178
   87    HA   LEU  13           HA       LEU  13  11.731  -9.559   2.188
   88    HB2  LEU  13           HB2      LEU  13  11.009  -6.653   1.725
   89    HB3  LEU  13           HB1      LEU  13  10.597  -7.605   3.149
   90    HG   LEU  13           HG       LEU  13  13.413  -6.982   2.205
   91   HD11  LEU  13          HD11      LEU  13  13.262  -5.819   4.600
   92   HD12  LEU  13          HD12      LEU  13  11.552  -5.728   4.179
   93   HD13  LEU  13          HD13      LEU  13  12.760  -4.973   3.138
   94   HD21  LEU  13          HD21      LEU  13  13.677  -8.980   3.365
   95   HD22  LEU  13          HD22      LEU  13  12.260  -8.700   4.378
   96   HD23  LEU  13          HD23      LEU  13  13.762  -7.833   4.702
   97    H    GLY  14           HN       GLY  14  10.637  -8.182  -0.799
   98    HA2  GLY  14           HA2      GLY  14   8.841  -8.870  -2.113
   99    HA3  GLY  14           HA1      GLY  14   8.283  -9.876  -0.779
  100    H    ILE  15           HN       ILE  15   8.920  -6.927   0.522
  101    HA   ILE  15           HA       ILE  15   6.266  -5.804  -0.093
  102    HB   ILE  15           HB       ILE  15   6.031  -5.253   2.363
  103   HG12  ILE  15          HG12      ILE  15   7.311  -6.831   3.889
  104   HG13  ILE  15          HG11      ILE  15   8.340  -7.224   2.517
  105   HG21  ILE  15          HG21      ILE  15   6.102  -8.158   1.506
  106   HG22  ILE  15          HG22      ILE  15   4.742  -7.047   1.344
  107   HG23  ILE  15          HG23      ILE  15   5.277  -7.559   2.944
  108   HD11  ILE  15          HD11      ILE  15   8.968  -5.276   4.246
  109   HD12  ILE  15          HD12      ILE  15   7.966  -4.325   3.153
  110   HD13  ILE  15          HD13      ILE  15   9.386  -5.171   2.539
  111    H    CYS  16           HN       CYS  16   6.098  -3.521   0.914
  112    HA   CYS  16           HA       CYS  16   8.493  -2.082   0.083
  113    HB2  CYS  16           HB2      CYS  16   5.715  -1.146   0.813
  114    HB3  CYS  16           HB1      CYS  16   7.033  -0.062   0.387
  115    H    THR  17           HN       THR  17   9.745  -0.816   1.340
  116    HA   THR  17           HA       THR  17   9.140  -0.723   4.234
  117    HB   THR  17           HB       THR  17  11.532  -1.030   4.694
  118    HG1  THR  17           HG1      THR  17  11.854  -1.687   1.974
  119   HG21  THR  17          HG21      THR  17  10.820  -3.268   2.828
  120   HG22  THR  17          HG22      THR  17   9.814  -2.976   4.247
  121   HG23  THR  17          HG23      THR  17  11.528  -3.344   4.443
  122    H    ILE  18           HN       ILE  18  10.068   1.101   5.343
  123    HA   ILE  18           HA       ILE  18   9.859   3.514   3.863
  124    HB   ILE  18           HB       ILE  18   9.468   3.068   6.404
  125   HG12  ILE  18          HG12      ILE  18  11.010   5.552   5.586
  126   HG13  ILE  18          HG11      ILE  18   9.306   5.293   5.217
  127   HG21  ILE  18          HG21      ILE  18  11.932   2.257   6.559
  128   HG22  ILE  18          HG22      ILE  18  11.318   3.298   7.842
  129   HG23  ILE  18          HG23      ILE  18  12.338   3.974   6.573
  130   HD11  ILE  18          HD11      ILE  18   9.793   4.754   8.010
  131   HD12  ILE  18          HD12      ILE  18   8.704   5.933   7.284
  132   HD13  ILE  18          HD13      ILE  18  10.385   6.362   7.595
  133    H    THR  19           HN       THR  19  11.423   4.939   3.163
  134    HA   THR  19           HA       THR  19  14.235   4.231   3.560
  135    HB   THR  19           HB       THR  19  13.574   3.070   1.495
  136    HG1  THR  19           HG1      THR  19  15.388   3.661   0.615
