*HEADER    DE NOVO PROTEIN                         28-MAR-17   5VAV              
*TITLE     DESIGN OF A NOVEL CYCLIC PEPTIDE THAT ALLEVIATES SYMPTOMS IN A MURINE 
*TITLE    2 MODEL OF INFLAMMATORY BOWEL DISEASE                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYC-MC12;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_TAXID: 4232                                                 
*KEYWDS    INFLAMMATORY BOWEL DISEASE, DE NOVO PROTEIN                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.L.DALY,C.COBOS CACERES                                              
*REVDAT   1   10-MAY-17 5VAV    0                                                
# Restraints file 1: final.upl
 11 CYS  H      11 CYS HB3      4.08            #peak 318 #SUP 0.98 #QF 0.98
 11 CYS  H      11 CYS HB2      4.08            #peak 319 #SUP 0.80 #QF 0.80
 10 ILE  H      10 ILE  HB      4.02            #peak 325 #SUP 1.00
 10 ILE  H      10 ILE  HG12    5.01            #peak 326 #SUP 0.95 #QF 0.95
 10 ILE  H      10 ILE  HG13    5.01            #peak 327 #SUP 1.00
 10 ILE  H      10 ILE  QG2     4.48            #peak 328 #SUP 1.00
 10 ILE  H      10 ILE  QD1     5.17            #peak 329 #SUP 0.85 #QF 0.85
  4 THR  H       4 THR  QG2     3.67            #peak 334 #SUP 0.94 #QF 0.94
  3 CYS  H       3 CYS HB2      3.98            #peak 336 #SUP 0.72 #QF 0.72
  2 ARG  HB3     2 ARG  HE      5.50            #peak 339 #SUP 1.00
  2 ARG  HB2     2 ARG  HE      5.50            #peak 340 #SUP 1.00
  6 ALA  H       6 ALA  QB      3.79            #peak 343 #SUP 1.00
  2 ARG  H       2 ARG  QD      5.50            #peak 349 #SUP 0.98 #QF 0.98
  5 GLN  H       5 GLN  QG      5.47            #peak 354 #SUP 0.99 #QF 0.99
  7 TRP  H       7 TRP  QB      3.64            #peak 357 #SUP 1.00
  3 CYS  HA     12 PHE  H       4.42            #peak 391 #SUP 0.92 #QF 0.92
 10 ILE  HA     11 CYS H        3.24            #peak 393 #SUP 0.81 #QF 0.81
  6 ALA  HA      7 TRP  H       3.53            #peak 396 #SUP 0.96 #QF 0.96
  1 GLY  H      14 ASP  HA      3.97            #peak 402 #SUP 0.66 #QF 0.66
  7 TRP  HA      7 TRP  HE3     5.50            #peak 405 #SUP 0.90 #QF 0.90
  2 ARG  H       2 ARG  QG      4.14            #peak 414 #SUP 0.93 #QF 0.93
  2 ARG  H       2 ARG  HB3     3.83            #peak 415 #SUP 0.92 #QF 0.92
 12 PHE  H      12 PHE  HB3     4.05            #peak 421 #SUP 0.90 #QF 0.90
  6 ALA  QB      7 TRP  H       4.07            #peak 423 #SUP 0.98 #QF 0.98
  3 CYS  HA      4 THR  H       3.04            #peak 424 #SUP 0.93 #QF 0.93
 11 CYS  HA     12 PHE  H       3.06            #peak 427 #SUP 0.67 #QF 0.67
  4 THR  H      10 ILE  H       4.24            #peak 430 #SUP 0.63 #QF 0.63
 12 PHE  HB3    14 ASP  H       4.56            #peak 437 #SUP 0.69 #QF 0.69
 12 PHE  HB2    14 ASP  H       4.56            #peak 440 #SUP 0.89 #QF 0.89
 10 ILE  QD1    11 CYS H        4.77            #peak 443 #SUP 0.59 #QF 0.59
 13 PRO  QD     14 ASP  H       4.26            #peak 446 #SUP 0.69 #QF 0.69
  4 THR  HA      5 GLN  H       3.31            #peak 450 #SUP 0.93 #QF 0.93
  3 CYS  HA     11 CYS HA       3.01            #peak 451 #SUP 0.87 #QF 0.87
  4 THR  HB      5 GLN  H       3.57            #peak 453 #SUP 0.86 #QF 0.86
  7 TRP  HE3     9 PRO  HD3     5.50            #peak 454 #SUP 0.74 #QF 0.74
  4 THR  H      11 CYS HA       4.15            #peak 456 #SUP 0.45 #QF 0.45
 12 PHE  H      12 PHE  QD      4.66            #peak 457 #SUP 0.96 #QF 0.96
  1 GLY  H       2 ARG  H       3.42            #peak 458 #SUP 0.50 #QF 0.50
  1 GLY  H      14 ASP  H       3.67            #peak 459 #SUP 0.63 #QF 0.63
  4 THR  H       5 GLN  H       4.53            #peak 460 #SUP 0.95 #QF 0.95
 12 PHE  HA     13 PRO  QD      3.10            #peak 463 #SUP 0.69 #QF 0.69
  7 TRP  HA      8 PRO  HA      2.88            #peak 464 #SUP 0.82 #QF 0.82
  2 ARG  HA      2 ARG  QD      4.83            #peak 469 #SUP 0.85 #QF 0.85
  7 TRP  HA      9 PRO  HD3     3.78            #peak 473 #SUP 0.21 #QF 0.21
  8 PRO  HA      9 PRO  HA      4.41            #peak 478 #SUP 0.70 #QF 0.70
  8 PRO  HA      9 PRO  HD3     2.97            #peak 480 #SUP 0.99 #QF 0.99
  8 PRO  HA      9 PRO  HD2     3.63            #peak 481 #SUP 0.65 #QF 0.65
  8 PRO  QB      9 PRO  HD2     3.87            #peak 498 #SUP 0.64 #QF 0.37
 10 ILE  QG2    10 ILE  HG12    3.35            #peak 525 #SUP 0.71 #QF 0.71
 10 ILE  QG2    10 ILE  HG13    3.35            #peak 526 #SUP 0.32 #QF 0.32
  2 ARG  H       2 ARG  HB2     3.83            #peak 567 #SUP 0.87 #QF 0.87
  1 GLY  H       2 ARG  HA      5.33            #peak 571 #SUP 0.94 #QF 0.76
  1 GLY  H      13 PRO  HA      5.50            #peak 571 #SUP 0.94 #QF 0.76
 12 PHE  H      12 PHE  HB2     4.05            #peak 575 #SUP 0.98 #QF 0.98
  3 CYS  H       3 CYS HB3      3.98            #peak 577 #SUP 0.89 #QF 0.89
  7 TRP  QB      7 TRP  HD1     3.24            #peak 581 #SUP 0.98 #QF 0.98
  2 ARG  HA      2 ARG  QG      3.90            #peak 582 #SUP 0.91 #QF 0.91
 10 ILE  HA     10 ILE  QD1     3.94            #peak 585 #SUP 0.75 #QF 0.75
 10 ILE  HB     10 ILE  QD1     3.33            #peak 590 #SUP 0.64 #QF 0.64
  4 THR  HA      4 THR  QG2     3.81            #peak 597 #SUP 0.93 #QF 0.93
  2 ARG  H       2 ARG  QB      3.30            #peak 415
  3 CYS  H       3 CYS QB       3.29            #peak 336
  3 CYS  QB      4 THR  H       4.21            #peak 447
  5 GLN  H       5 GLN  QB      3.50            #peak 566
  5 GLN  QB      5 GLN  QG      2.31            #peak 594
 10 ILE  H      10 ILE  QG1     4.23            #peak 326
 10 ILE  QG2    10 ILE  QG1     2.54            #peak 526
 11 CYS  H      11 CYS QB       3.34            #peak 319
 11 CYS  QB     12 PHE  H       4.21            #peak 420
 12 PHE  H      12 PHE  QB      3.33            #peak 421
 12 PHE  QB     13 PRO  QD      3.46            #peak 538
 12 PHE  QB     14 ASP  H       3.70            #peak 437
 13 PRO  QB     14 ASP  H       4.05            #peak 568
 14 ASP  H      14 ASP  QB      3.53            #peak 406
# Restraints file 2: cmc12talos2.aco

# Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
#    error margins are set to conservative default values of double the 
#    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
   2   ARG  PHI     -87.7   -46.7
   2   ARG  PSI     123.4   167.1
   3   CYS  PHI    -161.5  -116.5
   3   CYS  PSI     131.8   171.8
   7   TRP  PHI    -105.0   -46.2
   7   TRP  PSI     111.4   162.6
   8   PRO  PSI     120.8   173.3
  10   ILE  PHI    -117.3   -51.0
  10   ILE  PSI     109.4   160.9
  11   CYS  PHI    -150.0  -90.0
  11   CYS  PSI     130.9   170.9
  12   PHE  PHI    -126.5   -39.6
  12   PHE  PSI      86.6   187.7
  13   PRO  PSI     -49.9    -9.9
  5    GLN  PHI     -180    -20 
  4    THR  PHI     -180    -20
  6    ALA  PHI     -150    -90
  14   ASP  PHI     -180    -20

# Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
#    error margins are set to default values of triple the standard
#    deviation observed in TALOS-N capped at a minimum of +/-30 degree.
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   1.811  -0.001   0.854
    2    HA2  GLY   1           HA2      GLY   1   2.252  -1.021  -1.547
    3    HA3  GLY   1           HA3      GLY   1   1.477   0.488  -2.006
    4    H    ARG   2           H        ARG   2   2.520   2.279  -0.241
    5    HA   ARG   2           HA       ARG   2   5.008   2.885  -1.368
    6    HB2  ARG   2           HB2      ARG   2   3.320   4.419  -0.152
    7    HB3  ARG   2           HB3      ARG   2   4.144   3.919   1.318
    8    HG2  ARG   2           HG2      ARG   2   5.973   5.156   0.876
    9    HG3  ARG   2           HG3      ARG   2   5.880   4.868  -0.863
   10    HD2  ARG   2           HD2      ARG   2   4.462   6.632  -1.218
   11    HD3  ARG   2           HD3      ARG   2   3.781   6.549   0.406
   12    HE   ARG   2           HE       ARG   2   6.403   7.314   0.736
   13   HH11  ARG   2          HH11      ARG   2   3.602   8.545  -0.926
   14   HH12  ARG   2          HH12      ARG   2   4.078  10.203  -0.772
   15   HH21  ARG   2          HH21      ARG   2   7.041   9.494   0.944
   16   HH22  ARG   2          HH22      ARG   2   6.035  10.743   0.290
   17    H    CYS   3           H        CYS   3   7.104   2.995  -0.381
   18    HA   CYS   3           HA       CYS   3   7.637   1.573   2.054
   19    HB2  CYS   3           HB2      CYS   3   7.330  -0.139   0.063
   20    HB3  CYS   3           HB3      CYS   3   8.976   0.353  -0.322
   21    H    THR   4           H        THR   4   9.944   1.571   2.595
   22    HA   THR   4           HA       THR   4  11.216   3.987   1.578
   23    HB   THR   4           HB       THR   4  12.904   3.417   3.457
   24    HG1  THR   4           HG1      THR   4  12.128   1.254   3.767
   25   HG21  THR   4          HG21      THR   4  10.802   4.016   5.127
   26   HG22  THR   4          HG22      THR   4  10.220   4.565   3.555
   27   HG23  THR   4          HG23      THR   4  11.740   5.185   4.199
   28    H    GLN   5           H        GLN   5  13.035   4.040   0.384
   29    HA   GLN   5           HA       GLN   5  13.933   1.642  -0.877
   30    HB2  GLN   5           HB2      GLN   5  15.160   4.402  -0.963
   31    HB3  GLN   5           HB3      GLN   5  15.484   3.084  -2.082
   32    HG2  GLN   5           HG2      GLN   5  12.734   4.224  -1.720
   33    HG3  GLN   5           HG3      GLN   5  13.899   4.915  -2.849
   34   HE21  GLN   5          HE21      GLN   5  14.967   3.157  -4.265
   35   HE22  GLN   5          HE22      GLN   5  13.874   2.031  -4.988
   36    H    ALA   6           H        ALA   6  15.175   3.733   1.663
   37    HA   ALA   6           HA       ALA   6  17.490   1.945   1.976
   38    HB1  ALA   6           HB1      ALA   6  17.553   4.610   1.745
   39    HB2  ALA   6           HB2      ALA   6  17.379   4.477   3.496
   40    HB3  ALA   6           HB3      ALA   6  18.736   3.697   2.683
   41    H    TRP   7           H        TRP   7  18.220   2.235   4.506
   42    HA   TRP   7           HA       TRP   7  16.065   0.924   5.955
   43    HB2  TRP   7           HB2      TRP   7  19.015   1.061   6.190
   44    HB3  TRP   7           HB3      TRP   7  18.124   0.895   7.700
   45    HD1  TRP   7           HD1      TRP   7  16.755  -0.807   4.583
   46    HE1  TRP   7           HE1      TRP   7  16.979  -3.356   4.857
   47    HE3  TRP   7           HE3      TRP   7  19.576  -0.919   8.845
   48    HZ2  TRP   7           HZ2      TRP   7  18.191  -5.174   6.645
   49    HZ3  TRP   7           HZ3      TRP   7  20.225  -3.104   9.772
   50    HH2  TRP   7           HH2      TRP   7  19.545  -5.186   8.694
   51    HA   PRO   8           HA       PRO   8  16.315   0.366   8.383
   52    HB2  PRO   8           HB2      PRO   8  14.107   0.507   9.956
   53    HB3  PRO   8           HB3      PRO   8  15.724   0.928  10.531
   54    HG2  PRO   8           HG2      PRO   8  13.519   2.723   9.594
   55    HG3  PRO   8           HG3      PRO   8  14.602   2.914  10.985
   56    HD2  PRO   8           HD2      PRO   8  14.983   4.232   8.651
   57    HD3  PRO   8           HD3      PRO   8  16.329   3.722   9.690
   58    HA   PRO   9           HA       PRO   9  13.254  -1.171   5.625
   59    HB2  PRO   9           HB2      PRO   9  12.369  -3.402   6.893
   60    HB3  PRO   9           HB3      PRO   9  13.969  -3.291   6.150
   61    HG2  PRO   9           HG2      PRO   9  13.190  -2.983   9.024
   62    HG3  PRO   9           HG3      PRO   9  14.570  -3.849   8.326
   63    HD2  PRO   9           HD2      PRO   9  14.799  -1.381   9.416
   64    HD3  PRO   9           HD3      PRO   9  15.804  -1.921   8.056
   65    H    ILE  10           H        ILE  10  11.814   0.671   5.968
   66    HA   ILE  10           HA       ILE  10   9.486   0.029   7.654
   67    HB   ILE  10           HB       ILE  10  10.204   2.741   6.544
   68   HG12  ILE  10          HG12      ILE  10  11.967   2.010   8.069
   69   HG13  ILE  10          HG13      ILE  10  11.003   3.280   8.816
   70   HG21  ILE  10          HG21      ILE  10   8.671   3.432   8.466
   71   HG22  ILE  10          HG22      ILE  10   7.918   2.708   7.047
   72   HG23  ILE  10          HG23      ILE  10   8.161   1.744   8.503
   73   HD11  ILE  10          HD11      ILE  10   9.708   1.391   9.934
   74   HD12  ILE  10          HD12      ILE  10  11.041   0.352   9.431
   75   HD13  ILE  10          HD13      ILE  10  11.344   1.716  10.506
   76    H    CYS  11           H        CYS  11   7.946  -0.915   6.484
   77    HA   CYS  11           HA       CYS  11   7.374   0.162   3.801
   78    HB2  CYS  11           HB2      CYS  11   8.018  -2.447   4.488
   79    HB3  CYS  11           HB3      CYS  11   6.263  -2.479   4.350
   80    H    PHE  12           H        PHE  12   5.391   0.938   3.406
   81    HA   PHE  12           HA       PHE  12   3.511   1.076   5.603
   82    HB2  PHE  12           HB2      PHE  12   3.906   2.485   3.031
   83    HB3  PHE  12           HB3      PHE  12   2.239   2.341   3.579
   84    HD1  PHE  12           HD1      PHE  12   1.432   4.115   4.770
   85    HD2  PHE  12           HD2      PHE  12   5.567   3.153   5.067
   86    HE1  PHE  12           HE1      PHE  12   1.764   6.026   6.284
   87    HE2  PHE  12           HE2      PHE  12   5.906   5.062   6.582
   88    HZ   PHE  12           HZ       PHE  12   4.003   6.501   7.193
   89    HA   PRO  13           HA       PRO  13   0.675  -2.016   4.327
   90    HB2  PRO  13           HB2      PRO  13  -1.727  -0.851   4.820
   91    HB3  PRO  13           HB3      PRO  13  -0.647  -1.405   6.104
   92    HG2  PRO  13           HG2      PRO  13  -1.046   1.359   5.026
   93    HG3  PRO  13           HG3      PRO  13  -0.886   0.827   6.710
   94    HD2  PRO  13           HD2      PRO  13   1.166   1.928   5.328
   95    HD3  PRO  13           HD3      PRO  13   1.412   0.695   6.581
   96    H    ASP  14           H        ASP  14   0.137   1.206   3.000
   97    HA   ASP  14           HA       ASP  14  -1.741   0.676   1.048
   98    HB2  ASP  14           HB2      ASP  14  -1.184   2.930   1.293
   99    HB3  ASP  14           HB3      ASP  14   0.546   2.614   1.195
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   1.776   0.119   0.788
    2    HA2  GLY   1           HA2      GLY   1   2.079  -0.570  -1.776
    3    HA3  GLY   1           HA3      GLY   1   1.362   1.026  -1.944
    4    H    ARG   2           H        ARG   2   2.502   2.675  -0.351
    5    HA   ARG   2           HA       ARG   2   5.019   3.195  -1.350
    6    HB2  ARG   2           HB2      ARG   2   3.436   4.719  -0.010
    7    HB3  ARG   2           HB3      ARG   2   4.203   4.041   1.420
    8    HG2  ARG   2           HG2      ARG   2   6.395   4.807   0.537
    9    HG3  ARG   2           HG3      ARG   2   5.532   5.605  -0.779
   10    HD2  ARG   2           HD2      ARG   2   5.060   6.147   2.148
   11    HD3  ARG   2           HD3      ARG   2   6.113   7.112   1.114
   12    HE   ARG   2           HE       ARG   2   3.697   7.067  -0.175
   13   HH11  ARG   2          HH11      ARG   2   4.824   8.045   2.970
   14   HH12  ARG   2          HH12      ARG   2   3.624   9.280   3.160
   15   HH21  ARG   2          HH21      ARG   2   2.112   8.690   0.064
   16   HH22  ARG   2          HH22      ARG   2   2.081   9.645   1.507
   17    H    CYS   3           H        CYS   3   7.128   3.097  -0.412
   18    HA   CYS   3           HA       CYS   3   7.623   1.482   1.906
   19    HB2  CYS   3           HB2      CYS   3   7.158  -0.089  -0.150
   20    HB3  CYS   3           HB3      CYS   3   8.801   0.351  -0.603
   21    H    THR   4           H        THR   4   9.973   1.240   2.321
   22    HA   THR   4           HA       THR   4  11.431   3.548   1.220
   23    HB   THR   4           HB       THR   4  12.798   3.483   3.270
   24    HG1  THR   4           HG1      THR   4  12.621   1.875   4.651
   25   HG21  THR   4          HG21      THR   4  11.329   4.828   4.292
   26   HG22  THR   4          HG22      THR   4  10.182   3.511   4.542
   27   HG23  THR   4          HG23      THR   4  10.197   4.390   3.013
   28    H    GLN   5           H        GLN   5  12.881   3.008  -0.267
   29    HA   GLN   5           HA       GLN   5  13.851   0.408  -0.704
   30    HB2  GLN   5           HB2      GLN   5  15.489   1.507  -2.221
   31    HB3  GLN   5           HB3      GLN   5  13.827   2.011  -2.501
   32    HG2  GLN   5           HG2      GLN   5  14.279   4.043  -1.146
   33    HG3  GLN   5           HG3      GLN   5  15.970   3.552  -1.060
   34   HE21  GLN   5          HE21      GLN   5  16.355   5.628  -2.077
   35   HE22  GLN   5          HE22      GLN   5  16.229   5.764  -3.795
   36    H    ALA   6           H        ALA   6  15.289   3.198   0.938
   37    HA   ALA   6           HA       ALA   6  17.580   1.562   1.737
   38    HB1  ALA   6           HB1      ALA   6  17.486   4.130   0.894
   39    HB2  ALA   6           HB2      ALA   6  17.453   4.356   2.643
   40    HB3  ALA   6           HB3      ALA   6  18.775   3.461   1.894
   41    H    TRP   7           H        TRP   7  18.111   1.156   3.872
   42    HA   TRP   7           HA       TRP   7  16.066   0.658   5.670
   43    HB2  TRP   7           HB2      TRP   7  19.023   0.781   5.829
   44    HB3  TRP   7           HB3      TRP   7  18.156   0.877   7.360
   45    HD1  TRP   7           HD1      TRP   7  17.110  -1.331   4.370
   46    HE1  TRP   7           HE1      TRP   7  17.150  -3.788   5.135
   47    HE3  TRP   7           HE3      TRP   7  19.052  -0.690   9.055
   48    HZ2  TRP   7           HZ2      TRP   7  17.905  -5.260   7.422
   49    HZ3  TRP   7           HZ3      TRP   7  19.402  -2.674  10.468
   50    HH2  TRP   7           HH2      TRP   7  18.839  -4.910   9.667
   51    HA   PRO   8           HA       PRO   8  16.354   0.511   8.152
   52    HB2  PRO   8           HB2      PRO   8  14.179   0.959   9.714
   53    HB3  PRO   8           HB3      PRO   8  15.815   1.439  10.183
   54    HG2  PRO   8           HG2      PRO   8  13.623   3.095   8.994
   55    HG3  PRO   8           HG3      PRO   8  14.736   3.495  10.315
   56    HD2  PRO   8           HD2      PRO   8  15.094   4.394   7.786
   57    HD3  PRO   8           HD3      PRO   8  16.451   4.038   8.874
   58    HA   PRO   9           HA       PRO   9  13.213  -1.405   5.744
   59    HB2  PRO   9           HB2      PRO   9  12.312  -3.371   7.385
   60    HB3  PRO   9           HB3      PRO   9  13.899  -3.420   6.608
   61    HG2  PRO   9           HG2      PRO   9  13.182  -2.616   9.401
   62    HG3  PRO   9           HG3      PRO   9  14.533  -3.616   8.837
   63    HD2  PRO   9           HD2      PRO   9  14.827  -1.005   9.490
   64    HD3  PRO   9           HD3      PRO   9  15.795  -1.788   8.225
   65    H    ILE  10           H        ILE  10  11.849   0.554   5.859
   66    HA   ILE  10           HA       ILE  10   9.464   0.125   7.538
   67    HB   ILE  10           HB       ILE  10  10.478   2.753   6.448
   68   HG12  ILE  10          HG12      ILE  10  11.902   1.837   8.252
   69   HG13  ILE  10          HG13      ILE  10  11.054   3.296   8.754
   70   HG21  ILE  10          HG21      ILE  10   8.213   3.086   6.623
   71   HG22  ILE  10          HG22      ILE  10   8.038   1.943   7.954
   72   HG23  ILE  10          HG23      ILE  10   8.740   3.534   8.245
   73   HD11  ILE  10          HD11      ILE  10   9.423   1.092   9.430
   74   HD12  ILE  10          HD12      ILE  10  11.064   0.736   9.969
   75   HD13  ILE  10          HD13      ILE  10  10.261   2.213  10.503
   76    H    CYS  11           H        CYS  11   7.920  -0.755   6.325
   77    HA   CYS  11           HA       CYS  11   7.471   0.350   3.629
   78    HB2  CYS  11           HB2      CYS  11   8.229  -2.174   4.032
   79    HB3  CYS  11           HB3      CYS  11   6.502  -2.386   4.300
   80    H    PHE  12           H        PHE  12   5.504   1.147   3.198
   81    HA   PHE  12           HA       PHE  12   3.592   1.369   5.321
   82    HB2  PHE  12           HB2      PHE  12   3.844   2.429   2.545
   83    HB3  PHE  12           HB3      PHE  12   2.245   2.418   3.282
   84    HD1  PHE  12           HD1      PHE  12   5.735   3.550   3.862
   85    HD2  PHE  12           HD2      PHE  12   1.604   4.129   4.711
   86    HE1  PHE  12           HE1      PHE  12   6.275   5.636   5.049
   87    HE2  PHE  12           HE2      PHE  12   2.137   6.216   5.899
   88    HZ   PHE  12           HZ       PHE  12   4.475   6.973   6.069
   89    HA   PRO  13           HA       PRO  13   0.842  -1.927   4.425
   90    HB2  PRO  13           HB2      PRO  13  -1.591  -0.784   4.806
   91    HB3  PRO  13           HB3      PRO  13  -0.487  -1.160   6.135
   92    HG2  PRO  13           HG2      PRO  13  -0.974   1.454   4.758
   93    HG3  PRO  13           HG3      PRO  13  -0.788   1.119   6.490
   94    HD2  PRO  13           HD2      PRO  13   1.222   2.116   4.974
   95    HD3  PRO  13           HD3      PRO  13   1.512   1.039   6.355
   96    H    ASP  14           H        ASP  14  -0.256   1.116   2.927
   97    HA   ASP  14           HA       ASP  14  -1.899   0.080   0.965
   98    HB2  ASP  14           HB2      ASP  14  -1.103   2.161  -0.376
   99    HB3  ASP  14           HB3      ASP  14  -1.953   2.402   1.148
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   1.355   0.850   1.327
    2    HA2  GLY   1           HA2      GLY   1   1.509  -0.954  -0.807
    3    HA3  GLY   1           HA3      GLY   1   0.973   0.590  -1.454
    4    H    ARG   2           H        ARG   2   2.349   2.504  -0.565
    5    HA   ARG   2           HA       ARG   2   4.889   2.331  -1.623
    6    HB2  ARG   2           HB2      ARG   2   3.607   4.213   0.320
    7    HB3  ARG   2           HB3      ARG   2   5.325   4.364  -0.023
    8    HG2  ARG   2           HG2      ARG   2   3.262   4.319  -2.201
    9    HG3  ARG   2           HG3      ARG   2   3.739   5.806  -1.378
   10    HD2  ARG   2           HD2      ARG   2   5.896   4.063  -2.429
   11    HD3  ARG   2           HD3      ARG   2   4.928   4.955  -3.602
   12    HE   ARG   2           HE       ARG   2   5.675   6.783  -1.675
   13   HH11  ARG   2          HH11      ARG   2   7.271   4.682  -3.946
   14   HH12  ARG   2          HH12      ARG   2   8.646   5.718  -4.137
   15   HH21  ARG   2          HH21      ARG   2   7.480   8.156  -1.918
   16   HH22  ARG   2          HH22      ARG   2   8.764   7.693  -2.983
   17    H    CYS   3           H        CYS   3   6.979   2.711  -0.418
   18    HA   CYS   3           HA       CYS   3   7.130   1.455   2.199
   19    HB2  CYS   3           HB2      CYS   3   8.313   0.269  -0.299
   20    HB3  CYS   3           HB3      CYS   3   9.045  -0.025   1.275
   21    H    THR   4           H        THR   4   9.394   1.527   3.063
   22    HA   THR   4           HA       THR   4  10.511   4.137   2.515
   23    HB   THR   4           HB       THR   4  11.868   3.827   4.459
   24    HG1  THR   4           HG1      THR   4  12.617   1.887   4.815
   25   HG21  THR   4          HG21      THR   4   9.264   2.455   5.105
   26   HG22  THR   4          HG22      THR   4   9.380   4.180   4.759
   27   HG23  THR   4          HG23      THR   4  10.229   3.500   6.146
   28    H    GLN   5           H        GLN   5  12.082   4.499   1.104
   29    HA   GLN   5           HA       GLN   5  13.408   2.445  -0.302
   30    HB2  GLN   5           HB2      GLN   5  13.877   5.412  -0.085
   31    HB3  GLN   5           HB3      GLN   5  14.899   4.379  -1.077
   32    HG2  GLN   5           HG2      GLN   5  12.988   3.717  -2.408
   33    HG3  GLN   5           HG3      GLN   5  11.920   4.674  -1.383
   34   HE21  GLN   5          HE21      GLN   5  13.887   4.655  -4.116
   35   HE22  GLN   5          HE22      GLN   5  13.861   6.349  -4.456
   36    H    ALA   6           H        ALA   6  14.615   4.735   2.146
   37    HA   ALA   6           HA       ALA   6  17.082   3.211   2.394
   38    HB1  ALA   6           HB1      ALA   6  16.618   5.864   2.524
   39    HB2  ALA   6           HB2      ALA   6  16.594   5.452   4.239
   40    HB3  ALA   6           HB3      ALA   6  18.010   5.071   3.260
   41    H    TRP   7           H        TRP   7  17.890   2.735   4.630
   42    HA   TRP   7           HA       TRP   7  16.003   1.089   5.983
   43    HB2  TRP   7           HB2      TRP   7  18.883   1.733   6.259
   44    HB3  TRP   7           HB3      TRP   7  18.069   1.172   7.717
   45    HD1  TRP   7           HD1      TRP   7  17.337  -0.151   4.168
   46    HE1  TRP   7           HE1      TRP   7  17.893  -2.664   4.117
   47    HE3  TRP   7           HE3      TRP   7  19.352  -0.632   8.842
   48    HZ2  TRP   7           HZ2      TRP   7  19.034  -4.594   5.831
   49    HZ3  TRP   7           HZ3      TRP   7  20.152  -2.845   9.559
   50    HH2  TRP   7           HH2      TRP   7  19.995  -4.784   8.084
   51    HA   PRO   8           HA       PRO   8  16.398   0.223   8.296
   52    HB2  PRO   8           HB2      PRO   8  14.232  -0.285   9.853
   53    HB3  PRO   8           HB3      PRO   8  15.757   0.332  10.500
   54    HG2  PRO   8           HG2      PRO   8  13.245   1.816   9.832
   55    HG3  PRO   8           HG3      PRO   8  14.302   1.986  11.245
   56    HD2  PRO   8           HD2      PRO   8  14.391   3.694   9.146
   57    HD3  PRO   8           HD3      PRO   8  15.827   3.284  10.105
   58    HA   PRO   9           HA       PRO   9  13.613  -1.408   5.309
   59    HB2  PRO   9           HB2      PRO   9  13.171  -3.929   6.213
   60    HB3  PRO   9           HB3      PRO   9  14.710  -3.417   5.509
   61    HG2  PRO   9           HG2      PRO   9  13.944  -3.698   8.390
   62    HG3  PRO   9           HG3      PRO   9  15.445  -4.182   7.579
   63    HD2  PRO   9           HD2      PRO   9  15.243  -1.908   9.036
   64    HD3  PRO   9           HD3      PRO   9  16.303  -2.043   7.619
   65    H    ILE  10           H        ILE  10  11.893   0.100   5.987
   66    HA   ILE  10           HA       ILE  10   9.699  -1.295   7.378
   67    HB   ILE  10           HB       ILE  10  10.017   1.696   7.158
   68   HG12  ILE  10          HG12      ILE  10  11.868   0.756   8.474
   69   HG13  ILE  10          HG13      ILE  10  10.754   1.656   9.498
   70   HG21  ILE  10          HG21      ILE  10   8.199  -0.076   8.778
   71   HG22  ILE  10          HG22      ILE  10   8.362   1.662   9.025
   72   HG23  ILE  10          HG23      ILE  10   7.742   1.043   7.494
   73   HD11  ILE  10          HD11      ILE  10  11.604  -1.061   9.698
   74   HD12  ILE  10          HD12      ILE  10  10.621  -0.112  10.814
   75   HD13  ILE  10          HD13      ILE  10   9.853  -1.000   9.498
   76    H    CYS  11           H        CYS  11   7.585  -1.038   6.568
   77    HA   CYS  11           HA       CYS  11   7.354   0.144   3.891
   78    HB2  CYS  11           HB2      CYS  11   6.885  -2.684   4.682
   79    HB3  CYS  11           HB3      CYS  11   5.743  -1.966   3.551
   80    H    PHE  12           H        PHE  12   5.408   1.091   3.435
   81    HA   PHE  12           HA       PHE  12   3.730   1.722   5.671
   82    HB2  PHE  12           HB2      PHE  12   3.878   2.544   2.806
   83    HB3  PHE  12           HB3      PHE  12   2.371   2.822   3.674
   84    HD1  PHE  12           HD1      PHE  12   5.108   4.461   2.616
   85    HD2  PHE  12           HD2      PHE  12   3.038   3.698   6.256
   86    HE1  PHE  12           HE1      PHE  12   6.049   6.520   3.578
   87    HE2  PHE  12           HE2      PHE  12   3.975   5.757   7.224
   88    HZ   PHE  12           HZ       PHE  12   5.482   7.171   5.885
   89    HA   PRO  13           HA       PRO  13   0.492  -1.204   5.238
   90    HB2  PRO  13           HB2      PRO  13  -1.722   0.294   5.713
   91    HB3  PRO  13           HB3      PRO  13  -0.570  -0.147   6.980
   92    HG2  PRO  13           HG2      PRO  13  -0.813   2.414   5.449
   93    HG3  PRO  13           HG3      PRO  13  -0.527   2.170   7.181
   94    HD2  PRO  13           HD2      PRO  13   1.463   2.772   5.447
   95    HD3  PRO  13           HD3      PRO  13   1.720   1.756   6.881
   96    H    ASP  14           H        ASP  14  -0.194   1.851   3.546
   97    HA   ASP  14           HA       ASP  14  -2.175   0.993   1.825
   98    HB2  ASP  14           HB2      ASP  14  -1.112   2.753   0.223
   99    HB3  ASP  14           HB3      ASP  14  -1.782   3.285   1.763
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   1.786   0.075   1.453
    2    HA2  GLY   1           HA2      GLY   1   1.867  -1.294  -0.748
    3    HA3  GLY   1           HA3      GLY   1   1.250   0.201  -1.435
    4    H    ARG   2           H        ARG   2   2.684   2.127  -0.189
    5    HA   ARG   2           HA       ARG   2   5.135   2.068  -1.568
    6    HB2  ARG   2           HB2      ARG   2   3.991   3.868   0.549
    7    HB3  ARG   2           HB3      ARG   2   5.638   4.089  -0.026
    8    HG2  ARG   2           HG2      ARG   2   4.937   4.644  -2.183
    9    HG3  ARG   2           HG3      ARG   2   3.323   3.978  -1.924
   10    HD2  ARG   2           HD2      ARG   2   2.808   5.760  -0.363
   11    HD3  ARG   2           HD3      ARG   2   4.445   6.397  -0.514
   12    HE   ARG   2           HE       ARG   2   3.418   6.365  -3.067
   13   HH11  ARG   2          HH11      ARG   2   2.582   7.838  -0.026
   14   HH12  ARG   2          HH12      ARG   2   1.844   9.227  -0.753
   15   HH21  ARG   2          HH21      ARG   2   2.450   8.188  -4.036
   16   HH22  ARG   2          HH22      ARG   2   1.769   9.425  -3.034
   17    H    CYS   3           H        CYS   3   7.295   2.172  -0.687
   18    HA   CYS   3           HA       CYS   3   7.635   0.954   1.956
   19    HB2  CYS   3           HB2      CYS   3   8.595  -0.147  -0.664
   20    HB3  CYS   3           HB3      CYS   3   9.530  -0.432   0.801
   21    H    THR   4           H        THR   4  10.063   0.912   2.522
   22    HA   THR   4           HA       THR   4  11.146   3.553   1.842
   23    HB   THR   4           HB       THR   4  12.630   3.157   3.856
   24    HG1  THR   4           HG1      THR   4  12.454   0.940   4.102
   25   HG21  THR   4          HG21      THR   4  10.901   3.738   5.458
   26   HG22  THR   4          HG22      THR   4   9.654   3.128   4.371
   27   HG23  THR   4          HG23      THR   4  10.592   4.553   3.925
   28    H    GLN   5           H        GLN   5  12.649   3.573   0.310
   29    HA   GLN   5           HA       GLN   5  14.008   1.333  -0.665
   30    HB2  GLN   5           HB2      GLN   5  15.387   2.903  -1.909
   31    HB3  GLN   5           HB3      GLN   5  13.706   3.418  -1.942
   32    HG2  GLN   5           HG2      GLN   5  14.474   4.834   0.151
   33    HG3  GLN   5           HG3      GLN   5  16.049   4.663  -0.621
   34   HE21  GLN   5          HE21      GLN   5  15.009   7.132  -0.333
   35   HE22  GLN   5          HE22      GLN   5  14.506   7.761  -1.861
   36    H    ALA   6           H        ALA   6  14.867   3.659   1.822
   37    HA   ALA   6           HA       ALA   6  17.471   2.375   2.193
   38    HB1  ALA   6           HB1      ALA   6  18.062   4.237   3.561
   39    HB2  ALA   6           HB2      ALA   6  17.281   4.868   2.110
   40    HB3  ALA   6           HB3      ALA   6  16.388   4.791   3.629
   41    H    TRP   7           H        TRP   7  17.922   2.725   4.851
   42    HA   TRP   7           HA       TRP   7  16.017   0.832   6.043
   43    HB2  TRP   7           HB2      TRP   7  18.943   1.235   6.273
   44    HB3  TRP   7           HB3      TRP   7  18.104   0.786   7.756
   45    HD1  TRP   7           HD1      TRP   7  17.012  -0.599   4.353
   46    HE1  TRP   7           HE1      TRP   7  17.429  -3.138   4.331
   47    HE3  TRP   7           HE3      TRP   7  19.524  -1.047   8.783
   48    HZ2  TRP   7           HZ2      TRP   7  18.659  -5.075   5.975
   49    HZ3  TRP   7           HZ3      TRP   7  20.286  -3.278   9.486
   50    HH2  TRP   7           HH2      TRP   7  19.861  -5.249   8.110
   51    HA   PRO   8           HA       PRO   8  16.363  -0.009   8.374
   52    HB2  PRO   8           HB2      PRO   8  14.180  -0.294   9.962
   53    HB3  PRO   8           HB3      PRO   8  15.758   0.208  10.580
   54    HG2  PRO   8           HG2      PRO   8  13.372   1.881   9.897
   55    HG3  PRO   8           HG3      PRO   8  14.455   1.996  11.297
   56    HD2  PRO   8           HD2      PRO   8  14.664   3.639   9.154
   57    HD3  PRO   8           HD3      PRO   8  16.072   3.133  10.111
   58    HA   PRO   9           HA       PRO   9  13.437  -1.429   5.413
   59    HB2  PRO   9           HB2      PRO   9  12.895  -3.936   6.303
   60    HB3  PRO   9           HB3      PRO   9  14.437  -3.492   5.562
   61    HG2  PRO   9           HG2      PRO   9  13.737  -3.768   8.459
   62    HG3  PRO   9           HG3      PRO   9  15.189  -4.316   7.602
   63    HD2  PRO   9           HD2      PRO   9  15.142  -2.053   9.088
   64    HD3  PRO   9           HD3      PRO   9  16.154  -2.223   7.640
   65    H    ILE  10           H        ILE  10  11.836   0.179   6.214
   66    HA   ILE  10           HA       ILE  10   9.594  -1.145   7.597
   67    HB   ILE  10           HB       ILE  10  10.394   0.648   8.976
   68   HG12  ILE  10          HG12      ILE  10   7.983   1.754   7.538
   69   HG13  ILE  10          HG13      ILE  10   7.892   0.340   8.583
   70   HG21  ILE  10          HG21      ILE  10   9.911   2.973   7.445
   71   HG22  ILE  10          HG22      ILE  10  11.443   2.391   8.095
   72   HG23  ILE  10          HG23      ILE  10  10.931   1.908   6.478
   73   HD11  ILE  10          HD11      ILE  10   7.382   1.870  10.140
   74   HD12  ILE  10          HD12      ILE  10   9.132   2.071  10.227
   75   HD13  ILE  10          HD13      ILE  10   8.163   3.184   9.261
   76    H    CYS  11           H        CYS  11   8.025  -1.652   6.230
   77    HA   CYS  11           HA       CYS  11   7.638  -0.042   3.814
   78    HB2  CYS  11           HB2      CYS  11   7.011  -2.849   4.591
   79    HB3  CYS  11           HB3      CYS  11   5.951  -2.069   3.421
   80    H    PHE  12           H        PHE  12   5.917   1.233   3.525
   81    HA   PHE  12           HA       PHE  12   4.203   1.869   5.671
   82    HB2  PHE  12           HB2      PHE  12   4.422   2.654   2.811
   83    HB3  PHE  12           HB3      PHE  12   2.887   2.966   3.615
   84    HD1  PHE  12           HD1      PHE  12   6.547   3.469   4.087
   85    HD2  PHE  12           HD2      PHE  12   2.611   4.932   4.783
   86    HE1  PHE  12           HE1      PHE  12   7.486   5.519   5.072
   87    HE2  PHE  12           HE2      PHE  12   3.544   6.984   5.769
   88    HZ   PHE  12           HZ       PHE  12   5.985   7.280   5.913
   89    HA   PRO  13           HA       PRO  13   0.811  -0.887   5.312
   90    HB2  PRO  13           HB2      PRO  13  -1.321   0.736   5.750
   91    HB3  PRO  13           HB3      PRO  13  -0.191   0.268   7.027
   92    HG2  PRO  13           HG2      PRO  13  -0.304   2.799   5.432
   93    HG3  PRO  13           HG3      PRO  13  -0.028   2.583   7.170
   94    HD2  PRO  13           HD2      PRO  13   1.988   3.037   5.420
   95    HD3  PRO  13           HD3      PRO  13   2.194   2.046   6.879
   96    H    ASP  14           H        ASP  14   0.594   2.064   3.393
   97    HA   ASP  14           HA       ASP  14  -1.554   1.481   1.759
   98    HB2  ASP  14           HB2      ASP  14  -0.650   3.623   1.498
   99    HB3  ASP  14           HB3      ASP  14   0.989   3.010   1.296
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   1.388   1.284   0.953
    2    HA2  GLY   1           HA2      GLY   1   1.884  -1.246   0.107
    3    HA3  GLY   1           HA3      GLY   1   1.427  -0.419  -1.375
    4    H    ARG   2           H        ARG   2   2.588   2.129  -0.515
    5    HA   ARG   2           HA       ARG   2   5.082   1.961  -1.686
    6    HB2  ARG   2           HB2      ARG   2   3.561   3.959  -0.252
    7    HB3  ARG   2           HB3      ARG   2   5.271   4.078   0.142
    8    HG2  ARG   2           HG2      ARG   2   5.874   4.525  -2.062
    9    HG3  ARG   2           HG3      ARG   2   4.348   3.912  -2.701
   10    HD2  ARG   2           HD2      ARG   2   3.362   5.901  -2.496
   11    HD3  ARG   2           HD3      ARG   2   3.943   6.097  -0.843
   12    HE   ARG   2           HE       ARG   2   5.088   7.216  -3.223
   13   HH11  ARG   2          HH11      ARG   2   5.738   6.177   0.035
   14   HH12  ARG   2          HH12      ARG   2   7.120   7.204   0.226
   15   HH21  ARG   2          HH21      ARG   2   6.906   8.573  -2.984
   16   HH22  ARG   2          HH22      ARG   2   7.783   8.567  -1.491
   17    H    CYS   3           H        CYS   3   7.216   2.018  -0.869
   18    HA   CYS   3           HA       CYS   3   7.533   1.116   1.912
   19    HB2  CYS   3           HB2      CYS   3   7.788  -0.602  -0.180
   20    HB3  CYS   3           HB3      CYS   3   9.440  -0.009  -0.042
   21    H    THR   4           H        THR   4   9.889   1.247   2.598
   22    HA   THR   4           HA       THR   4  10.890   3.871   1.818
   23    HB   THR   4           HB       THR   4  12.404   3.639   3.766
   24    HG1  THR   4           HG1      THR   4  10.978   1.302   4.480
   25   HG21  THR   4          HG21      THR   4   9.956   4.466   3.865
   26   HG22  THR   4          HG22      THR   4  10.778   4.086   5.379