  137   HG21  THR  19          HG21      THR  19  13.226   5.387  -0.184
  138   HG22  THR  19          HG22      THR  19  12.019   5.391   1.099
  139   HG23  THR  19          HG23      THR  19  12.157   4.001   0.025
  140    H    LEU  20           HN       LEU  20  15.650   5.964   3.361
  141    HA   LEU  20           HA       LEU  20  14.450   8.600   2.789
  142    HB2  LEU  20           HB2      LEU  20  15.965   9.458   4.670
  143    HB3  LEU  20           HB1      LEU  20  14.509   8.597   5.152
  144    HG   LEU  20           HG       LEU  20  17.190   7.223   4.822
  145   HD11  LEU  20          HD11      LEU  20  15.962   8.320   7.368
  146   HD12  LEU  20          HD12      LEU  20  17.344   9.020   6.526
  147   HD13  LEU  20          HD13      LEU  20  17.470   7.415   7.246
  148   HD21  LEU  20          HD21      LEU  20  14.484   6.363   5.521
  149   HD22  LEU  20          HD22      LEU  20  15.641   5.962   6.788
  150   HD23  LEU  20          HD23      LEU  20  15.904   5.391   5.142
  151    H    SER  21           HN       SER  21  16.028   6.939   1.062
  152    HA   SER  21           HA       SER  21  18.764   7.651   1.056
  153    HB2  SER  21           HB2      SER  21  17.946   5.770  -0.258
  154    HB3  SER  21           HB1      SER  21  16.946   6.848  -1.227
  155    HG   SER  21           HG       SER  21  19.772   6.711  -1.072
  156    H    ARG  22           HN       ARG  22  19.865   9.334   0.154
  157    HA   ARG  22           HA       ARG  22  18.482  11.792  -0.248
  158    HB2  ARG  22           HB2      ARG  22  20.776  11.699   0.638
  159    HB3  ARG  22           HB1      ARG  22  21.345  11.057  -0.904
  160    HG2  ARG  22           HG2      ARG  22  20.686  13.090  -2.060
  161    HG3  ARG  22           HG1      ARG  22  19.929  13.721  -0.596
  162    HD2  ARG  22           HD2      ARG  22  22.872  13.043  -0.818
  163    HD3  ARG  22           HD1      ARG  22  22.216  14.662  -1.043
  164    HE   ARG  22           HE       ARG  22  21.286  13.715   1.423
  165   HH11  ARG  22          HH11      ARG  22  22.341  14.335   3.337
  166   HH12  ARG  22          HH12      ARG  22  23.982  14.884   3.276
  167   HH21  ARG  22          HH21      ARG  22  24.258  14.510  -0.161
  168   HH22  ARG  22          HH22      ARG  22  25.067  14.983   1.297
  Start of MODEL   20
    1    H    GLN   1           HN       GLN   1   0.507  -5.067  -5.244
    2    HA   GLN   1           HA       GLN   1   2.586  -5.078  -3.159
    3    HB2  GLN   1           HB2      GLN   1   2.755  -4.800  -6.167
    4    HB3  GLN   1           HB1      GLN   1   4.143  -4.697  -5.083
    5    HG2  GLN   1           HG2      GLN   1   3.666  -6.965  -4.246
    6    HG3  GLN   1           HG1      GLN   1   2.272  -7.073  -5.319
    7   HE21  GLN   1          HE21      GLN   1   2.968  -8.634  -6.830
    8   HE22  GLN   1          HE22      GLN   1   4.385  -8.488  -7.754
    9    H    TRP   2           HN       TRP   2   0.346  -3.091  -3.515
   10    HA   TRP   2           HA       TRP   2   1.490  -0.632  -4.404
   11    HB2  TRP   2           HB2      TRP   2  -0.931  -0.965  -4.354
   12    HB3  TRP   2           HB1      TRP   2  -0.887  -1.156  -2.602
   13    HD1  TRP   2           HD1      TRP   2  -0.472   1.466  -5.352
   14    HE1  TRP   2           HE1      TRP   2  -0.631   3.811  -4.290
   15    HE3  TRP   2           HE3      TRP   2  -0.570   0.191  -0.408
   16    HZ2  TRP   2           HZ2      TRP   2  -0.781   4.989  -1.686
   17    HZ3  TRP   2           HZ3      TRP   2  -0.721   1.941   1.340
   18    HH2  TRP   2           HH2      TRP   2  -0.824   4.335   0.708