   27   HG23  THR   4          HG23      THR   4   9.635   2.937   4.683
   28    H    GLN   5           H        GLN   5  12.767   4.236   0.769
   29    HA   GLN   5           HA       GLN   5  14.028   2.044  -0.573
   30    HB2  GLN   5           HB2      GLN   5  14.900   4.936  -0.476
   31    HB3  GLN   5           HB3      GLN   5  15.390   3.729  -1.658
   32    HG2  GLN   5           HG2      GLN   5  13.135   3.606  -2.519
   33    HG3  GLN   5           HG3      GLN   5  12.578   4.734  -1.284
   34   HE21  GLN   5          HE21      GLN   5  14.306   4.361  -4.260
   35   HE22  GLN   5          HE22      GLN   5  14.423   6.040  -4.646
   36    H    ALA   6           H        ALA   6  14.944   4.266   2.021
   37    HA   ALA   6           HA       ALA   6  17.474   2.838   2.375
   38    HB1  ALA   6           HB1      ALA   6  16.947   5.490   2.465
   39    HB2  ALA   6           HB2      ALA   6  16.854   5.075   4.177
   40    HB3  ALA   6           HB3      ALA   6  18.320   4.723   3.262
   41    H    TRP   7           H        TRP   7  18.109   2.673   4.818
   42    HA   TRP   7           HA       TRP   7  16.090   0.990   6.043
   43    HB2  TRP   7           HB2      TRP   7  19.004   1.342   6.274
   44    HB3  TRP   7           HB3      TRP   7  18.188   0.986   7.794
   45    HD1  TRP   7           HD1      TRP   7  16.993  -0.533   4.483
   46    HE1  TRP   7           HE1      TRP   7  17.347  -3.081   4.577
   47    HE3  TRP   7           HE3      TRP   7  19.579  -0.831   8.883
   48    HZ2  TRP   7           HZ2      TRP   7  18.561  -4.967   6.290
   49    HZ3  TRP   7           HZ3      TRP   7  20.300  -3.045   9.679
   50    HH2  TRP   7           HH2      TRP   7  19.800  -5.069   8.408
   51    HA   PRO   8           HA       PRO   8  16.392   0.102   8.364
   52    HB2  PRO   8           HB2      PRO   8  14.178  -0.222   9.901
   53    HB3  PRO   8           HB3      PRO   8  15.741   0.272  10.561
   54    HG2  PRO   8           HG2      PRO   8  13.364   1.952   9.863
   55    HG3  PRO   8           HG3      PRO   8  14.418   2.041  11.286
   56    HD2  PRO   8           HD2      PRO   8  14.665   3.728   9.183
   57    HD3  PRO   8           HD3      PRO   8  16.054   3.207  10.157
   58    HA   PRO   9           HA       PRO   9  13.513  -1.309   5.355
   59    HB2  PRO   9           HB2      PRO   9  12.858  -3.782   6.262
   60    HB3  PRO   9           HB3      PRO   9  14.440  -3.399   5.572
   61    HG2  PRO   9           HG2      PRO   9  13.626  -3.605   8.446
   62    HG3  PRO   9           HG3      PRO   9  15.091  -4.213   7.651
   63    HD2  PRO   9           HD2      PRO   9  15.061  -1.925   9.099
   64    HD3  PRO   9           HD3      PRO   9  16.120  -2.151   7.692
   65    H    ILE  10           H        ILE  10  11.867   0.276   5.882
   66    HA   ILE  10           HA       ILE  10   9.628  -0.822   7.449
   67    HB   ILE  10           HB       ILE  10  10.117   2.069   6.724
   68   HG12  ILE  10          HG12      ILE  10  10.557   0.626   9.348
   69   HG13  ILE  10          HG13      ILE  10  11.822   1.229   8.284
   70   HG21  ILE  10          HG21      ILE  10   8.364   2.505   8.404
   71   HG22  ILE  10          HG22      ILE  10   7.773   1.572   7.030
   72   HG23  ILE  10          HG23      ILE  10   8.112   0.767   8.561
   73   HD11  ILE  10          HD11      ILE  10  11.505   2.728  10.143
   74   HD12  ILE  10          HD12      ILE  10  11.002   3.515   8.647
   75   HD13  ILE  10          HD13      ILE  10   9.790   2.883   9.762
   76    H    CYS  11           H        CYS  11   7.539  -0.754   6.611
   77    HA   CYS  11           HA       CYS  11   7.206   0.120   3.840
   78    HB2  CYS  11           HB2      CYS  11   7.598  -2.559   4.475
   79    HB3  CYS  11           HB3      CYS  11   5.850  -2.412   4.319
   80    H    PHE  12           H        PHE  12   5.303   1.091   3.486
   81    HA   PHE  12           HA       PHE  12   3.493   1.437   5.696
   82    HB2  PHE  12           HB2      PHE  12   3.875   2.647   3.020
   83    HB3  PHE  12           HB3      PHE  12   2.231   2.669   3.650
   84    HD1  PHE  12           HD1      PHE  12   1.580   4.403   5.017
   85    HD2  PHE  12           HD2      PHE  12   5.721   3.480   4.671
   86    HE1  PHE  12           HE1      PHE  12   2.131   6.373   6.384
   87    HE2  PHE  12           HE2      PHE  12   6.278   5.448   6.038
   88    HZ   PHE  12           HZ       PHE  12   4.482   6.897   6.898
   89    HA   PRO  13           HA       PRO  13   0.396  -1.513   4.722
   90    HB2  PRO  13           HB2      PRO  13  -1.895  -0.148   5.226
   91    HB3  PRO  13           HB3      PRO  13  -0.806  -0.701   6.504
   92    HG2  PRO  13           HG2      PRO  13  -1.052   2.015   5.268
   93    HG3  PRO  13           HG3      PRO  13  -0.861   1.576   6.975
   94    HD2  PRO  13           HD2      PRO  13   1.205   2.438   5.453
   95    HD3  PRO  13           HD3      PRO  13   1.414   1.268   6.772
   96    H    ASP  14           H        ASP  14  -0.280   1.698   3.347
   97    HA   ASP  14           HA       ASP  14  -2.131   0.998   1.420
   98    HB2  ASP  14           HB2      ASP  14  -1.058   2.957   0.101
   99    HB3  ASP  14           HB3      ASP  14  -1.790   3.293   1.668
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   1.287   1.326   1.134
    2    HA2  GLY   1           HA2      GLY   1   1.701  -1.215   0.312
    3    HA3  GLY   1           HA3      GLY   1   1.207  -0.417  -1.173
    4    H    ARG   2           H        ARG   2   2.450   2.128  -0.423
    5    HA   ARG   2           HA       ARG   2   4.944   1.787  -1.629
    6    HB2  ARG   2           HB2      ARG   2   3.804   4.016   0.048
    7    HB3  ARG   2           HB3      ARG   2   5.409   4.110  -0.665
    8    HG2  ARG   2           HG2      ARG   2   2.884   3.661  -2.240
    9    HG3  ARG   2           HG3      ARG   2   3.637   5.237  -1.985
   10    HD2  ARG   2           HD2      ARG   2   4.933   2.862  -3.318
   11    HD3  ARG   2           HD3      ARG   2   4.253   4.259  -4.150
   12    HE   ARG   2           HE       ARG   2   6.805   4.091  -2.881
   13   HH11  ARG   2          HH11      ARG   2   4.203   6.259  -3.688
   14   HH12  ARG   2          HH12      ARG   2   5.208   7.670  -3.701
   15   HH21  ARG   2          HH21      ARG   2   8.139   5.941  -2.895
   16   HH22  ARG   2          HH22      ARG   2   7.447   7.488  -3.250
   17    H    CYS   3           H        CYS   3   7.063   1.874  -0.815
   18    HA   CYS   3           HA       CYS   3   7.318   1.216   2.046
   19    HB2  CYS   3           HB2      CYS   3   8.667  -0.016  -0.347
   20    HB3  CYS   3           HB3      CYS   3   9.375  -0.125   1.262
   21    H    THR   4           H        THR   4   9.687   1.488   2.772
   22    HA   THR   4           HA       THR   4  10.433   4.213   2.179
   23    HB   THR   4           HB       THR   4  12.293   3.690   3.884
   24    HG1  THR   4           HG1      THR   4  11.853   1.320   3.590
   25   HG21  THR   4          HG21      THR   4  10.826   4.086   5.726
   26   HG22  THR   4          HG22      THR   4   9.458   3.381   4.865
   27   HG23  THR   4          HG23      THR   4  10.141   4.915   4.329
   28    H    GLN   5           H        GLN   5  12.964   4.568   2.149
   29    HA   GLN   5           HA       GLN   5  13.982   2.924  -0.067
   30    HB2  GLN   5           HB2      GLN   5  14.741   5.741   0.728
   31    HB3  GLN   5           HB3      GLN   5  15.384   4.855  -0.649
   32    HG2  GLN   5           HG2      GLN   5  12.981   4.696  -1.465
   33    HG3  GLN   5           HG3      GLN   5  12.609   5.912  -0.244
   34   HE21  GLN   5          HE21      GLN   5  12.748   5.802  -3.304
   35   HE22  GLN   5          HE22      GLN   5  13.623   7.234  -3.715
   36    H    ALA   6           H        ALA   6  15.369   4.923   2.545
   37    HA   ALA   6           HA       ALA   6  17.626   3.094   2.734
   38    HB1  ALA   6           HB1      ALA   6  17.077   5.867   3.546
   39    HB2  ALA   6           HB2      ALA   6  18.101   4.944   4.647
   40    HB3  ALA   6           HB3      ALA   6  18.565   5.127   2.955
   41    H    TRP   7           H        TRP   7  18.244   2.035   4.646
   42    HA   TRP   7           HA       TRP   7  16.223   0.785   6.084
   43    HB2  TRP   7           HB2      TRP   7  19.169   1.013   6.344
   44    HB3  TRP   7           HB3      TRP   7  18.295   0.492   7.782
   45    HD1  TRP   7           HD1      TRP   7  17.066  -0.573   4.327
   46    HE1  TRP   7           HE1      TRP   7  17.387  -3.115   4.083
   47    HE3  TRP   7           HE3      TRP   7  19.739  -1.467   8.593
   48    HZ2  TRP   7           HZ2      TRP   7  18.611  -5.221   5.510
   49    HZ3  TRP   7           HZ3      TRP   7  20.446  -3.773   9.080
   50    HH2  TRP   7           HH2      TRP   7  19.892  -5.610   7.569
   51    HA   PRO   8           HA       PRO   8  16.511  -0.233   8.348
   52    HB2  PRO   8           HB2      PRO   8  14.311  -0.500   9.915
   53    HB3  PRO   8           HB3      PRO   8  15.914  -0.136  10.564
   54    HG2  PRO   8           HG2      PRO   8  13.632   1.718  10.003
   55    HG3  PRO   8           HG3      PRO   8  14.716   1.671  11.406
   56    HD2  PRO   8           HD2      PRO   8  15.027   3.444   9.383
   57    HD3  PRO   8           HD3      PRO   8  16.400   2.791  10.300
   58    HA   PRO   9           HA       PRO   9  13.494  -1.312   5.337
   59    HB2  PRO   9           HB2      PRO   9  12.705  -3.784   6.135
   60    HB3  PRO   9           HB3      PRO   9  14.294  -3.464   5.430
   61    HG2  PRO   9           HG2      PRO   9  13.523  -3.765   8.307
   62    HG3  PRO   9           HG3      PRO   9  14.931  -4.420   7.452
   63    HD2  PRO   9           HD2      PRO   9  15.071  -2.210   9.012
   64    HD3  PRO   9           HD3      PRO   9  16.087  -2.429   7.573
   65    H    ILE  10           H        ILE  10  11.826   0.167   5.668
   66    HA   ILE  10           HA       ILE  10   9.625  -0.768   7.392
   67    HB   ILE  10           HB       ILE  10  10.110   2.088   6.552
   68   HG12  ILE  10          HG12      ILE  10  10.776   0.758   9.188
   69   HG13  ILE  10          HG13      ILE  10  11.951   1.269   7.982
   70   HG21  ILE  10          HG21      ILE  10   7.812   1.651   7.084
   71   HG22  ILE  10          HG22      ILE  10   8.267   0.821   8.571
   72   HG23  ILE  10          HG23      ILE  10   8.531   2.557   8.415
   73   HD11  ILE  10          HD11      ILE  10  10.337   3.504   8.551
   74   HD12  ILE  10          HD12      ILE  10  10.780   2.770  10.093
   75   HD13  ILE  10          HD13      ILE  10  12.035   3.249   8.950
   76    H    CYS  11           H        CYS  11   7.495  -0.558   6.620
   77    HA   CYS  11           HA       CYS  11   7.107   0.247   3.847
   78    HB2  CYS  11           HB2      CYS  11   6.799  -2.553   4.869
   79    HB3  CYS  11           HB3      CYS  11   5.739  -1.975   3.588
   80    H    PHE  12           H        PHE  12   5.212   1.249   3.568
   81    HA   PHE  12           HA       PHE  12   3.465   1.595   5.820
   82    HB2  PHE  12           HB2      PHE  12   3.658   2.731   3.066
   83    HB3  PHE  12           HB3      PHE  12   2.123   2.868   3.918
   84    HD1  PHE  12           HD1      PHE  12   4.837   4.687   3.121
   85    HD2  PHE  12           HD2      PHE  12   2.695   3.479   6.595
   86    HE1  PHE  12           HE1      PHE  12   5.690   6.655   4.328
   87    HE2  PHE  12           HE2      PHE  12   3.543   5.445   7.807
   88    HZ   PHE  12           HZ       PHE  12   5.042   7.036   6.673
   89    HA   PRO  13           HA       PRO  13   0.340  -1.364   4.974
   90    HB2  PRO  13           HB2      PRO  13  -1.934   0.004   5.548
   91    HB3  PRO  13           HB3      PRO  13  -0.800  -0.540   6.791
   92    HG2  PRO  13           HG2      PRO  13  -1.091   2.167   5.546
   93    HG3  PRO  13           HG3      PRO  13  -0.840   1.739   7.249
   94    HD2  PRO  13           HD2      PRO  13   1.172   2.592   5.650
   95    HD3  PRO  13           HD3      PRO  13   1.427   1.431   6.968
   96    H    ASP  14           H        ASP  14  -0.253   1.825   3.541
   97    HA   ASP  14           HA       ASP  14  -2.220   1.139   1.705
   98    HB2  ASP  14           HB2      ASP  14  -1.162   3.055   0.321
   99    HB3  ASP  14           HB3      ASP  14  -1.814   3.432   1.913
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   1.257   1.161   1.067
    2    HA2  GLY   1           HA2      GLY   1   1.576  -1.447   0.420
    3    HA3  GLY   1           HA3      GLY   1   1.087  -0.732  -1.109
    4    H    ARG   2           H        ARG   2   2.423   1.813  -0.544
    5    HA   ARG   2           HA       ARG   2   4.904   1.283  -1.733
    6    HB2  ARG   2           HB2      ARG   2   3.535   3.485  -1.614
    7    HB3  ARG   2           HB3      ARG   2   4.394   3.753  -0.103
    8    HG2  ARG   2           HG2      ARG   2   6.507   3.272  -1.573
    9    HG3  ARG   2           HG3      ARG   2   5.426   3.724  -2.893
   10    HD2  ARG   2           HD2      ARG   2   5.822   5.422  -0.441
   11    HD3  ARG   2           HD3      ARG   2   6.811   5.589  -1.891
   12    HE   ARG   2           HE       ARG   2   4.086   5.712  -2.589
   13   HH11  ARG   2          HH11      ARG   2   6.548   7.565  -0.969
   14   HH12  ARG   2          HH12      ARG   2   5.829   9.095  -1.346
   15   HH21  ARG   2          HH21      ARG   2   3.130   7.721  -3.093
   16   HH22  ARG   2          HH22      ARG   2   3.884   9.183  -2.554
   17    H    CYS   3           H        CYS   3   7.035   1.471  -0.913
   18    HA   CYS   3           HA       CYS   3   7.252   0.977   1.985
   19    HB2  CYS   3           HB2      CYS   3   8.732  -0.284  -0.319
   20    HB3  CYS   3           HB3      CYS   3   9.351  -0.338   1.328
   21    H    THR   4           H        THR   4   9.594   1.362   2.748
   22    HA   THR   4           HA       THR   4  10.252   4.089   2.081
   23    HB   THR   4           HB       THR   4  12.092   3.722   3.817
   24    HG1  THR   4           HG1      THR   4  11.714   1.280   3.500
   25   HG21  THR   4          HG21      THR   4   9.780   4.723   4.199
   26   HG22  THR   4          HG22      THR   4  10.609   4.083   5.618
   27   HG23  THR   4          HG23      THR   4   9.325   3.150   4.851
   28    H    GLN   5           H        GLN   5  12.762   4.545   2.050
   29    HA   GLN   5           HA       GLN   5  13.870   2.867  -0.098
   30    HB2  GLN   5           HB2      GLN   5  13.395   5.234  -0.682
   31    HB3  GLN   5           HB3      GLN   5  14.526   5.743   0.565
   32    HG2  GLN   5           HG2      GLN   5  15.522   5.821  -1.660
   33    HG3  GLN   5           HG3      GLN   5  16.350   4.673  -0.609
   34   HE21  GLN   5          HE21      GLN   5  14.210   5.037  -3.336
   35   HE22  GLN   5          HE22      GLN   5  14.388   3.430  -3.943
   36    H    ALA   6           H        ALA   6  15.079   5.015   2.485
   37    HA   ALA   6           HA       ALA   6  17.470   3.373   2.727
   38    HB1  ALA   6           HB1      ALA   6  16.807   6.114   3.231
   39    HB2  ALA   6           HB2      ALA   6  17.501   5.390   4.682
   40    HB3  ALA   6           HB3      ALA   6  18.392   5.344   3.160
   41    H    TRP   7           H        TRP   7  18.056   2.219   4.537
   42    HA   TRP   7           HA       TRP   7  16.113   0.917   6.001
   43    HB2  TRP   7           HB2      TRP   7  19.047   1.256   6.249
   44    HB3  TRP   7           HB3      TRP   7  18.203   0.693   7.689
   45    HD1  TRP   7           HD1      TRP   7  16.973  -0.401   4.247
   46    HE1  TRP   7           HE1      TRP   7  17.399  -2.926   3.979
   47    HE3  TRP   7           HE3      TRP   7  19.757  -1.207   8.459
   48    HZ2  TRP   7           HZ2      TRP   7  18.737  -4.986   5.369
   49    HZ3  TRP   7           HZ3      TRP   7  20.571  -3.483   8.917
   50    HH2  TRP   7           HH2      TRP   7  20.070  -5.332   7.403
   51    HA   PRO   8           HA       PRO   8  16.450  -0.110   8.254
   52    HB2  PRO   8           HB2      PRO   8  14.268  -0.477   9.827
   53    HB3  PRO   8           HB3      PRO   8  15.859  -0.056  10.473
   54    HG2  PRO   8           HG2      PRO   8  13.503   1.712   9.938
   55    HG3  PRO   8           HG3      PRO   8  14.594   1.694  11.336
   56    HD2  PRO   8           HD2      PRO   8  14.826   3.497   9.329
   57    HD3  PRO   8           HD3      PRO   8  16.228   2.890  10.234
   58    HA   PRO   9           HA       PRO   9  13.465  -1.280   5.245
   59    HB2  PRO   9           HB2      PRO   9  12.776  -3.788   6.024
   60    HB3  PRO   9           HB3      PRO   9  14.349  -3.399   5.317
   61    HG2  PRO   9           HG2      PRO   9  13.601  -3.755   8.193
   62    HG3  PRO   9           HG3      PRO   9  15.031  -4.347   7.328
   63    HD2  PRO   9           HD2      PRO   9  15.091  -2.148   8.906
   64    HD3  PRO   9           HD3      PRO   9  16.109  -2.314   7.461
   65    H    ILE  10           H        ILE  10  11.765   0.166   5.648
   66    HA   ILE  10           HA       ILE  10   9.590  -0.901   7.328
   67    HB   ILE  10           HB       ILE  10   9.999   2.000   6.608
   68   HG12  ILE  10          HG12      ILE  10  10.687   0.577   9.189
   69   HG13  ILE  10          HG13      ILE  10  11.854   1.174   8.015
   70   HG21  ILE  10          HG21      ILE  10   7.710   1.478   7.106
   71   HG22  ILE  10          HG22      ILE  10   8.180   0.605   8.563
   72   HG23  ILE  10          HG23      ILE  10   8.397   2.352   8.475
   73   HD11  ILE  10          HD11      ILE  10  11.038   3.460   8.414
   74   HD12  ILE  10          HD12      ILE  10   9.946   2.829   9.648
   75   HD13  ILE  10          HD13      ILE  10  11.691   2.700   9.865
   76    H    CYS  11           H        CYS  11   7.458  -0.727   6.559
   77    HA   CYS  11           HA       CYS  11   7.096   0.112   3.781
   78    HB2  CYS  11           HB2      CYS  11   6.634  -2.649   4.865
   79    HB3  CYS  11           HB3      CYS  11   5.661  -2.048   3.526
   80    H    PHE  12           H        PHE  12   5.246   1.187   3.475
   81    HA   PHE  12           HA       PHE  12   3.522   1.694   5.699
   82    HB2  PHE  12           HB2      PHE  12   3.701   2.637   2.873
   83    HB3  PHE  12           HB3      PHE  12   2.184   2.871   3.734
   84    HD1  PHE  12           HD1      PHE  12   4.929   4.562   2.779
   85    HD2  PHE  12           HD2      PHE  12   2.812   3.645   6.356
   86    HE1  PHE  12           HE1      PHE  12   5.849   6.583   3.838
   87    HE2  PHE  12           HE2      PHE  12   3.729   5.665   7.420
   88    HZ   PHE  12           HZ       PHE  12   5.248   7.138   6.161
   89    HA   PRO  13           HA       PRO  13   0.309  -1.230   5.099
   90    HB2  PRO  13           HB2      PRO  13  -1.919   0.233   5.612
   91    HB3  PRO  13           HB3      PRO  13  -0.780  -0.256   6.872
   92    HG2  PRO  13           HG2      PRO  13  -1.021   2.368   5.451
   93    HG3  PRO  13           HG3      PRO  13  -0.754   2.049   7.175
   94    HD2  PRO  13           HD2      PRO  13   1.253   2.738   5.494
   95    HD3  PRO  13           HD3      PRO  13   1.499   1.662   6.885
   96    H    ASP  14           H        ASP  14  -0.233   1.872   3.467
   97    HA   ASP  14           HA       ASP  14  -2.243   1.121   1.710
   98    HB2  ASP  14           HB2      ASP  14  -1.150   2.901   0.178
   99    HB3  ASP  14           HB3      ASP  14  -1.767   3.408   1.749
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   1.322   2.158   0.191
    2    HA2  GLY   1           HA2      GLY   1   1.985  -0.305   1.110
    3    HA3  GLY   1           HA3      GLY   1   1.576  -0.614  -0.571
    4    H    ARG   2           H        ARG   2   3.126   2.289   0.698
    5    HA   ARG   2           HA       ARG   2   5.242   2.044  -1.233
    6    HB2  ARG   2           HB2      ARG   2   4.415   4.072   0.793
    7    HB3  ARG   2           HB3      ARG   2   6.070   4.116   0.201
    8    HG2  ARG   2           HG2      ARG   2   5.073   5.533  -1.277
    9    HG3  ARG   2           HG3      ARG   2   4.891   4.007  -2.144
   10    HD2  ARG   2           HD2      ARG   2   2.627   3.807  -1.521
   11    HD3  ARG   2           HD3      ARG   2   2.776   5.055  -0.285
   12    HE   ARG   2           HE       ARG   2   2.308   5.443  -3.093
   13   HH11  ARG   2          HH11      ARG   2   3.543   6.878  -0.172
   14   HH12  ARG   2          HH12      ARG   2   3.298   8.505  -0.712
   15   HH21  ARG   2          HH21      ARG   2   1.980   7.581  -3.816
   16   HH22  ARG   2          HH22      ARG   2   2.408   8.904  -2.785
   17    H    CYS   3           H        CYS   3   7.553   2.374  -0.527
   18    HA   CYS   3           HA       CYS   3   8.142   0.972   1.988
   19    HB2  CYS   3           HB2      CYS   3   8.939   0.217  -0.777
   20    HB3  CYS   3           HB3      CYS   3  10.147   0.024   0.489
   21    H    THR   4           H        THR   4  10.587   1.120   2.456
   22    HA   THR   4           HA       THR   4  11.426   3.891   1.922
   23    HB   THR   4           HB       THR   4  12.858   3.579   3.998
   24    HG1  THR   4           HG1      THR   4  12.785   1.345   4.216
   25   HG21  THR   4          HG21      THR   4   9.862   3.397   4.346
   26   HG22  THR   4          HG22      THR   4  10.766   4.871   3.999
   27   HG23  THR   4          HG23      THR   4  11.010   4.026   5.527
   28    H    GLN   5           H        GLN   5  13.005   4.055   0.480
   29    HA   GLN   5           HA       GLN   5  14.533   1.983  -0.542
   30    HB2  GLN   5           HB2      GLN   5  14.865   4.959  -0.501
   31    HB3  GLN   5           HB3      GLN   5  16.155   3.953  -1.147
   32    HG2  GLN   5           HG2      GLN   5  13.368   3.553  -2.119
   33    HG3  GLN   5           HG3      GLN   5  14.308   4.921  -2.712
   34   HE21  GLN   5          HE21      GLN   5  16.053   4.565  -4.043
   35   HE22  GLN   5          HE22      GLN   5  16.384   3.032  -4.767
   36    H    ALA   6           H        ALA   6  15.153   4.081   2.207
   37    HA   ALA   6           HA       ALA   6  17.746   2.797   2.655
   38    HB1  ALA   6           HB1      ALA   6  17.472   5.304   2.761
   39    HB2  ALA   6           HB2      ALA   6  16.558   5.054   4.249
   40    HB3  ALA   6           HB3      ALA   6  18.247   4.554   4.157
   41    H    TRP   7           H        TRP   7  18.004   2.927   5.356
   42    HA   TRP   7           HA       TRP   7  16.037   0.935   6.251
   43    HB2  TRP   7           HB2      TRP   7  18.937   1.318   6.706
   44    HB3  TRP   7           HB3      TRP   7  18.009   0.765   8.097
   45    HD1  TRP   7           HD1      TRP   7  17.078  -0.384   4.569
   46    HE1  TRP   7           HE1      TRP   7  17.528  -2.911   4.382
   47    HE3  TRP   7           HE3      TRP   7  19.448  -1.121   9.039
   48    HZ2  TRP   7           HZ2      TRP   7  18.727  -4.948   5.924
   49    HZ3  TRP   7           HZ3      TRP   7  20.214  -3.389   9.607
   50    HH2  TRP   7           HH2      TRP   7  19.860  -5.262   8.081
   51    HA   PRO   8           HA       PRO   8  16.232  -0.095   8.525
   52    HB2  PRO   8           HB2      PRO   8  13.948  -0.519   9.930
   53    HB3  PRO   8           HB3      PRO   8  15.475  -0.064  10.694
   54    HG2  PRO   8           HG2      PRO   8  13.125   1.651   9.988
   55    HG3  PRO   8           HG3      PRO   8  14.109   1.654  11.463
   56    HD2  PRO   8           HD2      PRO   8  14.448   3.468   9.482
   57    HD3  PRO   8           HD3      PRO   8  15.792   2.891  10.489
   58    HA   PRO   9           HA       PRO   9  13.533  -1.272   5.258
   59    HB2  PRO   9           HB2      PRO   9  12.972  -3.852   5.887
   60    HB3  PRO   9           HB3      PRO   9  14.553  -3.330   5.292
   61    HG2  PRO   9           HG2      PRO   9  13.668  -3.867   8.101
   62    HG3  PRO   9           HG3      PRO   9  15.182  -4.323   7.299
   63    HD2  PRO   9           HD2      PRO   9  15.002  -2.200   8.970
   64    HD3  PRO   9           HD3      PRO   9  16.110  -2.232   7.583
   65    H    ILE  10           H        ILE  10  11.851   0.237   6.065
   66    HA   ILE  10           HA       ILE  10   9.550  -1.218   7.194
   67    HB   ILE  10           HB       ILE  10   8.737   0.842   8.139
   68   HG12  ILE  10          HG12      ILE  10  10.915   2.625   7.851
   69   HG13  ILE  10          HG13      ILE  10  10.543   2.021   6.240
   70   HG21  ILE  10          HG21      ILE  10  11.666   0.615   8.805
   71   HG22  ILE  10          HG22      ILE  10  10.371   1.199   9.848
   72   HG23  ILE  10          HG23      ILE  10  10.430  -0.501   9.385
   73   HD11  ILE  10          HD11      ILE  10   8.849   3.427   6.112
   74   HD12  ILE  10          HD12      ILE  10   8.098   2.663   7.514
   75   HD13  ILE  10          HD13      ILE  10   9.209   4.015   7.735
   76    H    CYS  11           H        CYS  11   7.500  -0.831   6.319
   77    HA   CYS  11           HA       CYS  11   7.350   0.796   3.892
   78    HB2  CYS  11           HB2      CYS  11   6.526  -2.112   4.033
   79    HB3  CYS  11           HB3      CYS  11   6.199  -1.032   2.681
   80    H    PHE  12           H        PHE  12   5.349   1.667   3.483
   81    HA   PHE  12           HA       PHE  12   3.525   1.737   5.699
   82    HB2  PHE  12           HB2      PHE  12   3.755   3.135   3.072
   83    HB3  PHE  12           HB3      PHE  12   2.193   3.140   3.884
   84    HD1  PHE  12           HD1      PHE  12   2.666   3.511   6.623
   85    HD2  PHE  12           HD2      PHE  12   4.860   5.116   3.348
   86    HE1  PHE  12           HE1      PHE  12   3.408   5.381   8.041
   87    HE2  PHE  12           HE2      PHE  12   5.606   6.988   4.761
   88    HZ   PHE  12           HZ       PHE  12   4.881   7.121   7.111
   89    HA   PRO  13           HA       PRO  13   0.536  -1.232   4.479
   90    HB2  PRO  13           HB2      PRO  13  -1.801  -0.003   5.110
   91    HB3  PRO  13           HB3      PRO  13  -0.683  -0.625   6.330
   92    HG2  PRO  13           HG2      PRO  13  -1.038   2.177   5.339
   93    HG3  PRO  13           HG3      PRO  13  -0.819   1.597   7.001
   94    HD2  PRO  13           HD2      PRO  13   1.204   2.667   5.553
   95    HD3  PRO  13           HD3      PRO  13   1.464   1.394   6.763
   96    H    ASP  14           H        ASP  14  -0.179   2.060   3.358
   97    HA   ASP  14           HA       ASP  14  -2.064   1.531   1.420
   98    HB2  ASP  14           HB2      ASP  14  -0.907   3.531   0.197
   99    HB3  ASP  14           HB3      ASP  14  -1.680   3.794   1.758
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   1.406   1.419   0.574
    2    HA2  GLY   1           HA2      GLY   1   2.219  -0.763  -0.954
    3    HA3  GLY   1           HA3      GLY   1   1.752   0.501  -2.083
    4    H    ARG   2           H        ARG   2   2.608   2.647  -0.266
    5    HA   ARG   2           HA       ARG   2   5.142   3.137  -1.229
    6    HB2  ARG   2           HB2      ARG   2   3.656   4.813  -0.146
    7    HB3  ARG   2           HB3      ARG   2   4.045   4.105   1.416
    8    HG2  ARG   2           HG2      ARG   2   6.385   4.701   1.122
    9    HG3  ARG   2           HG3      ARG   2   6.019   5.380  -0.466
   10    HD2  ARG   2           HD2      ARG   2   4.571   6.348   1.966
   11    HD3  ARG   2           HD3      ARG   2   6.184   6.952   1.593
   12    HE   ARG   2           HE       ARG   2   3.752   7.660   0.292
   13   HH11  ARG   2          HH11      ARG   2   7.164   7.196  -0.225
   14   HH12  ARG   2          HH12      ARG   2   7.241   8.290  -1.567
   15   HH21  ARG   2          HH21      ARG   2   3.842   9.102  -1.473
   16   HH22  ARG   2          HH22      ARG   2   5.351   9.374  -2.275
   17    H    CYS   3           H        CYS   3   7.224   2.859  -0.480
   18    HA   CYS   3           HA       CYS   3   7.760   1.570   2.035
   19    HB2  CYS   3           HB2      CYS   3   7.141  -0.390   0.740
   20    HB3  CYS   3           HB3      CYS   3   8.243   0.078  -0.551
   21    H    THR   4           H        THR   4   9.826   1.910   2.716
   22    HA   THR   4           HA       THR   4  11.389   3.818   1.253
   23    HB   THR   4           HB       THR   4  13.008   3.566   3.160
   24    HG1  THR   4           HG1      THR   4  12.187   1.326   3.596
   25   HG21  THR   4          HG21      THR   4  11.552   5.334   3.483
   26   HG22  THR   4          HG22      THR   4  11.232   4.350   4.911
   27   HG23  THR   4          HG23      THR   4  10.132   4.291   3.535
   28    H    GLN   5           H        GLN   5  12.930   3.411  -0.183
   29    HA   GLN   5           HA       GLN   5  13.648   0.801  -0.958
   30    HB2  GLN   5           HB2      GLN   5  15.356   1.919  -2.368
   31    HB3  GLN   5           HB3      GLN   5  13.754   2.624  -2.539
   32    HG2  GLN   5           HG2      GLN   5  14.455   4.392  -0.915
   33    HG3  GLN   5           HG3      GLN   5  16.089   3.737  -1.010
   34   HE21  GLN   5          HE21      GLN   5  13.505   5.231  -2.855
   35   HE22  GLN   5          HE22      GLN   5  14.513   5.880  -4.099
   36    H    ALA   6           H        ALA   6  15.247   3.191   1.087
   37    HA   ALA   6           HA       ALA   6  17.428   1.302   1.608
   38    HB1  ALA   6           HB1      ALA   6  18.298   3.414   1.086
   39    HB2  ALA   6           HB2      ALA   6  17.115   4.248   2.095
   40    HB3  ALA   6           HB3      ALA   6  18.407   3.308   2.843
   41    H    TRP   7           H        TRP   7  18.247   1.796   4.065
   42    HA   TRP   7           HA       TRP   7  16.062   0.789   5.706
   43    HB2  TRP   7           HB2      TRP   7  19.016   0.689   5.806
   44    HB3  TRP   7           HB3      TRP   7  18.203   0.778   7.366
   45    HD1  TRP   7           HD1      TRP   7  16.624  -1.151   4.465
   46    HE1  TRP   7           HE1      TRP   7  16.599  -3.655   5.058
   47    HE3  TRP   7           HE3      TRP   7  19.404  -0.996   8.752
   48    HZ2  TRP   7           HZ2      TRP   7  17.623  -5.342   7.076
   49    HZ3  TRP   7           HZ3      TRP   7  19.835  -3.099   9.955
   50    HH2  TRP   7           HH2      TRP   7  18.961  -5.226   9.133
   51    HA   PRO   8           HA       PRO   8  16.368   0.446   8.166
   52    HB2  PRO   8           HB2      PRO   8  14.245   0.916   9.792
   53    HB3  PRO   8           HB3      PRO   8  15.913   1.257  10.268
   54    HG2  PRO   8           HG2      PRO   8  13.817   3.128   9.234
   55    HG3  PRO   8           HG3      PRO   8  14.969   3.361  10.563
   56    HD2  PRO   8           HD2      PRO   8  15.354   4.417   8.099
   57    HD3  PRO   8           HD3      PRO   8  16.698   3.899   9.137
   58    HA   PRO   9           HA       PRO   9  13.085  -1.091   5.678
   59    HB2  PRO   9           HB2      PRO   9  12.081  -3.111   7.188
   60    HB3  PRO   9           HB3      PRO   9  13.652  -3.202   6.384
   61    HG2  PRO   9           HG2      PRO   9  13.019  -2.560   9.239
   62    HG3  PRO   9           HG3      PRO   9  14.298  -3.598   8.583
   63    HD2  PRO   9           HD2      PRO   9  14.764  -1.065   9.417
   64    HD3  PRO   9           HD3      PRO   9  15.667  -1.812   8.083
   65    H    ILE  10           H        ILE  10  11.846   0.933   5.951
   66    HA   ILE  10           HA       ILE  10   9.460   0.534   7.636
   67    HB   ILE  10           HB       ILE  10  10.667   3.152   6.732
   68   HG12  ILE  10          HG12      ILE  10  11.979   2.066   8.497
   69   HG13  ILE  10          HG13      ILE  10  11.159   3.495   9.117
   70   HG21  ILE  10          HG21      ILE  10   8.950   4.004   8.472
   71   HG22  ILE  10          HG22      ILE  10   8.396   3.586   6.852
   72   HG23  ILE  10          HG23      ILE  10   8.147   2.461   8.186
   73   HD11  ILE  10          HD11      ILE  10   9.375   1.445   9.605
   74   HD12  ILE  10          HD12      ILE  10  10.954   0.736   9.946
   75   HD13  ILE  10          HD13      ILE  10  10.451   2.209  10.775
   76    H    CYS  11           H        CYS  11   7.813  -0.112   6.421
   77    HA   CYS  11           HA       CYS  11   7.238   1.356   3.949
   78    HB2  CYS  11           HB2      CYS  11   6.962  -1.645   4.124
   79    HB3  CYS  11           HB3      CYS  11   6.802  -0.629   2.695
   80    H    PHE  12           H        PHE  12   4.998   1.158   3.247
   81    HA   PHE  12           HA       PHE  12   3.200   0.704   5.534
   82    HB2  PHE  12           HB2      PHE  12   3.216   2.707   3.322
   83    HB3  PHE  12           HB3      PHE  12   1.661   2.195   3.968
   84    HD1  PHE  12           HD1      PHE  12   0.853   3.054   5.988
   85    HD2  PHE  12           HD2      PHE  12   4.920   3.681   4.900
   86    HE1  PHE  12           HE1      PHE  12   1.103   4.642   7.851
   87    HE2  PHE  12           HE2      PHE  12   5.176   5.269   6.762
   88    HZ   PHE  12           HZ       PHE  12   3.267   5.751   8.241
   89    HA   PRO  13           HA       PRO  13   0.985  -2.436   3.420
   90    HB2  PRO  13           HB2      PRO  13  -1.588  -1.898   4.101
   91    HB3  PRO  13           HB3      PRO  13  -0.408  -2.550   5.244
   92    HG2  PRO  13           HG2      PRO  13  -1.332   0.274   4.879
   93    HG3  PRO  13           HG3      PRO  13  -1.055  -0.627   6.381
   94    HD2  PRO  13           HD2      PRO  13   0.738   1.147   5.395
   95    HD3  PRO  13           HD3      PRO  13   1.225  -0.296   6.307
   96    H    ASP  14           H        ASP  14  -0.328   0.828   2.984
   97    HA   ASP  14           HA       ASP  14  -2.016   0.428   0.846
   98    HB2  ASP  14           HB2      ASP  14  -1.197   2.816   0.159
   99    HB3  ASP  14           HB3      ASP  14  -2.062   2.593   1.677
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   1.842   1.715   0.986
    2    HA2  GLY   1           HA2      GLY   1   2.254  -0.795   0.074
    3    HA3  GLY   1           HA3      GLY   1   1.866   0.080  -1.400
    4    H    ARG   2           H        ARG   2   3.112   2.560  -0.456
    5    HA   ARG   2           HA       ARG   2   5.652   2.250  -1.547
    6    HB2  ARG   2           HB2      ARG   2   4.736   4.376   0.399
    7    HB3  ARG   2           HB3      ARG   2   6.134   4.483  -0.662
    8    HG2  ARG   2           HG2      ARG   2   4.726   4.486  -2.608
    9    HG3  ARG   2           HG3      ARG   2   3.295   4.199  -1.617
   10    HD2  ARG   2           HD2      ARG   2   3.803   6.367  -0.448
   11    HD3  ARG   2           HD3      ARG   2   5.035   6.656  -1.676
   12    HE   ARG   2           HE       ARG   2   3.378   7.178  -3.171
   13   HH11  ARG   2          HH11      ARG   2   1.976   5.604  -0.400
   14   HH12  ARG   2          HH12      ARG   2   0.343   5.924  -0.881
   15   HH21  ARG   2          HH21      ARG   2   1.232   7.605  -3.815
   16   HH22  ARG   2          HH22      ARG   2  -0.080   7.062  -2.824
   17    H    CYS   3           H        CYS   3   7.719   2.120  -0.668
   18    HA   CYS   3           HA       CYS   3   7.882   1.439   2.189
   19    HB2  CYS   3           HB2      CYS   3   7.921  -0.588   0.649
   20    HB3  CYS   3           HB3      CYS   3   9.467   0.010   0.055
   21    H    THR   4           H        THR   4   9.980   1.753   3.147
   22    HA   THR   4           HA       THR   4  11.245   4.143   2.220
   23    HB   THR   4           HB       THR   4  12.859   3.653   4.146
   24    HG1  THR   4           HG1      THR   4  12.640   1.533   4.579
   25   HG21  THR   4          HG21      THR   4  10.880   5.166   4.274
   26   HG22  THR   4          HG22      THR   4  11.283   4.393   5.808
   27   HG23  THR   4          HG23      THR   4   9.927   3.798   4.850
   28    H    GLN   5           H        GLN   5  12.727   4.228   0.675
   29    HA   GLN   5           HA       GLN   5  13.973   2.043  -0.509
   30    HB2  GLN   5           HB2      GLN   5  13.733   4.441  -1.384
   31    HB3  GLN   5           HB3      GLN   5  15.185   4.799  -0.459
   32    HG2  GLN   5           HG2      GLN   5  16.534   3.553  -1.826
   33    HG3  GLN   5           HG3      GLN   5  15.218   2.504  -2.350
   34   HE21  GLN   5          HE21      GLN   5  14.476   2.829  -4.317
   35   HE22  GLN   5          HE22      GLN   5  14.639   4.279  -5.242
   36    H    ALA   6           H        ALA   6  15.008   4.073   2.166
   37    HA   ALA   6           HA       ALA   6  17.521   2.581   2.372
   38    HB1  ALA   6           HB1      ALA   6  18.428   4.424   3.243
   39    HB2  ALA   6           HB2      ALA   6  16.969   5.253   2.702
   40    HB3  ALA   6           HB3      ALA   6  17.084   4.662   4.360
   41    H    TRP   7           H        TRP   7  18.049   2.710   5.036
   42    HA   TRP   7           HA       TRP   7  16.068   0.840   6.122
   43    HB2  TRP   7           HB2      TRP   7  18.996   1.171   6.404
   44    HB3  TRP   7           HB3      TRP   7  18.135   0.672   7.857
   45    HD1  TRP   7           HD1      TRP   7  17.072  -0.526   4.371
   46    HE1  TRP   7           HE1      TRP   7  17.427  -3.072   4.240
   47    HE3  TRP   7           HE3      TRP   7  19.469  -1.242   8.830
   48    HZ2  TRP   7           HZ2      TRP   7  18.570  -5.114   5.819
   49    HZ3  TRP   7           HZ3      TRP   7  20.160  -3.522   9.444
   50    HH2  TRP   7           HH2      TRP   7  19.718  -5.417   7.969