   19    H    CYS   3           HN       CYS   3   2.654   0.859  -3.345
   20    HA   CYS   3           HA       CYS   3   3.157   0.432  -0.456
   21    HB2  CYS   3           HB2      CYS   3   5.026   1.544  -2.564
   22    HB3  CYS   3           HB1      CYS   3   5.378   1.465  -0.840
   23    H    GLN   4           HN       GLN   4   3.295   2.252   0.855
   24    HA   GLN   4           HA       GLN   4   1.682   4.484   0.076
   25    HB2  GLN   4           HB2      GLN   4   2.799   5.264   2.427
   26    HB3  GLN   4           HB1      GLN   4   1.396   4.200   2.327
   27    HG2  GLN   4           HG2      GLN   4   4.202   3.101   2.274
   28    HG3  GLN   4           HG1      GLN   4   3.392   3.454   3.799
   29   HE21  GLN   4          HE21      GLN   4   4.142   0.770   2.710
   30   HE22  GLN   4          HE22      GLN   4   2.689  -0.102   2.602
   31    HA   PRO   5           HA       PRO   5   4.764   7.212  -1.460
   32    HB2  PRO   5           HB2      PRO   5   4.172   9.582  -0.140
   33    HB3  PRO   5           HB1      PRO   5   3.319   8.984  -1.574
   34    HG2  PRO   5           HG2      PRO   5   2.545   8.829   1.294
   35    HG3  PRO   5           HG1      PRO   5   1.537   9.101  -0.139
   36    HD2  PRO   5           HD2      PRO   5   1.628   6.697   1.105
   37    HD3  PRO   5           HD1      PRO   5   1.413   6.827  -0.649
   38    H    GLY   6           HN       GLY   6   6.856   7.737  -0.981
   39    HA2  GLY   6           HA2      GLY   6   8.671   8.412   0.368
   40    HA3  GLY   6           HA1      GLY   6   7.660   8.204   1.797
   41    H    TYR   7           HN       TYR   7   6.933   5.552   0.179
   42    HA   TYR   7           HA       TYR   7   9.147   3.962   1.337
   43    HB2  TYR   7           HB2      TYR   7   6.211   3.334   1.018
   44    HB3  TYR   7           HB1      TYR   7   7.413   2.102   1.373
   45    HD1  TYR   7           HD1      TYR   7   6.101   5.388   2.601
   46    HD2  TYR   7           HD2      TYR   7   8.114   1.725   3.576
   47    HE1  TYR   7           HE1      TYR   7   6.005   5.972   5.010
   48    HE2  TYR   7           HE2      TYR   7   8.033   2.307   5.978
   49    HH   TYR   7           HH       TYR   7   6.161   4.124   7.359
   50    H    ALA   8           HN       ALA   8  10.095   2.388   0.107
   51    HA   ALA   8           HA       ALA   8   9.341   2.323  -2.751
   52    HB1  ALA   8           HB1      ALA   8  11.804   1.284  -2.785
   53    HB2  ALA   8           HB2      ALA   8  11.949   2.251  -1.318
   54    HB3  ALA   8           HB3      ALA   8  11.524   3.023  -2.845
   55    H    TYR   9           HN       TYR   9   8.729   0.431  -3.633
   56    HA   TYR   9           HA       TYR   9   8.114  -1.795  -2.004
   57    HB2  TYR   9           HB2      TYR   9   6.893  -1.338  -4.070
   58    HB3  TYR   9           HB1      TYR   9   8.357  -1.626  -5.014
   59    HD1  TYR   9           HD1      TYR   9   5.982  -3.231  -2.628
   60    HD2  TYR   9           HD2      TYR   9   9.012  -3.834  -5.621
   61    HE1  TYR   9           HE1      TYR   9   5.487  -5.660  -2.641
   62    HE2  TYR   9           HE2      TYR   9   8.510  -6.260  -5.632
   63    HH   TYR   9           HH       TYR   9   6.772  -7.783  -5.050
   64    H    ASN  10           HN       ASN  10   9.239  -3.542  -1.435
   65    HA   ASN  10           HA       ASN  10  11.908  -3.913  -2.627
   66    HB2  ASN  10           HB2      ASN  10  10.943  -3.992   0.127
   67    HB3  ASN  10           HB1      ASN  10  11.909  -5.395  -0.324
   68   HD21  ASN  10          HD21      ASN  10  14.124  -5.130  -0.289