   51    HA   PRO   8           HA       PRO   8  16.355  -0.134   8.404
   52    HB2  PRO   8           HB2      PRO   8  14.139  -0.460   9.939
   53    HB3  PRO   8           HB3      PRO   8  15.717  -0.027  10.609
   54    HG2  PRO   8           HG2      PRO   8  13.377   1.732   9.983
   55    HG3  PRO   8           HG3      PRO   8  14.439   1.746  11.404
   56    HD2  PRO   8           HD2      PRO   8  14.717   3.500   9.360
   57    HD3  PRO   8           HD3      PRO   8  16.098   2.912  10.309
   58    HA   PRO   9           HA       PRO   9  13.449  -1.331   5.329
   59    HB2  PRO   9           HB2      PRO   9  12.826  -3.865   6.080
   60    HB3  PRO   9           HB3      PRO   9  14.393  -3.425   5.391
   61    HG2  PRO   9           HG2      PRO   9  13.630  -3.827   8.258
   62    HG3  PRO   9           HG3      PRO   9  15.084  -4.370   7.400
   63    HD2  PRO   9           HD2      PRO   9  15.066  -2.183   8.997
   64    HD3  PRO   9           HD3      PRO   9  16.102  -2.308   7.561
   65    H    ILE  10           H        ILE  10  11.857   0.260   6.131
   66    HA   ILE  10           HA       ILE  10   9.570  -1.058   7.445
   67    HB   ILE  10           HB       ILE  10  10.434   0.710   8.856
   68   HG12  ILE  10          HG12      ILE  10   8.010   1.960   7.620
   69   HG13  ILE  10          HG13      ILE  10   7.878   0.359   8.338
   70   HG21  ILE  10          HG21      ILE  10  10.675   2.975   8.162
   71   HG22  ILE  10          HG22      ILE  10  11.515   1.973   6.980
   72   HG23  ILE  10          HG23      ILE  10   9.927   2.639   6.601
   73   HD11  ILE  10          HD11      ILE  10   8.010   1.152  10.430
   74   HD12  ILE  10          HD12      ILE  10   9.210   2.374  10.006
   75   HD13  ILE  10          HD13      ILE  10   7.502   2.663   9.677
   76    H    CYS  11           H        CYS  11   7.836  -1.330   6.217
   77    HA   CYS  11           HA       CYS  11   7.519   0.376   3.836
   78    HB2  CYS  11           HB2      CYS  11   6.533  -2.450   4.276
   79    HB3  CYS  11           HB3      CYS  11   6.293  -1.495   2.817
   80    H    PHE  12           H        PHE  12   5.602   1.385   3.470
   81    HA   PHE  12           HA       PHE  12   3.819   1.669   5.700
   82    HB2  PHE  12           HB2      PHE  12   4.095   2.925   3.007
   83    HB3  PHE  12           HB3      PHE  12   2.547   3.063   3.834
   84    HD1  PHE  12           HD1      PHE  12   3.083   3.529   6.550
   85    HD2  PHE  12           HD2      PHE  12   5.316   4.850   3.175
   86    HE1  PHE  12           HE1      PHE  12   3.956   5.413   7.869
   87    HE2  PHE  12           HE2      PHE  12   6.193   6.736   4.490
   88    HZ   PHE  12           HZ       PHE  12   5.513   7.020   6.840
   89    HA   PRO  13           HA       PRO  13   0.628  -1.157   4.665
   90    HB2  PRO  13           HB2      PRO  13  -1.617   0.250   5.257
   91    HB3  PRO  13           HB3      PRO  13  -0.524  -0.380   6.495
   92    HG2  PRO  13           HG2      PRO  13  -0.714   2.386   5.365
   93    HG3  PRO  13           HG3      PRO  13  -0.510   1.877   7.052
   94    HD2  PRO  13           HD2      PRO  13   1.557   2.740   5.530
   95    HD3  PRO  13           HD3      PRO  13   1.753   1.516   6.801
   96    H    ASP  14           H        ASP  14   0.295   2.081   3.299
   97    HA   ASP  14           HA       ASP  14  -1.689   1.500   1.396
   98    HB2  ASP  14           HB2      ASP  14  -0.647   3.508   0.171
   99    HB3  ASP  14           HB3      ASP  14  -1.295   3.783   1.786
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   1.687   0.066   0.812
    2    HA2  GLY   1           HA2      GLY   1   2.139  -0.499  -1.765
    3    HA3  GLY   1           HA3      GLY   1   1.325   1.053  -1.898
    4    H    ARG   2           H        ARG   2   2.299   2.627  -0.049
    5    HA   ARG   2           HA       ARG   2   4.773   3.445  -0.957
    6    HB2  ARG   2           HB2      ARG   2   3.053   4.664   0.546
    7    HB3  ARG   2           HB3      ARG   2   3.920   3.923   1.885
    8    HG2  ARG   2           HG2      ARG   2   5.534   5.370  -0.130
    9    HG3  ARG   2           HG3      ARG   2   4.515   6.334   0.941
   10    HD2  ARG   2           HD2      ARG   2   5.705   5.771   2.806
   11    HD3  ARG   2           HD3      ARG   2   6.174   4.198   2.163
   12    HE   ARG   2           HE       ARG   2   8.079   5.157   1.357
   13   HH11  ARG   2          HH11      ARG   2   5.737   7.663   1.955
   14   HH12  ARG   2          HH12      ARG   2   6.836   8.955   1.604
   15   HH21  ARG   2          HH21      ARG   2   9.536   6.850   0.892
   16   HH22  ARG   2          HH22      ARG   2   8.996   8.491   0.998
   17    H    CYS   3           H        CYS   3   6.886   3.236  -0.232
   18    HA   CYS   3           HA       CYS   3   7.559   1.590   2.019
   19    HB2  CYS   3           HB2      CYS   3   7.005  -0.144   0.359
   20    HB3  CYS   3           HB3      CYS   3   8.174   0.554  -0.757
   21    H    THR   4           H        THR   4   9.710   1.787   2.625
   22    HA   THR   4           HA       THR   4  11.122   3.998   1.364
   23    HB   THR   4           HB       THR   4  12.643   3.857   3.321
   24    HG1  THR   4           HG1      THR   4  12.215   1.535   3.652
   25   HG21  THR   4          HG21      THR   4   9.704   3.951   4.015
   26   HG22  THR   4          HG22      THR   4  10.670   5.298   3.414
   27   HG23  THR   4          HG23      THR   4  11.014   4.603   4.997
   28    H    GLN   5           H        GLN   5  12.624   3.659  -0.125
   29    HA   GLN   5           HA       GLN   5  13.568   1.127  -0.874
   30    HB2  GLN   5           HB2      GLN   5  13.519   3.164  -2.327
   31    HB3  GLN   5           HB3      GLN   5  14.897   3.783  -1.427
   32    HG2  GLN   5           HG2      GLN   5  16.039   1.572  -2.091
   33    HG3  GLN   5           HG3      GLN   5  14.761   1.459  -3.300
   34   HE21  GLN   5          HE21      GLN   5  16.742   1.514  -4.684
   35   HE22  GLN   5          HE22      GLN   5  17.305   3.063  -5.199
   36    H    ALA   6           H        ALA   6  15.032   3.662   1.117
   37    HA   ALA   6           HA       ALA   6  17.367   2.003   1.633
   38    HB1  ALA   6           HB1      ALA   6  16.736   4.712   2.787
   39    HB2  ALA   6           HB2      ALA   6  18.303   3.903   2.728
   40    HB3  ALA   6           HB3      ALA   6  17.545   4.467   1.239
   41    H    TRP   7           H        TRP   7  18.003   2.609   4.210
   42    HA   TRP   7           HA       TRP   7  15.951   1.123   5.686
   43    HB2  TRP   7           HB2      TRP   7  18.902   1.304   5.829
   44    HB3  TRP   7           HB3      TRP   7  18.065   1.155   7.372
   45    HD1  TRP   7           HD1      TRP   7  16.744  -0.621   4.249
   46    HE1  TRP   7           HE1      TRP   7  16.959  -3.162   4.597
   47    HE3  TRP   7           HE3      TRP   7  19.397  -0.620   8.619
   48    HZ2  TRP   7           HZ2      TRP   7  18.102  -4.932   6.476
   49    HZ3  TRP   7           HZ3      TRP   7  20.011  -2.779   9.627
   50    HH2  TRP   7           HH2      TRP   7  19.376  -4.889   8.576
   51    HA   PRO   8           HA       PRO   8  16.229   0.590   8.099
   52    HB2  PRO   8           HB2      PRO   8  14.040   0.728   9.699
   53    HB3  PRO   8           HB3      PRO   8  15.662   1.162  10.251
   54    HG2  PRO   8           HG2      PRO   8  13.435   2.939   9.332
   55    HG3  PRO   8           HG3      PRO   8  14.535   3.143  10.709
   56    HD2  PRO   8           HD2      PRO   8  14.879   4.451   8.362
   57    HD3  PRO   8           HD3      PRO   8  16.241   3.953   9.387
   58    HA   PRO   9           HA       PRO   9  13.174  -0.928   5.322
   59    HB2  PRO   9           HB2      PRO   9  12.460  -3.265   6.504
   60    HB3  PRO   9           HB3      PRO   9  14.020  -3.029   5.707
   61    HG2  PRO   9           HG2      PRO   9  13.343  -2.909   8.621
   62    HG3  PRO   9           HG3      PRO   9  14.738  -3.662   7.827
   63    HD2  PRO   9           HD2      PRO   9  14.881  -1.243   9.035
   64    HD3  PRO   9           HD3      PRO   9  15.857  -1.659   7.611
   65    H    ILE  10           H        ILE  10  11.739   0.910   6.004
   66    HA   ILE  10           HA       ILE  10   9.395  -0.101   7.479
   67    HB   ILE  10           HB       ILE  10  10.411   1.715   8.710
   68   HG12  ILE  10          HG12      ILE  10   8.040   2.959   7.341
   69   HG13  ILE  10          HG13      ILE  10   7.851   1.523   8.343
   70   HG21  ILE  10          HG21      ILE  10  11.538   2.699   6.676
   71   HG22  ILE  10          HG22      ILE  10  10.005   3.494   6.319
   72   HG23  ILE  10          HG23      ILE  10  10.860   3.860   7.818
   73   HD11  ILE  10          HD11      ILE  10   7.435   3.131   9.887
   74   HD12  ILE  10          HD12      ILE  10   9.184   3.002  10.076
   75   HD13  ILE  10          HD13      ILE  10   8.495   4.309   9.113
   76    H    CYS  11           H        CYS  11   7.685  -0.444   6.240
   77    HA   CYS  11           HA       CYS  11   7.132   1.389   4.020
   78    HB2  CYS  11           HB2      CYS  11   6.869  -1.604   3.724
   79    HB3  CYS  11           HB3      CYS  11   6.700  -0.380   2.471
   80    H    PHE  12           H        PHE  12   4.972   1.725   3.590
   81    HA   PHE  12           HA       PHE  12   3.159   1.049   5.720
   82    HB2  PHE  12           HB2      PHE  12   3.076   2.811   3.315
   83    HB3  PHE  12           HB3      PHE  12   1.545   2.295   4.014
   84    HD1  PHE  12           HD1      PHE  12   3.580   4.960   3.911
   85    HD2  PHE  12           HD2      PHE  12   1.845   2.374   6.812
   86    HE1  PHE  12           HE1      PHE  12   3.759   6.740   5.600
   87    HE2  PHE  12           HE2      PHE  12   2.020   4.150   8.505
   88    HZ   PHE  12           HZ       PHE  12   2.977   6.337   7.900
   89    HA   PRO  13           HA       PRO  13   1.051  -2.380   3.979
   90    HB2  PRO  13           HB2      PRO  13  -1.541  -1.863   4.600
   91    HB3  PRO  13           HB3      PRO  13  -0.340  -2.338   5.807
   92    HG2  PRO  13           HG2      PRO  13  -1.366   0.391   5.128
   93    HG3  PRO  13           HG3      PRO  13  -1.059  -0.325   6.721
   94    HD2  PRO  13           HD2      PRO  13   0.669   1.391   5.537
   95    HD3  PRO  13           HD3      PRO  13   1.207   0.079   6.605
   96    H    ASP  14           H        ASP  14  -0.105   0.808   3.070
   97    HA   ASP  14           HA       ASP  14  -1.914   0.205   1.076
   98    HB2  ASP  14           HB2      ASP  14  -1.797   2.469   1.491
   99    HB3  ASP  14           HB3      ASP  14  -0.036   2.475   1.550
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   1.604   1.119   1.117
    2    HA2  GLY   1           HA2      GLY   1   1.883  -1.393   0.405
    3    HA3  GLY   1           HA3      GLY   1   1.426  -0.722  -1.153
    4    H    ARG   2           H        ARG   2   2.826   1.801  -0.693
    5    HA   ARG   2           HA       ARG   2   5.303   1.150  -1.830
    6    HB2  ARG   2           HB2      ARG   2   5.854   3.479  -1.618
    7    HB3  ARG   2           HB3      ARG   2   4.148   3.354  -2.029
    8    HG2  ARG   2           HG2      ARG   2   3.536   3.759   0.283
    9    HG3  ARG   2           HG3      ARG   2   5.240   3.821   0.738
   10    HD2  ARG   2           HD2      ARG   2   3.793   5.712  -1.113
   11    HD3  ARG   2           HD3      ARG   2   4.366   6.065   0.517
   12    HE   ARG   2           HE       ARG   2   5.909   6.078  -1.891
   13   HH11  ARG   2          HH11      ARG   2   6.045   5.574   1.551
   14   HH12  ARG   2          HH12      ARG   2   7.725   5.978   1.675
   15   HH21  ARG   2          HH21      ARG   2   8.122   6.612  -1.740
   16   HH22  ARG   2          HH22      ARG   2   8.905   6.569  -0.197
   17    H    CYS   3           H        CYS   3   7.394   1.125  -1.014
   18    HA   CYS   3           HA       CYS   3   7.597   0.904   1.918
   19    HB2  CYS   3           HB2      CYS   3   9.263  -0.571  -0.130
   20    HB3  CYS   3           HB3      CYS   3   9.323  -0.776   1.618
   21    H    THR   4           H        THR   4   9.969   1.153   2.643
   22    HA   THR   4           HA       THR   4  10.913   3.686   1.555
   23    HB   THR   4           HB       THR   4  12.494   3.588   3.551
   24    HG1  THR   4           HG1      THR   4  12.524   1.617   4.373
   25   HG21  THR   4          HG21      THR   4   9.585   3.459   4.318
   26   HG22  THR   4          HG22      THR   4  10.271   4.816   3.423
   27   HG23  THR   4          HG23      THR   4  10.864   4.435   5.040
   28    H    GLN   5           H        GLN   5  12.474   3.749   0.090
   29    HA   GLN   5           HA       GLN   5  13.925   1.504  -0.769
   30    HB2  GLN   5           HB2      GLN   5  15.183   3.037  -2.153
   31    HB3  GLN   5           HB3      GLN   5  13.488   3.506  -2.160
   32    HG2  GLN   5           HG2      GLN   5  14.008   5.226  -0.455
   33    HG3  GLN   5           HG3      GLN   5  15.713   4.804  -0.607
   34   HE21  GLN   5          HE21      GLN   5  13.509   6.991  -1.513
   35   HE22  GLN   5          HE22      GLN   5  14.180   7.509  -3.018
   36    H    ALA   6           H        ALA   6  14.681   4.044   1.537
   37    HA   ALA   6           HA       ALA   6  17.294   2.792   2.045
   38    HB1  ALA   6           HB1      ALA   6  18.065   4.828   2.890
   39    HB2  ALA   6           HB2      ALA   6  17.080   5.287   1.500
   40    HB3  ALA   6           HB3      ALA   6  16.432   5.452   3.132
   41    H    TRP   7           H        TRP   7  17.805   1.965   4.015
   42    HA   TRP   7           HA       TRP   7  15.851   0.960   5.683
   43    HB2  TRP   7           HB2      TRP   7  18.781   1.348   5.883
   44    HB3  TRP   7           HB3      TRP   7  17.929   1.085   7.402
   45    HD1  TRP   7           HD1      TRP   7  16.739  -0.678   4.232
   46    HE1  TRP   7           HE1      TRP   7  17.157  -3.205   4.485
   47    HE3  TRP   7           HE3      TRP   7  19.449  -0.623   8.566
   48    HZ2  TRP   7           HZ2      TRP   7  18.462  -4.945   6.284
   49    HZ3  TRP   7           HZ3      TRP   7  20.245  -2.761   9.487
   50    HH2  TRP   7           HH2      TRP   7  19.760  -4.876   8.368
   51    HA   PRO   8           HA       PRO   8  16.171   0.389   8.097
   52    HB2  PRO   8           HB2      PRO   8  13.976   0.320   9.692
   53    HB3  PRO   8           HB3      PRO   8  15.558   0.867  10.259
   54    HG2  PRO   8           HG2      PRO   8  13.200   2.484   9.372
   55    HG3  PRO   8           HG3      PRO   8  14.278   2.744  10.756
   56    HD2  PRO   8           HD2      PRO   8  14.522   4.126   8.440
   57    HD3  PRO   8           HD3      PRO   8  15.917   3.714   9.458
   58    HA   PRO   9           HA       PRO   9  13.248  -1.308   5.284
   59    HB2  PRO   9           HB2      PRO   9  12.699  -3.710   6.425
   60    HB3  PRO   9           HB3      PRO   9  14.243  -3.348   5.643
   61    HG2  PRO   9           HG2      PRO   9  13.543  -3.324   8.553
   62    HG3  PRO   9           HG3      PRO   9  14.994  -3.961   7.756
   63    HD2  PRO   9           HD2      PRO   9  14.953  -1.557   9.002
   64    HD3  PRO   9           HD3      PRO   9  15.964  -1.877   7.579
   65    H    ILE  10           H        ILE  10  11.668   0.398   5.960
   66    HA   ILE  10           HA       ILE  10   9.409  -0.790   7.435
   67    HB   ILE  10           HB       ILE  10  10.315   1.132   8.626
   68   HG12  ILE  10          HG12      ILE  10   7.810   2.210   7.405
   69   HG13  ILE  10          HG13      ILE  10   7.741   0.658   8.233
   70   HG21  ILE  10          HG21      ILE  10   9.615   2.840   6.253
   71   HG22  ILE  10          HG22      ILE  10  10.507   3.296   7.703
   72   HG23  ILE  10          HG23      ILE  10  11.237   2.205   6.526
   73   HD11  ILE  10          HD11      ILE  10   8.976   2.011  10.126
   74   HD12  ILE  10          HD12      ILE  10   8.197   3.375   9.323
   75   HD13  ILE  10          HD13      ILE  10   7.222   2.047   9.951
   76    H    CYS  11           H        CYS  11   7.613  -1.133   6.311
   77    HA   CYS  11           HA       CYS  11   7.221   0.363   3.802
   78    HB2  CYS  11           HB2      CYS  11   7.808  -2.111   3.582
   79    HB3  CYS  11           HB3      CYS  11   6.230  -2.443   4.290
   80    H    PHE  12           H        PHE  12   5.346   1.412   3.574
   81    HA   PHE  12           HA       PHE  12   3.521   1.553   5.759
   82    HB2  PHE  12           HB2      PHE  12   3.768   2.845   3.087
   83    HB3  PHE  12           HB3      PHE  12   2.189   2.879   3.866
   84    HD1  PHE  12           HD1      PHE  12   1.834   5.004   4.668
   85    HD2  PHE  12           HD2      PHE  12   5.639   3.184   5.242
   86    HE1  PHE  12           HE1      PHE  12   2.546   6.928   6.027
   87    HE2  PHE  12           HE2      PHE  12   6.356   5.105   6.602
   88    HZ   PHE  12           HZ       PHE  12   4.809   6.979   6.997
   89    HA   PRO  13           HA       PRO  13   0.459  -1.407   4.711
   90    HB2  PRO  13           HB2      PRO  13  -1.851  -0.098   5.279
   91    HB3  PRO  13           HB3      PRO  13  -0.741  -0.674   6.528
   92    HG2  PRO  13           HG2      PRO  13  -1.044   2.076   5.385
   93    HG3  PRO  13           HG3      PRO  13  -0.831   1.584   7.075
   94    HD2  PRO  13           HD2      PRO  13   1.207   2.531   5.566
   95    HD3  PRO  13           HD3      PRO  13   1.447   1.322   6.844
   96    H    ASP  14           H        ASP  14   0.022   1.803   3.315
   97    HA   ASP  14           HA       ASP  14  -1.946   1.184   1.423
   98    HB2  ASP  14           HB2      ASP  14  -1.297   3.212   0.294
   99    HB3  ASP  14           HB3      ASP  14  -1.189   3.487   2.030
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   1.513   1.535   1.332
    2    HA2  GLY   1           HA2      GLY   1   1.848  -0.846   0.261
    3    HA3  GLY   1           HA3      GLY   1   1.393   0.045  -1.183
    4    H    ARG   2           H        ARG   2   2.733   2.495  -0.347
    5    HA   ARG   2           HA       ARG   2   5.230   2.081  -1.534
    6    HB2  ARG   2           HB2      ARG   2   4.089   4.268  -1.433
    7    HB3  ARG   2           HB3      ARG   2   4.394   4.336   0.297
    8    HG2  ARG   2           HG2      ARG   2   6.724   4.549  -0.024
    9    HG3  ARG   2           HG3      ARG   2   6.598   4.124  -1.732
   10    HD2  ARG   2           HD2      ARG   2   5.426   6.596  -0.461
   11    HD3  ARG   2           HD3      ARG   2   6.935   6.541  -1.371
   12    HE   ARG   2           HE       ARG   2   4.257   6.507  -2.436
   13   HH11  ARG   2          HH11      ARG   2   7.604   5.749  -3.023
   14   HH12  ARG   2          HH12      ARG   2   7.450   5.808  -4.747
   15   HH21  ARG   2          HH21      ARG   2   4.042   6.588  -4.705
   16   HH22  ARG   2          HH22      ARG   2   5.424   6.287  -5.703
   17    H    CYS   3           H        CYS   3   7.281   1.810  -0.746
   18    HA   CYS   3           HA       CYS   3   7.491   1.205   2.132
   19    HB2  CYS   3           HB2      CYS   3   7.741  -0.728   0.489
   20    HB3  CYS   3           HB3      CYS   3   9.242   0.034  -0.028
   21    H    THR   4           H        THR   4   9.546   1.645   3.143
   22    HA   THR   4           HA       THR   4  10.591   4.192   2.397
   23    HB   THR   4           HB       THR   4  12.236   3.745   4.285
   24    HG1  THR   4           HG1      THR   4  12.342   1.674   4.755
   25   HG21  THR   4          HG21      THR   4  10.023   4.935   4.503
   26   HG22  THR   4          HG22      THR   4  10.621   4.184   5.983
   27   HG23  THR   4          HG23      THR   4   9.340   3.405   5.053
   28    H    GLN   5           H        GLN   5  12.184   4.622   1.027
   29    HA   GLN   5           HA       GLN   5  13.581   2.644  -0.391
   30    HB2  GLN   5           HB2      GLN   5  13.151   5.015  -1.132
   31    HB3  GLN   5           HB3      GLN   5  14.441   5.517  -0.048
   32    HG2  GLN   5           HG2      GLN   5  15.394   5.374  -2.193
   33    HG3  GLN   5           HG3      GLN   5  15.957   3.957  -1.308
   34   HE21  GLN   5          HE21      GLN   5  13.687   5.094  -3.729
   35   HE22  GLN   5          HE22      GLN   5  13.468   3.570  -4.512
   36    H    ALA   6           H        ALA   6  14.491   4.606   2.401
   37    HA   ALA   6           HA       ALA   6  17.094   3.285   2.532
   38    HB1  ALA   6           HB1      ALA   6  16.466   5.149   4.681
   39    HB2  ALA   6           HB2      ALA   6  17.836   5.118   3.569
   40    HB3  ALA   6           HB3      ALA   6  16.315   5.863   3.074
   41    H    TRP   7           H        TRP   7  17.601   3.241   5.205
   42    HA   TRP   7           HA       TRP   7  15.767   1.141   6.124
   43    HB2  TRP   7           HB2      TRP   7  18.675   1.641   6.437
   44    HB3  TRP   7           HB3      TRP   7  17.849   0.918   7.814
   45    HD1  TRP   7           HD1      TRP   7  16.775   0.031   4.256
   46    HE1  TRP   7           HE1      TRP   7  17.346  -2.440   3.814
   47    HE3  TRP   7           HE3      TRP   7  19.453  -0.955   8.498
   48    HZ2  TRP   7           HZ2      TRP   7  18.745  -4.530   5.094
   49    HZ3  TRP   7           HZ3      TRP   7  20.372  -3.216   8.813
   50    HH2  TRP   7           HH2      TRP   7  20.025  -4.965   7.145
   51    HA   PRO   8           HA       PRO   8  16.145  -0.012   8.307
   52    HB2  PRO   8           HB2      PRO   8  13.976  -0.608   9.827
   53    HB3  PRO   8           HB3      PRO   8  15.534  -0.141  10.518
   54    HG2  PRO   8           HG2      PRO   8  13.084   1.521  10.074
   55    HG3  PRO   8           HG3      PRO   8  14.164   1.472  11.480
   56    HD2  PRO   8           HD2      PRO   8  14.306   3.416   9.600
   57    HD3  PRO   8           HD3      PRO   8  15.734   2.831  10.479
   58    HA   PRO   9           HA       PRO   9  13.284  -1.070   5.138
   59    HB2  PRO   9           HB2      PRO   9  12.901  -3.718   5.599
   60    HB3  PRO   9           HB3      PRO   9  14.406  -3.065   4.940
   61    HG2  PRO   9           HG2      PRO   9  13.758  -3.860   7.752
   62    HG3  PRO   9           HG3      PRO   9  15.230  -4.170   6.813
   63    HD2  PRO   9           HD2      PRO   9  15.066  -2.191   8.655
   64    HD3  PRO   9           HD3      PRO   9  16.069  -2.058   7.196
   65    H    ILE  10           H        ILE  10  11.617   0.293   6.248
   66    HA   ILE  10           HA       ILE  10   9.459  -1.385   7.353
   67    HB   ILE  10           HB       ILE  10   8.605   0.696   8.436
   68   HG12  ILE  10          HG12      ILE  10  11.047   2.160   8.545
   69   HG13  ILE  10          HG13      ILE  10  10.664   1.877   6.850
   70   HG21  ILE  10          HG21      ILE  10   9.840   0.356  10.332
   71   HG22  ILE  10          HG22      ILE  10  10.274  -1.086   9.416
   72   HG23  ILE  10          HG23      ILE  10  11.370   0.295   9.457
   73   HD11  ILE  10          HD11      ILE  10   8.662   3.049   6.985
   74   HD12  ILE  10          HD12      ILE  10   8.611   2.945   8.745
   75   HD13  ILE  10          HD13      ILE  10   9.782   4.003   7.958
   76    H    CYS  11           H        CYS  11   7.803  -1.636   6.023
   77    HA   CYS  11           HA       CYS  11   7.335   0.378   3.936
   78    HB2  CYS  11           HB2      CYS  11   6.234  -2.433   4.085
   79    HB3  CYS  11           HB3      CYS  11   6.169  -1.341   2.706
   80    H    PHE  12           H        PHE  12   5.215   1.114   3.496
   81    HA   PHE  12           HA       PHE  12   3.559   1.277   5.880
   82    HB2  PHE  12           HB2      PHE  12   3.785   2.811   3.336
   83    HB3  PHE  12           HB3      PHE  12   2.232   2.825   4.164
   84    HD1  PHE  12           HD1      PHE  12   5.857   3.397   4.776
   85    HD2  PHE  12           HD2      PHE  12   1.852   4.353   5.854
   86    HE1  PHE  12           HE1      PHE  12   6.686   5.152   6.288
   87    HE2  PHE  12           HE2      PHE  12   2.675   6.110   7.366
   88    HZ   PHE  12           HZ       PHE  12   5.094   6.512   7.585
   89    HA   PRO  13           HA       PRO  13   0.376  -1.469   4.629
   90    HB2  PRO  13           HB2      PRO  13  -1.874  -0.152   5.385
   91    HB3  PRO  13           HB3      PRO  13  -0.755  -0.884   6.541
   92    HG2  PRO  13           HG2      PRO  13  -0.992   1.974   5.683
   93    HG3  PRO  13           HG3      PRO  13  -0.756   1.311   7.310
   94    HD2  PRO  13           HD2      PRO  13   1.278   2.339   5.847
   95    HD3  PRO  13           HD3      PRO  13   1.506   1.002   6.992
   96    H    ASP  14           H        ASP  14  -0.028   1.883   3.590
   97    HA   ASP  14           HA       ASP  14  -2.030   1.455   1.665
   98    HB2  ASP  14           HB2      ASP  14  -1.400   3.620   0.763
   99    HB3  ASP  14           HB3      ASP  14  -1.373   3.686   2.523
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   1.133   0.708   0.953
    2    HA2  GLY   1           HA2      GLY   1   1.447  -0.950  -1.320
    3    HA3  GLY   1           HA3      GLY   1   0.850   0.626  -1.817
    4    H    ARG   2           H        ARG   2   2.128   2.448  -0.463
    5    HA   ARG   2           HA       ARG   2   4.644   2.634  -1.579
    6    HB2  ARG   2           HB2      ARG   2   3.213   4.449  -0.453
    7    HB3  ARG   2           HB3      ARG   2   3.965   3.932   1.051
    8    HG2  ARG   2           HG2      ARG   2   6.131   4.541   0.266
    9    HG3  ARG   2           HG3      ARG   2   5.516   4.835  -1.362
   10    HD2  ARG   2           HD2      ARG   2   4.403   6.783  -0.719
   11    HD3  ARG   2           HD3      ARG   2   4.446   6.351   0.990
   12    HE   ARG   2           HE       ARG   2   6.426   7.790  -0.449
   13   HH11  ARG   2          HH11      ARG   2   6.000   5.467   2.110
   14   HH12  ARG   2          HH12      ARG   2   7.464   5.905   2.927
   15   HH21  ARG   2          HH21      ARG   2   8.355   8.375   0.619
   16   HH22  ARG   2          HH22      ARG   2   8.802   7.560   2.079
   17    H    CYS   3           H        CYS   3   6.770   2.559  -0.648
   18    HA   CYS   3           HA       CYS   3   7.161   1.148   1.842
   19    HB2  CYS   3           HB2      CYS   3   7.486  -0.170  -0.802
   20    HB3  CYS   3           HB3      CYS   3   8.734  -0.478   0.402
   21    H    THR   4           H        THR   4   9.490   0.921   2.365
   22    HA   THR   4           HA       THR   4  10.975   3.204   1.267
   23    HB   THR   4           HB       THR   4  12.380   3.014   3.313
   24    HG1  THR   4           HG1      THR   4  11.481   0.661   3.534
   25   HG21  THR   4          HG21      THR   4  10.974   4.554   4.095
   26   HG22  THR   4          HG22      THR   4   9.952   3.270   4.741
   27   HG23  THR   4          HG23      THR   4   9.668   3.890   3.115
   28    H    GLN   5           H        GLN   5  13.014   2.997   0.437
   29    HA   GLN   5           HA       GLN   5  13.795   0.325  -0.372
   30    HB2  GLN   5           HB2      GLN   5  15.492   1.488  -1.738
   31    HB3  GLN   5           HB3      GLN   5  13.865   2.085  -2.039
   32    HG2  GLN   5           HG2      GLN   5  14.296   4.026  -0.648
   33    HG3  GLN   5           HG3      GLN   5  15.910   3.420  -0.279
   34   HE21  GLN   5          HE21      GLN   5  17.007   2.701  -2.524
   35   HE22  GLN   5          HE22      GLN   5  17.046   3.979  -3.686
   36    H    ALA   6           H        ALA   6  14.957   2.901   1.716
   37    HA   ALA   6           HA       ALA   6  17.374   1.412   2.371
   38    HB1  ALA   6           HB1      ALA   6  16.491   4.003   3.611
   39    HB2  ALA   6           HB2      ALA   6  18.121   3.341   3.494
   40    HB3  ALA   6           HB3      ALA   6  17.303   3.930   2.047
   41    H    TRP   7           H        TRP   7  17.807   1.886   4.972
   42    HA   TRP   7           HA       TRP   7  15.661   0.361   6.279
   43    HB2  TRP   7           HB2      TRP   7  17.531  -0.079   8.004
   44    HB3  TRP   7           HB3      TRP   7  17.632  -0.894   6.445
   45    HD1  TRP   7           HD1      TRP   7  18.965   2.473   7.880
   46    HE1  TRP   7           HE1      TRP   7  21.390   2.763   7.068
   47    HE3  TRP   7           HE3      TRP   7  19.407  -1.797   5.104
   48    HZ2  TRP   7           HZ2      TRP   7  23.245   1.366   5.462
   49    HZ3  TRP   7           HZ3      TRP   7  21.539  -2.246   3.961
   50    HH2  TRP   7           HH2      TRP   7  23.417  -0.695   4.137
   51    HA   PRO   8           HA       PRO   8  15.731  -0.331   8.624
   52    HB2  PRO   8           HB2      PRO   8  13.463  -0.123  10.102
   53    HB3  PRO   8           HB3      PRO   8  15.077   0.136  10.776
   54    HG2  PRO   8           HG2      PRO   8  13.059   2.151   9.864
   55    HG3  PRO   8           HG3      PRO   8  14.082   2.168  11.313
   56    HD2  PRO   8           HD2      PRO   8  14.675   3.601   9.093
   57    HD3  PRO   8           HD3      PRO   8  15.927   2.923  10.154
   58    HA   PRO   9           HA       PRO   9  12.708  -1.447   5.632
   59    HB2  PRO   9           HB2      PRO   9  11.602  -3.683   6.702
   60    HB3  PRO   9           HB3      PRO   9  13.240  -3.645   6.040
   61    HG2  PRO   9           HG2      PRO   9  12.345  -3.468   8.891
   62    HG3  PRO   9           HG3      PRO   9  13.692  -4.389   8.197
   63    HD2  PRO   9           HD2      PRO   9  14.044  -2.021   9.464
   64    HD3  PRO   9           HD3      PRO   9  15.074  -2.546   8.116
   65    H    ILE  10           H        ILE  10  11.390   0.472   6.037
   66    HA   ILE  10           HA       ILE  10   8.966  -0.067   7.613
   67    HB   ILE  10           HB       ILE  10  10.035   2.576   6.615
   68   HG12  ILE  10          HG12      ILE  10  11.396   1.642   8.421
   69   HG13  ILE  10          HG13      ILE  10  10.481   3.032   8.995
   70   HG21  ILE  10          HG21      ILE  10   7.530   1.791   8.032
   71   HG22  ILE  10          HG22      ILE  10   8.257   3.362   8.360
   72   HG23  ILE  10          HG23      ILE  10   7.765   2.944   6.719
   73   HD11  ILE  10          HD11      ILE  10   8.862   1.536  10.034
   74   HD12  ILE  10          HD12      ILE  10   9.780   0.144   9.459
   75   HD13  ILE  10          HD13      ILE  10  10.494   1.248  10.635
   76    H    CYS  11           H        CYS  11   7.401  -0.898   6.392
   77    HA   CYS  11           HA       CYS  11   7.002   0.197   3.686
   78    HB2  CYS  11           HB2      CYS  11   6.820  -2.533   4.798
   79    HB3  CYS  11           HB3      CYS  11   5.530  -2.087   3.687
   80    H    PHE  12           H        PHE  12   5.152   1.217   3.233
   81    HA   PHE  12           HA       PHE  12   3.311   1.832   5.310
   82    HB2  PHE  12           HB2      PHE  12   3.641   2.543   2.452
   83    HB3  PHE  12           HB3      PHE  12   2.013   2.683   3.106
   84    HD1  PHE  12           HD1      PHE  12   5.518   3.611   3.980
   85    HD2  PHE  12           HD2      PHE  12   1.398   4.678   4.057
   86    HE1  PHE  12           HE1      PHE  12   6.104   5.791   4.959
   87    HE2  PHE  12           HE2      PHE  12   1.978   6.860   5.035
   88    HZ   PHE  12           HZ       PHE  12   4.334   7.419   5.487
   89    HA   PRO  13           HA       PRO  13   0.222  -1.256   4.917
   90    HB2  PRO  13           HB2      PRO  13  -2.073   0.167   5.194
   91    HB3  PRO  13           HB3      PRO  13  -0.967  -0.142   6.537
   92    HG2  PRO  13           HG2      PRO  13  -1.244   2.306   4.836
   93    HG3  PRO  13           HG3      PRO  13  -1.032   2.182   6.592
   94    HD2  PRO  13           HD2      PRO  13   1.013   2.765   4.916
   95    HD3  PRO  13           HD3      PRO  13   1.243   1.853   6.421
   96    H    ASP  14           H        ASP  14  -0.619   1.662   3.049
   97    HA   ASP  14           HA       ASP  14  -2.422   0.550   1.277
   98    HB2  ASP  14           HB2      ASP  14  -1.473   2.348  -0.344
   99    HB3  ASP  14           HB3      ASP  14  -2.245   2.869   1.151
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   1.604   0.485   1.397
    2    HA2  GLY   1           HA2      GLY   1   2.149  -1.472  -0.272
    3    HA3  GLY   1           HA3      GLY   1   1.538  -0.295  -1.425
    4    H    ARG   2           H        ARG   2   2.616   2.025  -0.155
    5    HA   ARG   2           HA       ARG   2   5.068   2.251  -1.401
    6    HB2  ARG   2           HB2      ARG   2   3.485   4.026  -0.252
    7    HB3  ARG   2           HB3      ARG   2   4.583   3.805   1.104
    8    HG2  ARG   2           HG2      ARG   2   6.459   4.485  -0.242
    9    HG3  ARG   2           HG3      ARG   2   5.437   4.576  -1.678
   10    HD2  ARG   2           HD2      ARG   2   4.048   6.239  -0.206
   11    HD3  ARG   2           HD3      ARG   2   5.559   6.388   0.690
   12    HE   ARG   2           HE       ARG   2   6.166   6.710  -2.001
   13   HH11  ARG   2          HH11      ARG   2   4.286   8.320   0.448
   14   HH12  ARG   2          HH12      ARG   2   4.480   9.892  -0.252
   15   HH21  ARG   2          HH21      ARG   2   6.429   8.775  -2.932
   16   HH22  ARG   2          HH22      ARG   2   5.699  10.150  -2.176
   17    H    CYS   3           H        CYS   3   7.228   2.459  -0.531
   18    HA   CYS   3           HA       CYS   3   7.734   1.127   2.016
   19    HB2  CYS   3           HB2      CYS   3   8.614   0.117  -0.672
   20    HB3  CYS   3           HB3      CYS   3   9.596  -0.193   0.756
   21    H    THR   4           H        THR   4  10.189   1.142   2.457
   22    HA   THR   4           HA       THR   4  11.206   3.792   1.677
   23    HB   THR   4           HB       THR   4  12.641   3.595   3.735
   24    HG1  THR   4           HG1      THR   4  12.174   1.182   3.782
   25   HG21  THR   4          HG21      THR   4   9.714   3.382   4.403
   26   HG22  THR   4          HG22      THR   4  10.397   4.791   3.591
   27   HG23  THR   4          HG23      THR   4  10.953   4.347   5.204
   28    H    GLN   5           H        GLN   5  12.729   3.718   0.168
   29    HA   GLN   5           HA       GLN   5  14.117   1.449  -0.655
   30    HB2  GLN   5           HB2      GLN   5  14.661   4.388  -0.997
   31    HB3  GLN   5           HB3      GLN   5  15.730   3.171  -1.680
   32    HG2  GLN   5           HG2      GLN   5  13.694   2.216  -2.831
   33    HG3  GLN   5           HG3      GLN   5  12.846   3.680  -2.336
   34   HE21  GLN   5          HE21      GLN   5  13.352   5.627  -3.298
   35   HE22  GLN   5          HE22      GLN   5  14.309   5.738  -4.732
   36    H    ALA   6           H        ALA   6  14.937   3.880   1.746
   37    HA   ALA   6           HA       ALA   6  17.530   2.624   2.231
   38    HB1  ALA   6           HB1      ALA   6  18.050   4.515   3.587
   39    HB2  ALA   6           HB2      ALA   6  17.295   5.113   2.109
   40    HB3  ALA   6           HB3      ALA   6  16.366   5.038   3.606
   41    H    TRP   7           H        TRP   7  17.915   2.991   4.885
   42    HA   TRP   7           HA       TRP   7  15.992   1.102   6.056
   43    HB2  TRP   7           HB2      TRP   7  18.911   1.497   6.317
   44    HB3  TRP   7           HB3      TRP   7  18.060   1.095   7.806
   45    HD1  TRP   7           HD1      TRP   7  16.889  -0.393   4.490
   46    HE1  TRP   7           HE1      TRP   7  17.326  -2.929   4.521
   47    HE3  TRP   7           HE3      TRP   7  19.589  -0.697   8.820
   48    HZ2  TRP   7           HZ2      TRP   7  18.641  -4.810   6.165
   49    HZ3  TRP   7           HZ3      TRP   7  20.400  -2.902   9.552
   50    HH2  TRP   7           HH2      TRP   7  19.934  -4.914   8.251
   51    HA   PRO   8           HA       PRO   8  16.295   0.281   8.400
   52    HB2  PRO   8           HB2      PRO   8  14.083   0.005   9.949
   53    HB3  PRO   8           HB3      PRO   8  15.649   0.515  10.592
   54    HG2  PRO   8           HG2      PRO   8  13.273   2.178   9.851
   55    HG3  PRO   8           HG3      PRO   8  14.330   2.306  11.270
   56    HD2  PRO   8           HD2      PRO   8  14.576   3.932   9.118
   57    HD3  PRO   8           HD3      PRO   8  15.966   3.436  10.105
   58    HA   PRO   9           HA       PRO   9  13.422  -1.181   5.408
   59    HB2  PRO   9           HB2      PRO   9  12.839  -3.666   6.331
   60    HB3  PRO   9           HB3      PRO   9  14.402  -3.248   5.619
   61    HG2  PRO   9           HG2      PRO   9  13.632  -3.465   8.503
   62    HG3  PRO   9           HG3      PRO   9  15.099  -4.040   7.691
   63    HD2  PRO   9           HD2      PRO   9  15.035  -1.749   9.133
   64    HD3  PRO   9           HD3      PRO   9  16.080  -1.955   7.712
   65    H    ILE  10           H        ILE  10  11.784   0.415   6.051
   66    HA   ILE  10           HA       ILE  10   9.527  -0.830   7.482
   67    HB   ILE  10           HB       ILE  10  10.399   1.111   8.688
   68   HG12  ILE  10          HG12      ILE  10   8.276   2.441   8.763
   69   HG13  ILE  10          HG13      ILE  10   7.719   1.544   7.354
   70   HG21  ILE  10          HG21      ILE  10   9.602   2.835   6.363
   71   HG22  ILE  10          HG22      ILE  10  10.550   3.270   7.784
   72   HG23  ILE  10          HG23      ILE  10  11.243   2.217   6.551
   73   HD11  ILE  10          HD11      ILE  10   7.692   0.809  10.143
   74   HD12  ILE  10          HD12      ILE  10   6.836   0.095   8.776
   75   HD13  ILE  10          HD13      ILE  10   8.482  -0.417   9.152