   69   HD22  ASN  10          HD22      ASN  10  14.918  -3.636  -0.264
   70    HA   PRO  11           HA       PRO  11   9.767  -7.679  -3.983
   71    HB2  PRO  11           HB2      PRO  11  11.702  -8.589  -5.698
   72    HB3  PRO  11           HB1      PRO  11  10.514  -7.347  -6.128
   73    HG2  PRO  11           HG2      PRO  11  13.372  -7.068  -5.431
   74    HG3  PRO  11           HG1      PRO  11  12.364  -6.098  -6.517
   75    HD2  PRO  11           HD2      PRO  11  13.114  -5.365  -3.937
   76    HD3  PRO  11           HD1      PRO  11  11.767  -4.651  -4.846
   77    H    VAL  12           HN       VAL  12  13.100  -7.498  -2.871
   78    HA   VAL  12           HA       VAL  12  13.504 -10.254  -2.362
   79    HB   VAL  12           HB       VAL  12  14.743  -7.776  -1.153
   80   HG11  VAL  12          HG11      VAL  12  15.192  -9.346   0.509
   81   HG12  VAL  12          HG12      VAL  12  16.556  -9.607  -0.577
   82   HG13  VAL  12          HG13      VAL  12  15.171 -10.699  -0.623
   83   HG21  VAL  12          HG21      VAL  12  16.373  -9.601  -2.761
   84   HG22  VAL  12          HG22      VAL  12  16.171  -7.854  -2.907
   85   HG23  VAL  12          HG23      VAL  12  15.007  -8.945  -3.661
   86    H    LEU  13           HN       LEU  13  12.378  -7.585  -0.295
   87    HA   LEU  13           HA       LEU  13  11.918  -9.350   1.957
   88    HB2  LEU  13           HB2      LEU  13  11.092  -6.467   1.540
   89    HB3  LEU  13           HB1      LEU  13  11.047  -7.344   3.064
   90    HG   LEU  13           HG       LEU  13  13.546  -6.785   1.433
   91   HD11  LEU  13          HD11      LEU  13  13.855  -5.575   3.873
   92   HD12  LEU  13          HD12      LEU  13  12.136  -5.330   3.575
   93   HD13  LEU  13          HD13      LEU  13  13.325  -4.748   2.409
   94   HD21  LEU  13          HD21      LEU  13  14.094  -8.726   2.593
   95   HD22  LEU  13          HD22      LEU  13  12.965  -8.386   3.905
   96   HD23  LEU  13          HD23      LEU  13  14.494  -7.513   3.810
   97    H    GLY  14           HN       GLY  14  10.111  -8.039  -0.712
   98    HA2  GLY  14           HA2      GLY  14   8.057  -8.769  -1.533
   99    HA3  GLY  14           HA1      GLY  14   7.857  -9.753  -0.087
  100    H    ILE  15           HN       ILE  15   8.742  -6.717   0.911
  101    HA   ILE  15           HA       ILE  15   5.966  -5.724   1.012
  102    HB   ILE  15           HB       ILE  15   6.445  -4.998   3.395
  103   HG12  ILE  15          HG12      ILE  15   8.160  -6.435   4.569
  104   HG13  ILE  15          HG11      ILE  15   8.736  -6.953   2.988
  105   HG21  ILE  15          HG21      ILE  15   6.045  -7.344   4.277
  106   HG22  ILE  15          HG22      ILE  15   6.271  -7.917   2.625
  107   HG23  ILE  15          HG23      ILE  15   4.943  -6.821   3.004
  108   HD11  ILE  15          HD11      ILE  15   9.846  -4.890   4.253
  109   HD12  ILE  15          HD12      ILE  15   8.516  -4.010   3.507
  110   HD13  ILE  15          HD13      ILE  15   9.666  -4.891   2.502
  111    H    CYS  16           HN       CYS  16   5.978  -3.400   1.952
  112    HA   CYS  16           HA       CYS  16   7.848  -1.868   0.317
  113    HB2  CYS  16           HB2      CYS  16   5.579  -0.889   2.070
  114    HB3  CYS  16           HB1      CYS  16   6.407   0.021   0.807
  115    H    THR  17           HN       THR  17   9.488  -0.596   1.097
  116    HA   THR  17           HA       THR  17   9.774  -0.369   4.040
  117    HB   THR  17           HB       THR  17  12.195  -0.680   3.785
  118    HG1  THR  17           HG1      THR  17  12.600  -0.061   1.739