   76    H    CYS  11           H        CYS  11   7.705  -1.130   6.375
   77    HA   CYS  11           HA       CYS  11   7.335   0.357   3.858
   78    HB2  CYS  11           HB2      CYS  11   6.952  -2.567   4.444
   79    HB3  CYS  11           HB3      CYS  11   6.060  -1.786   3.142
   80    H    PHE  12           H        PHE  12   5.443   1.373   3.620
   81    HA   PHE  12           HA       PHE  12   3.609   1.517   5.778
   82    HB2  PHE  12           HB2      PHE  12   3.767   2.678   3.034
   83    HB3  PHE  12           HB3      PHE  12   2.217   2.725   3.868
   84    HD1  PHE  12           HD1      PHE  12   5.805   3.584   4.354
   85    HD2  PHE  12           HD2      PHE  12   1.752   4.461   5.316
   86    HE1  PHE  12           HE1      PHE  12   6.534   5.586   5.584
   87    HE2  PHE  12           HE2      PHE  12   2.475   6.465   6.547
   88    HZ   PHE  12           HZ       PHE  12   4.868   7.030   6.682
   89    HA   PRO  13           HA       PRO  13   0.651  -1.598   4.891
   90    HB2  PRO  13           HB2      PRO  13  -1.697  -0.354   5.445
   91    HB3  PRO  13           HB3      PRO  13  -0.549  -0.841   6.697
   92    HG2  PRO  13           HG2      PRO  13  -0.969   1.851   5.457
   93    HG3  PRO  13           HG3      PRO  13  -0.715   1.432   7.161
   94    HD2  PRO  13           HD2      PRO  13   1.266   2.394   5.586
   95    HD3  PRO  13           HD3      PRO  13   1.568   1.244   6.904
   96    H    ASP  14           H        ASP  14   0.068   1.540   3.386
   97    HA   ASP  14           HA       ASP  14  -1.902   0.790   1.553
   98    HB2  ASP  14           HB2      ASP  14  -1.394   2.798   0.377
   99    HB3  ASP  14           HB3      ASP  14  -1.114   3.137   2.083
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   1.718   0.371   0.858
    2    HA2  GLY   1           HA2      GLY   1   1.720  -0.260  -1.787
    3    HA3  GLY   1           HA3      GLY   1   1.313   1.450  -1.783
    4    H    ARG   2           H        ARG   2   2.846   2.962  -0.986
    5    HA   ARG   2           HA       ARG   2   5.450   2.581  -1.809
    6    HB2  ARG   2           HB2      ARG   2   4.175   4.747  -1.132
    7    HB3  ARG   2           HB3      ARG   2   4.832   4.433   0.469
    8    HG2  ARG   2           HG2      ARG   2   7.055   4.661  -0.292
    9    HG3  ARG   2           HG3      ARG   2   6.555   4.615  -1.984
   10    HD2  ARG   2           HD2      ARG   2   7.056   6.885  -1.408
   11    HD3  ARG   2           HD3      ARG   2   5.311   6.735  -1.609
   12    HE   ARG   2           HE       ARG   2   6.153   6.404   1.108
   13   HH11  ARG   2          HH11      ARG   2   5.356   8.736  -1.350
   14   HH12  ARG   2          HH12      ARG   2   4.911   9.970  -0.219
   15   HH21  ARG   2          HH21      ARG   2   5.570   8.020   2.608
   16   HH22  ARG   2          HH22      ARG   2   5.034   9.563   2.032
   17    H    CYS   3           H        CYS   3   7.450   2.485  -0.574
   18    HA   CYS   3           HA       CYS   3   7.338   1.435   2.119
   19    HB2  CYS   3           HB2      CYS   3   6.984  -0.619   0.927
   20    HB3  CYS   3           HB3      CYS   3   8.283  -0.250  -0.204
   21    H    THR   4           H        THR   4   9.215   1.749   3.239
   22    HA   THR   4           HA       THR   4  11.035   3.665   2.309
   23    HB   THR   4           HB       THR   4  12.250   3.357   4.328
   24    HG1  THR   4           HG1      THR   4  11.260   0.749   4.138
   25   HG21  THR   4          HG21      THR   4   9.908   4.220   4.543
   26   HG22  THR   4          HG22      THR   4  10.543   3.471   6.009
   27   HG23  THR   4          HG23      THR   4   9.408   2.589   4.988
   28    H    GLN   5           H        GLN   5  12.570   3.447   0.830
   29    HA   GLN   5           HA       GLN   5  13.472   0.932  -0.120
   30    HB2  GLN   5           HB2      GLN   5  14.262   3.779  -0.615
   31    HB3  GLN   5           HB3      GLN   5  15.266   2.475  -1.235
   32    HG2  GLN   5           HG2      GLN   5  12.326   2.562  -1.787
   33    HG3  GLN   5           HG3      GLN   5  13.471   3.480  -2.763
   34   HE21  GLN   5          HE21      GLN   5  14.578   2.467  -4.322
   35   HE22  GLN   5          HE22      GLN   5  14.515   0.770  -4.635
   36    H    ALA   6           H        ALA   6  14.813   3.317   2.099
   37    HA   ALA   6           HA       ALA   6  17.145   1.588   2.545
   38    HB1  ALA   6           HB1      ALA   6  16.660   4.457   3.334
   39    HB2  ALA   6           HB2      ALA   6  18.118   3.537   3.704
   40    HB3  ALA   6           HB3      ALA   6  17.696   3.882   2.027
   41    H    TRP   7           H        TRP   7  17.729   0.918   4.624
   42    HA   TRP   7           HA       TRP   7  15.728   0.028   6.296
   43    HB2  TRP   7           HB2      TRP   7  17.606  -0.080   8.057
   44    HB3  TRP   7           HB3      TRP   7  17.827  -0.988   6.564
   45    HD1  TRP   7           HD1      TRP   7  18.820   2.525   7.909
   46    HE1  TRP   7           HE1      TRP   7  21.187   3.054   7.048
   47    HE3  TRP   7           HE3      TRP   7  19.622  -1.677   5.110
   48    HZ2  TRP   7           HZ2      TRP   7  23.136   1.850   5.399
   49    HZ3  TRP   7           HZ3      TRP   7  21.764  -1.911   3.921
   50    HH2  TRP   7           HH2      TRP   7  23.483  -0.183   4.064
   51    HA   PRO   8           HA       PRO   8  15.822  -0.459   8.684
   52    HB2  PRO   8           HB2      PRO   8  13.519  -0.364  10.117
   53    HB3  PRO   8           HB3      PRO   8  15.086   0.110  10.784
   54    HG2  PRO   8           HG2      PRO   8  12.893   1.830   9.691
   55    HG3  PRO   8           HG3      PRO   8  13.882   2.068  11.143
   56    HD2  PRO   8           HD2      PRO   8  14.369   3.370   8.820
   57    HD3  PRO   8           HD3      PRO   8  15.662   2.910   9.946
   58    HA   PRO   9           HA       PRO   9  12.989  -2.103   5.750
   59    HB2  PRO   9           HB2      PRO   9  12.124  -4.369   6.971
   60    HB3  PRO   9           HB3      PRO   9  13.756  -4.194   6.317
   61    HG2  PRO   9           HG2      PRO   9  12.808  -3.920   9.143
   62    HG3  PRO   9           HG3      PRO   9  14.259  -4.730   8.523
   63    HD2  PRO   9           HD2      PRO   9  14.329  -2.256   9.621
   64    HD3  PRO   9           HD3      PRO   9  15.429  -2.755   8.319
   65    H    ILE  10           H        ILE  10  11.525  -0.219   6.192
   66    HA   ILE  10           HA       ILE  10   9.042  -1.113   7.505
   67    HB   ILE  10           HB       ILE  10  10.043   1.716   7.161
   68   HG12  ILE  10          HG12      ILE  10   9.730  -0.006   9.630
   69   HG13  ILE  10          HG13      ILE  10  11.253   0.489   8.900
   70   HG21  ILE  10          HG21      ILE  10   7.540   0.679   8.485
   71   HG22  ILE  10          HG22      ILE  10   8.090   2.354   8.497
   72   HG23  ILE  10          HG23      ILE  10   7.621   1.591   6.978
   73   HD11  ILE  10          HD11      ILE  10   9.214   2.314  10.150
   74   HD12  ILE  10          HD12      ILE  10  10.753   1.821  10.857
   75   HD13  ILE  10          HD13      ILE  10  10.730   2.820   9.404
   76    H    CYS  11           H        CYS  11   7.114  -0.861   6.438
   77    HA   CYS  11           HA       CYS  11   7.125   0.404   3.801
   78    HB2  CYS  11           HB2      CYS  11   6.175  -2.427   4.295
   79    HB3  CYS  11           HB3      CYS  11   5.994  -1.538   2.786
   80    H    PHE  12           H        PHE  12   5.269   1.443   3.327
   81    HA   PHE  12           HA       PHE  12   3.364   1.902   5.352
   82    HB2  PHE  12           HB2      PHE  12   3.649   2.670   2.487
   83    HB3  PHE  12           HB3      PHE  12   2.063   2.853   3.230
   84    HD1  PHE  12           HD1      PHE  12   1.575   4.883   4.169
   85    HD2  PHE  12           HD2      PHE  12   5.635   3.613   4.005
   86    HE1  PHE  12           HE1      PHE  12   2.282   7.026   5.150
   87    HE2  PHE  12           HE2      PHE  12   6.347   5.754   4.987
   88    HZ   PHE  12           HZ       PHE  12   4.670   7.463   5.562
   89    HA   PRO  13           HA       PRO  13   0.323  -1.214   4.825
   90    HB2  PRO  13           HB2      PRO  13  -1.995   0.167   5.119
   91    HB3  PRO  13           HB3      PRO  13  -0.900  -0.169   6.465
   92    HG2  PRO  13           HG2      PRO  13  -1.193   2.327   4.838
   93    HG3  PRO  13           HG3      PRO  13  -1.000   2.151   6.592
   94    HD2  PRO  13           HD2      PRO  13   1.056   2.816   4.959
   95    HD3  PRO  13           HD3      PRO  13   1.282   1.860   6.438
   96    H    ASP  14           H        ASP  14  -0.101   1.687   2.864
   97    HA   ASP  14           HA       ASP  14  -1.997   0.584   1.065
   98    HB2  ASP  14           HB2      ASP  14  -1.208   2.503  -0.430
   99    HB3  ASP  14           HB3      ASP  14  -1.889   2.942   1.134
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   1.427   0.524   1.069
    2    HA2  GLY   1           HA2      GLY   1   1.518  -0.761  -1.313
    3    HA3  GLY   1           HA3      GLY   1   0.988   0.852  -1.767
    4    H    ARG   2           H        ARG   2   2.382   2.641  -0.684
    5    HA   ARG   2           HA       ARG   2   4.927   2.547  -1.762
    6    HB2  ARG   2           HB2      ARG   2   3.762   4.624  -1.111
    7    HB3  ARG   2           HB3      ARG   2   4.008   4.220   0.583
    8    HG2  ARG   2           HG2      ARG   2   6.195   4.805   0.551
    9    HG3  ARG   2           HG3      ARG   2   6.415   4.320  -1.132
   10    HD2  ARG   2           HD2      ARG   2   6.587   6.765  -0.790
   11    HD3  ARG   2           HD3      ARG   2   5.297   6.308  -1.901
   12    HE   ARG   2           HE       ARG   2   4.117   6.490   0.578
   13   HH11  ARG   2          HH11      ARG   2   5.880   8.614  -1.544
   14   HH12  ARG   2          HH12      ARG   2   5.068  10.045  -1.000
   15   HH21  ARG   2          HH21      ARG   2   3.042   8.367   1.303
   16   HH22  ARG   2          HH22      ARG   2   3.455   9.903   0.621
   17    H    CYS   3           H        CYS   3   7.023   2.455  -0.786
   18    HA   CYS   3           HA       CYS   3   7.224   1.269   1.864
   19    HB2  CYS   3           HB2      CYS   3   7.923  -0.146  -0.683
   20    HB3  CYS   3           HB3      CYS   3   8.866  -0.460   0.770
   21    H    THR   4           H        THR   4   9.575   0.985   2.487
   22    HA   THR   4           HA       THR   4  11.059   3.327   1.533
   23    HB   THR   4           HB       THR   4  12.382   3.134   3.587
   24    HG1  THR   4           HG1      THR   4  12.283   0.890   3.911
   25   HG21  THR   4          HG21      THR   4   9.387   3.120   3.915
   26   HG22  THR   4          HG22      THR   4  10.463   4.513   3.800
   27   HG23  THR   4          HG23      THR   4  10.493   3.492   5.237
   28    H    GLN   5           H        GLN   5  13.112   3.200   0.726
   29    HA   GLN   5           HA       GLN   5  13.981   0.555  -0.132
   30    HB2  GLN   5           HB2      GLN   5  15.057   3.289  -0.846
   31    HB3  GLN   5           HB3      GLN   5  15.545   1.769  -1.584
   32    HG2  GLN   5           HG2      GLN   5  14.054   2.621  -3.118
   33    HG3  GLN   5           HG3      GLN   5  13.048   1.520  -2.178
   34   HE21  GLN   5          HE21      GLN   5  14.005   4.904  -2.466
   35   HE22  GLN   5          HE22      GLN   5  12.514   5.561  -1.893
   36    H    ALA   6           H        ALA   6  15.057   3.233   1.876
   37    HA   ALA   6           HA       ALA   6  17.570   1.896   2.486
   38    HB1  ALA   6           HB1      ALA   6  18.343   3.913   3.060
   39    HB2  ALA   6           HB2      ALA   6  16.878   4.540   2.303
   40    HB3  ALA   6           HB3      ALA   6  16.926   4.276   4.046
   41    H    TRP   7           H        TRP   7  17.888   0.642   4.207
   42    HA   TRP   7           HA       TRP   7  15.876  -0.307   5.837
   43    HB2  TRP   7           HB2      TRP   7  17.753  -1.034   7.376
   44    HB3  TRP   7           HB3      TRP   7  17.907  -1.540   5.696
   45    HD1  TRP   7           HD1      TRP   7  19.886  -0.473   4.264
   46    HE1  TRP   7           HE1      TRP   7  22.024   0.789   4.941
   47    HE3  TRP   7           HE3      TRP   7  18.679   0.627   9.109
   48    HZ2  TRP   7           HZ2      TRP   7  23.063   2.079   7.227
   49    HZ3  TRP   7           HZ3      TRP   7  20.301   1.878  10.473
   50    HH2  TRP   7           HH2      TRP   7  22.447   2.587   9.550
   51    HA   PRO   8           HA       PRO   8  15.992  -1.224   8.078
   52    HB2  PRO   8           HB2      PRO   8  13.780  -1.105   9.648
   53    HB3  PRO   8           HB3      PRO   8  15.422  -0.963  10.288
   54    HG2  PRO   8           HG2      PRO   8  13.442   1.192   9.660
   55    HG3  PRO   8           HG3      PRO   8  14.511   1.030  11.065
   56    HD2  PRO   8           HD2      PRO   8  15.078   2.667   8.985
   57    HD3  PRO   8           HD3      PRO   8  16.340   1.847   9.927
   58    HA   PRO   9           HA       PRO   9  12.845  -1.930   5.089
   59    HB2  PRO   9           HB2      PRO   9  11.716  -4.245   5.949
   60    HB3  PRO   9           HB3      PRO   9  13.332  -4.171   5.236
   61    HG2  PRO   9           HG2      PRO   9  12.538  -4.288   8.120
   62    HG3  PRO   9           HG3      PRO   9  13.836  -5.157   7.281
   63    HD2  PRO   9           HD2      PRO   9  14.294  -2.952   8.784
   64    HD3  PRO   9           HD3      PRO   9  15.263  -3.348   7.350
   65    H    ILE  10           H        ILE  10  11.652   0.004   5.881
   66    HA   ILE  10           HA       ILE  10   9.260  -0.654   7.448
   67    HB   ILE  10           HB       ILE  10  10.281   2.068   6.630
   68   HG12  ILE  10          HG12      ILE  10  11.847   0.999   8.159
   69   HG13  ILE  10          HG13      ILE  10  10.975   2.278   8.997
   70   HG21  ILE  10          HG21      ILE  10   8.667   2.352   8.842
   71   HG22  ILE  10          HG22      ILE  10   8.211   2.697   7.175
   72   HG23  ILE  10          HG23      ILE  10   7.832   1.129   7.886
   73   HD11  ILE  10          HD11      ILE  10  10.752  -0.679   9.309
   74   HD12  ILE  10          HD12      ILE  10  10.967   0.570  10.537
   75   HD13  ILE  10          HD13      ILE  10   9.402   0.367   9.750
   76    H    CYS  11           H        CYS  11   7.617  -1.329   6.233
   77    HA   CYS  11           HA       CYS  11   7.154  -0.030   3.634
   78    HB2  CYS  11           HB2      CYS  11   6.777  -2.790   4.634
   79    HB3  CYS  11           HB3      CYS  11   5.513  -2.180   3.570
   80    H    PHE  12           H        PHE  12   5.368   1.145   3.314
   81    HA   PHE  12           HA       PHE  12   3.645   1.722   5.525
   82    HB2  PHE  12           HB2      PHE  12   3.982   2.724   2.747
   83    HB3  PHE  12           HB3      PHE  12   2.412   2.974   3.503
   84    HD1  PHE  12           HD1      PHE  12   5.948   3.175   4.687
   85    HD2  PHE  12           HD2      PHE  12   2.177   5.108   4.292
   86    HE1  PHE  12           HE1      PHE  12   6.837   5.142   5.867
   87    HE2  PHE  12           HE2      PHE  12   3.059   7.079   5.471
   88    HZ   PHE  12           HZ       PHE  12   5.392   7.098   6.260
   89    HA   PRO  13           HA       PRO  13   0.275  -0.995   4.825
   90    HB2  PRO  13           HB2      PRO  13  -1.873   0.591   5.318
   91    HB3  PRO  13           HB3      PRO  13  -0.789   0.018   6.591
   92    HG2  PRO  13           HG2      PRO  13  -0.847   2.670   5.204
   93    HG3  PRO  13           HG3      PRO  13  -0.633   2.314   6.928
   94    HD2  PRO  13           HD2      PRO  13   1.443   2.905   5.294
   95    HD3  PRO  13           HD3      PRO  13   1.599   1.798   6.673
   96    H    ASP  14           H        ASP  14   0.101   2.110   3.156
   97    HA   ASP  14           HA       ASP  14  -1.979   1.647   1.399
   98    HB2  ASP  14           HB2      ASP  14  -1.082   3.817   1.386
   99    HB3  ASP  14           HB3      ASP  14   0.562   3.233   1.141
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   1.340   0.665   0.717
    2    HA2  GLY   1           HA2      GLY   1   1.548   0.039  -1.873
    3    HA3  GLY   1           HA3      GLY   1   1.080   1.730  -1.977
    4    H    ARG   2           H        ARG   2   2.447   3.140  -0.353
    5    HA   ARG   2           HA       ARG   2   5.024   3.293  -1.324
    6    HB2  ARG   2           HB2      ARG   2   3.870   5.114  -0.116
    7    HB3  ARG   2           HB3      ARG   2   4.061   4.221   1.387
    8    HG2  ARG   2           HG2      ARG   2   6.438   4.451   1.303
    9    HG3  ARG   2           HG3      ARG   2   6.361   5.144  -0.318
   10    HD2  ARG   2           HD2      ARG   2   5.147   6.383   2.149
   11    HD3  ARG   2           HD3      ARG   2   6.706   6.835   1.459
   12    HE   ARG   2           HE       ARG   2   4.962   7.117  -0.610
   13   HH11  ARG   2          HH11      ARG   2   5.106   8.351   2.642
   14   HH12  ARG   2          HH12      ARG   2   4.284   9.827   2.257
   15   HH21  ARG   2          HH21      ARG   2   3.879   9.056  -1.129
   16   HH22  ARG   2          HH22      ARG   2   3.586  10.226   0.112
   17    H    CYS   3           H        CYS   3   7.085   2.867  -0.360
   18    HA   CYS   3           HA       CYS   3   7.299   1.130   1.914
   19    HB2  CYS   3           HB2      CYS   3   6.640  -0.301  -0.184
   20    HB3  CYS   3           HB3      CYS   3   8.331  -0.083  -0.624
   21    H    THR   4           H        THR   4   9.294   1.233   2.811
   22    HA   THR   4           HA       THR   4  11.154   3.129   1.693
   23    HB   THR   4           HB       THR   4  12.378   2.944   3.741
   24    HG1  THR   4           HG1      THR   4  12.496   1.043   4.646
   25   HG21  THR   4          HG21      THR   4  10.700   3.493   5.375
   26   HG22  THR   4          HG22      THR   4   9.457   2.656   4.445
   27   HG23  THR   4          HG23      THR   4  10.186   4.133   3.815
   28    H    GLN   5           H        GLN   5  12.678   2.605   0.281
   29    HA   GLN   5           HA       GLN   5  13.384  -0.110  -0.265
   30    HB2  GLN   5           HB2      GLN   5  14.996   0.893  -1.871
   31    HB3  GLN   5           HB3      GLN   5  13.349   1.473  -2.080
   32    HG2  GLN   5           HG2      GLN   5  13.895   3.531  -0.928
   33    HG3  GLN   5           HG3      GLN   5  15.531   2.948  -0.624
   34   HE21  GLN   5          HE21      GLN   5  17.022   3.602  -1.988
   35   HE22  GLN   5          HE22      GLN   5  16.758   4.147  -3.606
   36    H    ALA   6           H        ALA   6  14.888   2.569   1.449
   37    HA   ALA   6           HA       ALA   6  17.252   0.946   2.021