  119   HG21  THR  17          HG21      THR  17  11.070  -3.030   2.342
  120   HG22  THR  17          HG22      THR  17  10.353  -2.617   3.900
  121   HG23  THR  17          HG23      THR  17  12.075  -2.974   3.790
  122    H    ILE  18           HN       ILE  18  10.933   1.403   4.799
  123    HA   ILE  18           HA       ILE  18  10.453   3.822   3.353
  124    HB   ILE  18           HB       ILE  18  10.594   3.190   5.957
  125   HG12  ILE  18          HG12      ILE  18   9.618   5.242   5.076
  126   HG13  ILE  18          HG11      ILE  18  10.691   5.624   6.413
  127   HG21  ILE  18          HG21      ILE  18  13.090   2.849   5.716
  128   HG22  ILE  18          HG22      ILE  18  12.589   3.946   7.000
  129   HG23  ILE  18          HG23      ILE  18  13.229   4.595   5.491
  130   HD11  ILE  18          HD11      ILE  18  11.010   6.203   3.506
  131   HD12  ILE  18          HD12      ILE  18  12.470   5.894   4.445
  132   HD13  ILE  18          HD13      ILE  18  11.394   7.209   4.899
  133    H    THR  19           HN       THR  19  11.885   5.175   2.355
  134    HA   THR  19           HA       THR  19  14.729   4.475   2.304
  135    HB   THR  19           HB       THR  19  13.677   3.275   0.395
  136    HG1  THR  19           HG1      THR  19  15.565   5.279   0.184
  137   HG21  THR  19          HG21      THR  19  11.839   4.987   0.106
  138   HG22  THR  19          HG22      THR  19  12.628   4.494  -1.393
  139   HG23  THR  19          HG23      THR  19  13.035   6.041  -0.653
  140    H    LEU  20           HN       LEU  20  16.082   6.213   1.728
  141    HA   LEU  20           HA       LEU  20  14.883   8.770   1.047
  142    HB2  LEU  20           HB2      LEU  20  15.826   9.942   2.979
  143    HB3  LEU  20           HB1      LEU  20  14.674   8.715   3.493
  144    HG   LEU  20           HG       LEU  20  17.688   8.336   3.437
  145   HD11  LEU  20          HD11      LEU  20  15.877   9.536   5.396
  146   HD12  LEU  20          HD12      LEU  20  17.639   9.569   5.325
  147   HD13  LEU  20          HD13      LEU  20  16.813   8.197   6.061
  148   HD21  LEU  20          HD21      LEU  20  16.776   6.443   5.108
  149   HD22  LEU  20          HD22      LEU  20  16.914   6.159   3.374
  150   HD23  LEU  20          HD23      LEU  20  15.354   6.580   4.078
  151    H    SER  21           HN       SER  21  16.565  10.466   0.736
  152    HA   SER  21           HA       SER  21  18.599   9.552  -0.976
  153    HB2  SER  21           HB2      SER  21  17.657  11.804  -1.139
  154    HB3  SER  21           HB1      SER  21  18.333  12.216   0.434
  155    HG   SER  21           HG       SER  21  20.290  12.302  -0.417
  156    H    ARG  22           HN       ARG  22  18.716  10.644   2.401
  157    HA   ARG  22           HA       ARG  22  20.334  10.441   4.019
  158    HB2  ARG  22           HB2      ARG  22  19.998   8.035   3.585
  159    HB3  ARG  22           HB1      ARG  22  21.214   8.099   2.311
  160    HG2  ARG  22           HG2      ARG  22  22.933   8.729   3.916
  161    HG3  ARG  22           HG1      ARG  22  21.734   8.826   5.207
  162    HD2  ARG  22           HD2      ARG  22  21.263   6.430   4.977
  163    HD3  ARG  22           HD1      ARG  22  22.405   6.318   3.641
  164    HE   ARG  22           HE       ARG  22  24.153   6.367   5.186
  165   HH11  ARG  22          HH11      ARG  22  24.963   6.306   7.307
  166   HH12  ARG  22          HH12      ARG  22  23.912   6.657   8.640
  167   HH21  ARG  22          HH21      ARG  22  21.132   7.220   6.643
  168   HH22  ARG  22          HH22      ARG  22  21.744   7.175   8.264