   38    HB1  ALA   6           HB1      ALA   6  16.877   3.671   1.575
   39    HB2  ALA   6           HB2      ALA   6  17.242   3.532   3.295
   40    HB3  ALA   6           HB3      ALA   6  18.359   2.871   2.101
   41    H    TRP   7           H        TRP   7  17.836   0.285   4.059
   42    HA   TRP   7           HA       TRP   7  15.888  -0.441   5.870
   43    HB2  TRP   7           HB2      TRP   7  17.800  -0.679   7.515
   44    HB3  TRP   7           HB3      TRP   7  18.011  -1.516   5.979
   45    HD1  TRP   7           HD1      TRP   7  19.913  -0.620   4.339
   46    HE1  TRP   7           HE1      TRP   7  21.942   0.916   4.723
   47    HE3  TRP   7           HE3      TRP   7  18.582   1.369   8.856
   48    HZ2  TRP   7           HZ2      TRP   7  22.858   2.731   6.682
   49    HZ3  TRP   7           HZ3      TRP   7  20.090   2.998   9.918
   50    HH2  TRP   7           HH2      TRP   7  22.183   3.663   8.852
   51    HA   PRO   8           HA       PRO   8  16.048  -0.844   8.253
   52    HB2  PRO   8           HB2      PRO   8  13.818  -0.558   9.775
   53    HB3  PRO   8           HB3      PRO   8  15.438  -0.160  10.360
   54    HG2  PRO   8           HG2      PRO   8  13.310   1.656   9.296
   55    HG3  PRO   8           HG3      PRO   8  14.373   1.879  10.697
   56    HD2  PRO   8           HD2      PRO   8  14.838   3.071   8.310
   57    HD3  PRO   8           HD3      PRO   8  16.148   2.569   9.398
   58    HA   PRO   9           HA       PRO   9  12.991  -2.413   5.510
   59    HB2  PRO   9           HB2      PRO   9  12.018  -4.557   6.861
   60    HB3  PRO   9           HB3      PRO   9  13.633  -4.526   6.142
   61    HG2  PRO   9           HG2      PRO   9  12.816  -4.066   8.985
   62    HG3  PRO   9           HG3      PRO   9  14.182  -5.003   8.351
   63    HD2  PRO   9           HD2      PRO   9  14.466  -2.496   9.333
   64    HD3  PRO   9           HD3      PRO   9  15.477  -3.126   8.016
   65    H    ILE  10           H        ILE  10  11.591  -0.530   5.724
   66    HA   ILE  10           HA       ILE  10   9.179  -1.086   7.325
   67    HB   ILE  10           HB       ILE  10  10.176   1.620   6.430
   68   HG12  ILE  10          HG12      ILE  10  10.229   0.330   9.167
   69   HG13  ILE  10          HG13      ILE  10  11.631   0.642   8.149
   70   HG21  ILE  10          HG21      ILE  10   7.765   1.537   6.617
   71   HG22  ILE  10          HG22      ILE  10   7.888   0.821   8.223
   72   HG23  ILE  10          HG23      ILE  10   8.436   2.475   7.951
   73   HD11  ILE  10          HD11      ILE  10  11.463   2.305   9.886
   74   HD12  ILE  10          HD12      ILE  10  11.184   3.049   8.312
   75   HD13  ILE  10          HD13      ILE  10   9.823   2.708   9.380
   76    H    CYS  11           H        CYS  11   7.165  -0.774   6.383
   77    HA   CYS  11           HA       CYS  11   7.014   0.046   3.596
   78    HB2  CYS  11           HB2      CYS  11   7.398  -2.563   3.946
   79    HB3  CYS  11           HB3      CYS  11   5.662  -2.532   4.239
   80    H    PHE  12           H        PHE  12   5.146   1.062   3.135
   81    HA   PHE  12           HA       PHE  12   3.295   1.544   5.284
   82    HB2  PHE  12           HB2      PHE  12   3.714   2.623   2.537
   83    HB3  PHE  12           HB3      PHE  12   2.126   2.826   3.269
   84    HD1  PHE  12           HD1      PHE  12   1.786   4.853   4.265
   85    HD2  PHE  12           HD2      PHE  12   5.685   3.150   4.359
   86    HE1  PHE  12           HE1      PHE  12   2.608   6.812   5.506
   87    HE2  PHE  12           HE2      PHE  12   6.514   5.106   5.600
   88    HZ   PHE  12           HZ       PHE  12   4.974   6.940   6.176
   89    HA   PRO  13           HA       PRO  13   0.100  -1.295   4.301
   90    HB2  PRO  13           HB2      PRO  13  -2.143   0.179   4.707
   91    HB3  PRO  13           HB3      PRO  13  -1.112  -0.385   6.028
   92    HG2  PRO  13           HG2      PRO  13  -1.207   2.304   4.717
   93    HG3  PRO  13           HG3      PRO  13  -1.081   1.903   6.439
   94    HD2  PRO  13           HD2      PRO  13   1.061   2.635   4.953
   95    HD3  PRO  13           HD3      PRO  13   1.183   1.493   6.306
   96    H    ASP  14           H        ASP  14  -0.535   1.912   2.878
   97    HA   ASP  14           HA       ASP  14  -2.301   1.175   0.889
   98    HB2  ASP  14           HB2      ASP  14  -1.203   3.150  -0.399
   99    HB3  ASP  14           HB3      ASP  14  -2.017   3.475   1.129
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   1.258   0.990   0.908
    2    HA2  GLY   1           HA2      GLY   1   1.525   0.219  -1.665
    3    HA3  GLY   1           HA3      GLY   1   0.942   1.869  -1.830
    4    H    ARG   2           H        ARG   2   2.202   3.364  -0.118
    5    HA   ARG   2           HA       ARG   2   4.777   3.673  -1.123
    6    HB2  ARG   2           HB2      ARG   2   3.615   5.516  -0.078
    7    HB3  ARG   2           HB3      ARG   2   3.577   4.670   1.463
    8    HG2  ARG   2           HG2      ARG   2   5.270   6.355   1.549
    9    HG3  ARG   2           HG3      ARG   2   6.052   4.773   1.526
   10    HD2  ARG   2           HD2      ARG   2   7.317   5.915  -0.016
   11    HD3  ARG   2           HD3      ARG   2   6.106   5.166  -1.057
   12    HE   ARG   2           HE       ARG   2   5.148   7.671  -0.296
   13   HH11  ARG   2          HH11      ARG   2   7.749   6.311  -2.168
   14   HH12  ARG   2          HH12      ARG   2   7.865   7.669  -3.237
   15   HH21  ARG   2          HH21      ARG   2   5.291   9.466  -1.697
   16   HH22  ARG   2          HH22      ARG   2   6.466   9.464  -2.967
   17    H    CYS   3           H        CYS   3   6.835   3.278  -0.268
   18    HA   CYS   3           HA       CYS   3   7.087   1.626   2.107
   19    HB2  CYS   3           HB2      CYS   3   7.606   0.635  -0.671
   20    HB3  CYS   3           HB3      CYS   3   8.608   0.052   0.654
   21    H    THR   4           H        THR   4   9.254   1.466   2.882
   22    HA   THR   4           HA       THR   4  10.864   3.764   2.125
   23    HB   THR   4           HB       THR   4  12.184   3.295   4.113
   24    HG1  THR   4           HG1      THR   4  12.237   1.101   4.271
   25   HG21  THR   4          HG21      THR   4  10.391   3.455   5.833
   26   HG22  THR   4          HG22      THR   4   9.208   3.087   4.577
   27   HG23  THR   4          HG23      THR   4  10.168   4.563   4.480
   28    H    GLN   5           H        GLN   5  12.760   3.697   1.066
   29    HA   GLN   5           HA       GLN   5  13.605   1.146  -0.038
   30    HB2  GLN   5           HB2      GLN   5  13.389   3.436  -1.281
   31    HB3  GLN   5           HB3      GLN   5  14.979   3.750  -0.597
   32    HG2  GLN   5           HG2      GLN   5  15.378   2.895  -2.738
   33    HG3  GLN   5           HG3      GLN   5  15.705   1.560  -1.635
   34   HE21  GLN   5          HE21      GLN   5  12.847   2.935  -3.237
   35   HE22  GLN   5          HE22      GLN   5  12.250   1.429  -3.837
   36    H    ALA   6           H        ALA   6  14.816   3.656   2.113
   37    HA   ALA   6           HA       ALA   6  17.347   2.264   2.470
   38    HB1  ALA   6           HB1      ALA   6  17.971   4.156   3.870
   39    HB2  ALA   6           HB2      ALA   6  17.346   4.706   2.315
   40    HB3  ALA   6           HB3      ALA   6  16.332   4.797   3.755
   41    H    TRP   7           H        TRP   7  17.891   1.051   4.196
   42    HA   TRP   7           HA       TRP   7  16.000  -0.178   5.783
   43    HB2  TRP   7           HB2      TRP   7  17.950  -0.777   7.283
   44    HB3  TRP   7           HB3      TRP   7  18.153  -1.178   5.580
   45    HD1  TRP   7           HD1      TRP   7  19.996   0.176   4.206
   46    HE1  TRP   7           HE1      TRP   7  21.991   1.620   4.953
   47    HE3  TRP   7           HE3      TRP   7  18.706   0.869   9.104
   48    HZ2  TRP   7           HZ2      TRP   7  22.899   2.884   7.308
   49    HZ3  TRP   7           HZ3      TRP   7  20.193   2.208  10.537
   50    HH2  TRP   7           HH2      TRP   7  22.245   3.194   9.655
   51    HA   PRO   8           HA       PRO   8  16.215  -1.178   7.977
   52    HB2  PRO   8           HB2      PRO   8  14.009  -1.358   9.548
   53    HB3  PRO   8           HB3      PRO   8  15.629  -1.080  10.196
   54    HG2  PRO   8           HG2      PRO   8  13.437   0.888   9.666
   55    HG3  PRO   8           HG3      PRO   8  14.521   0.772  11.064
   56    HD2  PRO   8           HD2      PRO   8  14.911   2.553   9.062
   57    HD3  PRO   8           HD3      PRO   8  16.254   1.824   9.966
   58    HA   PRO   9           HA       PRO   9  13.144  -2.071   4.960
   59    HB2  PRO   9           HB2      PRO   9  12.246  -4.517   5.724
   60    HB3  PRO   9           HB3      PRO   9  13.846  -4.258   5.018
   61    HG2  PRO   9           HG2      PRO   9  13.072  -4.567   7.893
   62    HG3  PRO   9           HG3      PRO   9  14.447  -5.272   7.022
   63    HD2  PRO   9           HD2      PRO   9  14.691  -3.095   8.614
   64    HD3  PRO   9           HD3      PRO   9  15.692  -3.337   7.168
   65    H    ILE  10           H        ILE  10  11.575  -0.485   5.382
   66    HA   ILE  10           HA       ILE  10   9.315  -1.380   7.050
   67    HB   ILE  10           HB       ILE  10  10.011   1.478   6.371
   68   HG12  ILE  10          HG12      ILE  10  10.418   0.018   8.989
   69   HG13  ILE  10          HG13      ILE  10  11.703   0.379   7.842
   70   HG21  ILE  10          HG21      ILE  10   7.764   0.156   7.717
   71   HG22  ILE  10          HG22      ILE  10   8.431   1.544   8.575
   72   HG23  ILE  10          HG23      ILE  10   7.847   1.727   6.922
   73   HD11  ILE  10          HD11      ILE  10  10.058   2.327   9.429
   74   HD12  ILE  10          HD12      ILE  10  11.790   2.013   9.551
   75   HD13  ILE  10          HD13      ILE  10  11.135   2.800   8.115
   76    H    CYS  11           H        CYS  11   7.209  -1.033   6.280
   77    HA   CYS  11           HA       CYS  11   6.851  -0.013   3.583
   78    HB2  CYS  11           HB2      CYS  11   6.885  -2.858   4.226
   79    HB3  CYS  11           HB3      CYS  11   5.374  -2.358   3.474
   80    H    PHE  12           H        PHE  12   4.974   1.042   3.394
   81    HA   PHE  12           HA       PHE  12   3.174   1.080   5.661
   82    HB2  PHE  12           HB2      PHE  12   3.614   2.760   3.247
   83    HB3  PHE  12           HB3      PHE  12   1.997   2.765   3.943
   84    HD1  PHE  12           HD1      PHE  12   1.523   4.320   5.560
   85    HD2  PHE  12           HD2      PHE  12   5.555   3.069   5.020
   86    HE1  PHE  12           HE1      PHE  12   2.253   5.955   7.248
   87    HE2  PHE  12           HE2      PHE  12   6.292   4.701   6.707
   88    HZ   PHE  12           HZ       PHE  12   4.640   6.146   7.824
   89    HA   PRO  13           HA       PRO  13  -0.031  -1.470   4.091
   90    HB2  PRO  13           HB2      PRO  13  -2.270  -0.121   4.825
   91    HB3  PRO  13           HB3      PRO  13  -1.233  -0.964   5.982
   92    HG2  PRO  13           HG2      PRO  13  -1.333   1.949   5.298
   93    HG3  PRO  13           HG3      PRO  13  -1.197   1.177   6.889
   94    HD2  PRO  13           HD2      PRO  13   0.937   2.220   5.590
   95    HD3  PRO  13           HD3      PRO  13   1.066   0.807   6.657
   96    H    ASP  14           H        ASP  14  -0.241   1.948   3.236
   97    HA   ASP  14           HA       ASP  14  -2.203   1.889   1.295
   98    HB2  ASP  14           HB2      ASP  14  -1.389   4.014   1.864
   99    HB3  ASP  14           HB3      ASP  14   0.288   3.545   1.597
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   1.559   1.610   1.445
    2    HA2  GLY   1           HA2      GLY   1   1.833  -0.943   0.866
    3    HA3  GLY   1           HA3      GLY   1   1.383  -0.346  -0.724
    4    H    ARG   2           H        ARG   2   2.787   2.196  -0.369
    5    HA   ARG   2           HA       ARG   2   5.207   1.603  -1.557
    6    HB2  ARG   2           HB2      ARG   2   4.045   3.973  -0.224
    7    HB3  ARG   2           HB3      ARG   2   5.798   3.961  -0.365
    8    HG2  ARG   2           HG2      ARG   2   5.283   4.983  -2.321
    9    HG3  ARG   2           HG3      ARG   2   5.226   3.304  -2.863
   10    HD2  ARG   2           HD2      ARG   2   2.801   3.282  -2.519
   11    HD3  ARG   2           HD3      ARG   2   2.864   4.962  -1.987
   12    HE   ARG   2           HE       ARG   2   4.008   4.677  -4.565
   13   HH11  ARG   2          HH11      ARG   2   0.952   4.756  -2.899
   14   HH12  ARG   2          HH12      ARG   2   0.070   5.338  -4.272
   15   HH21  ARG   2          HH21      ARG   2   2.858   5.445  -6.380
   16   HH22  ARG   2          HH22      ARG   2   1.156   5.729  -6.252
   17    H    CYS   3           H        CYS   3   7.392   1.743  -0.791
   18    HA   CYS   3           HA       CYS   3   7.696   1.111   2.070
   19    HB2  CYS   3           HB2      CYS   3   8.122  -0.656  -0.035
   20    HB3  CYS   3           HB3      CYS   3   9.738  -0.093   0.381
   21    H    THR   4           H        THR   4  10.069   1.316   2.748
   22    HA   THR   4           HA       THR   4  10.971   3.949   1.915
   23    HB   THR   4           HB       THR   4  12.760   3.381   3.772
   24    HG1  THR   4           HG1      THR   4  12.078   1.184   3.985
   25   HG21  THR   4          HG21      THR   4   9.869   3.889   4.482
   26   HG22  THR   4          HG22      THR   4  10.995   5.114   3.898
   27   HG23  THR   4          HG23      THR   4  11.281   4.318   5.446
   28    H    GLN   5           H        GLN   5  13.415   4.263   1.772
   29    HA   GLN   5           HA       GLN   5  14.477   2.224  -0.053
   30    HB2  GLN   5           HB2      GLN   5  15.914   3.973  -0.942
   31    HB3  GLN   5           HB3      GLN   5  14.236   4.499  -0.966
   32    HG2  GLN   5           HG2      GLN   5  14.724   5.676   1.223
   33    HG3  GLN   5           HG3      GLN   5  16.426   5.362   0.893
   34   HE21  GLN   5          HE21      GLN   5  14.215   7.679   0.752
   35   HE22  GLN   5          HE22      GLN   5  14.775   8.584  -0.609
   36    H    ALA   6           H        ALA   6  15.219   4.081   2.834
   37    HA   ALA   6           HA       ALA   6  17.800   2.725   3.100
   38    HB1  ALA   6           HB1      ALA   6  17.178   5.300   3.549
   39    HB2  ALA   6           HB2      ALA   6  16.943   4.644   5.170
   40    HB3  ALA   6           HB3      ALA   6  18.500   4.461   4.362
   41    H    TRP   7           H        TRP   7  18.230   2.439   5.683
   42    HA   TRP   7           HA       TRP   7  16.152   0.543   6.533
   43    HB2  TRP   7           HB2      TRP   7  19.119   0.668   6.949
   44    HB3  TRP   7           HB3      TRP   7  18.113  -0.222   8.088
   45    HD1  TRP   7           HD1      TRP   7  16.112  -1.185   5.560
   46    HE1  TRP   7           HE1      TRP   7  16.929  -3.200   4.182
   47    HE3  TRP   7           HE3      TRP   7  21.069  -1.063   6.806
   48    HZ2  TRP   7           HZ2      TRP   7  19.354  -4.558   3.689
   49    HZ3  TRP   7           HZ3      TRP   7  22.570  -2.756   5.838
   50    HH2  TRP   7           HH2      TRP   7  21.728  -4.466   4.313
   51    HA   PRO   8           HA       PRO   8  16.334  -0.775   8.608
   52    HB2  PRO   8           HB2      PRO   8  14.108  -1.096  10.128
   53    HB3  PRO   8           HB3      PRO   8  15.728  -0.947  10.818
   54    HG2  PRO   8           HG2      PRO   8  13.594   1.132  10.531
   55    HG3  PRO   8           HG3      PRO   8  14.661   0.807  11.909
   56    HD2  PRO   8           HD2      PRO   8  15.118   2.820  10.157
   57    HD3  PRO   8           HD3      PRO   8  16.432   1.943  10.969
   58    HA   PRO   9           HA       PRO   9  13.295  -1.144   5.452
   59    HB2  PRO   9           HB2      PRO   9  12.412  -3.688   5.802
   60    HB3  PRO   9           HB3      PRO   9  14.012  -3.307   5.153
   61    HG2  PRO   9           HG2      PRO   9  13.235  -4.088   7.936
   62    HG3  PRO   9           HG3      PRO   9  14.616  -4.632   6.966
   63    HD2  PRO   9           HD2      PRO   9  14.843  -2.743   8.893
   64    HD3  PRO   9           HD3      PRO   9  15.848  -2.739   7.429
   65    H    ILE  10           H        ILE  10  11.660   0.285   6.000
   66    HA   ILE  10           HA       ILE  10   9.448  -0.837   7.593
   67    HB   ILE  10           HB       ILE  10  10.394   1.088   8.718
   68   HG12  ILE  10          HG12      ILE  10   7.887   2.146   7.452
   69   HG13  ILE  10          HG13      ILE  10   7.827   0.694   8.444
   70   HG21  ILE  10          HG21      ILE  10  11.393   2.114   6.689
   71   HG22  ILE  10          HG22      ILE  10   9.787   2.679   6.232
   72   HG23  ILE  10          HG23      ILE  10  10.539   3.266   7.715
   73   HD11  ILE  10          HD11      ILE  10   8.133   3.494   9.219
   74   HD12  ILE  10          HD12      ILE  10   7.479   2.126  10.119
   75   HD13  ILE  10          HD13      ILE  10   9.222   2.382  10.047
   76    H    CYS  11           H        CYS  11   7.584  -1.153   6.571
   77    HA   CYS  11           HA       CYS  11   7.195   0.141   3.954
   78    HB2  CYS  11           HB2      CYS  11   7.077  -2.592   4.713
   79    HB3  CYS  11           HB3      CYS  11   5.436  -2.089   4.321
   80    H    PHE  12           H        PHE  12   5.401   1.320   3.591
   81    HA   PHE  12           HA       PHE  12   3.784   2.074   5.826
   82    HB2  PHE  12           HB2      PHE  12   3.979   2.877   2.960
   83    HB3  PHE  12           HB3      PHE  12   2.506   3.278   3.835
   84    HD1  PHE  12           HD1      PHE  12   5.361   4.686   2.759
   85    HD2  PHE  12           HD2      PHE  12   3.258   4.100   6.412
   86    HE1  PHE  12           HE1      PHE  12   6.473   6.664   3.712
   87    HE2  PHE  12           HE2      PHE  12   4.365   6.077   7.371
   88    HZ   PHE  12           HZ       PHE  12   5.974   7.362   6.021
   89    HA   PRO  13           HA       PRO  13   0.310  -0.574   5.422
   90    HB2  PRO  13           HB2      PRO  13  -1.769   1.104   5.903
   91    HB3  PRO  13           HB3      PRO  13  -0.650   0.574   7.165
   92    HG2  PRO  13           HG2      PRO  13  -0.689   3.141   5.625
   93    HG3  PRO  13           HG3      PRO  13  -0.415   2.880   7.357
   94    HD2  PRO  13           HD2      PRO  13   1.609   3.309   5.610
   95    HD3  PRO  13           HD3      PRO  13   1.789   2.281   7.046
   96    H    ASP  14           H        ASP  14   0.172   2.426   3.571
   97    HA   ASP  14           HA       ASP  14  -1.966   1.662   1.873
   98    HB2  ASP  14           HB2      ASP  14  -1.221   3.535   0.447
   99    HB3  ASP  14           HB3      ASP  14  -1.340   4.002   2.141