*HEADER    PLANT PROTEIN                           06-AUG-12   2LWQ              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 11 (PDP-11)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS DERIVED PEPTIDE 11 (PDP-11);                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PLANT PEPTIDE, PAWS DERIVED, PLANT PROTEIN                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.G.ELLIOTT, J.S.MYLNE, K.ROSENGREN                                   
*REVDAT   1   21-AUG-13 2LWQ    0                                                


#Proton-Proton Distances
  2 CYSS HB3     3 TRP  H       4.14            #peak 11
 12 ASP  H      12 ASP  HB3     4.07            #peak 12
 12 ASP  H      12 ASP  HB2     4.04            #peak 13
 15 PRO  HA     16 ASN  H       3.45            #peak 21
 13 CYSS QB     14 LYS  H       5.23            #peak 39
 13 CYSS HA     14 LYS  H       3.24            #peak 40
 12 ASP  HA     13 CYSS H       3.11            #peak 41
 12 ASP  H      13 CYSS H       5.47            #peak 42
 13 CYSS H      14 LYS  H       4.60            #peak 43
  2 CYSS HA      3 TRP  H       3.24            #peak 44
  2 CYSS HB2     3 TRP  H       4.14            #peak 45
  5 VAL  HB      7 TYR  H       3.95            #peak 84
  5 VAL  H      10 PHE  HA      4.07            #peak 176
  2 CYSS HA     13 CYSS HA      3.02            #peak 181
  3 TRP  H      13 CYSS HA      4.35            #peak 192
 11 PHE  HB3    12 ASP  H       4.04            #peak 209
 11 PHE  HB2    12 ASP  H       3.64            #peak 210
 14 LYS  QB     16 ASN  H       6.32            #peak 212
 12 ASP  HB2    13 CYSS H       4.72            #peak 217
 12 ASP  HB3    13 CYSS H       4.63            #peak 218
  8 PRO  HA     10 PHE  H       3.24            #peak 219
 11 PHE  HA     12 ASP  H       3.11            #peak 221
  4 PRO  HA     12 ASP  H       4.72            #peak 222
  4 PRO  HA     11 PHE  HA      3.58            #peak 259
  7 TYR  H      10 PHE  HA      4.45            #peak 260
  2 CYSS HA     14 LYS  H       4.38            #peak 261
  3 TRP  H      12 ASP  H       3.83            #peak 262
 10 PHE  H      11 PHE  H       3.55            #peak 270
  5 VAL  H      12 ASP  H       5.13            #peak 271
  5 VAL  H      10 PHE  H       5.50            #peak 294
  4 PRO  HB2     5 VAL  H       4.35            #peak 348
  4 PRO  HB3     5 VAL  H       4.35            #peak 349
  4 PRO  HA      5 VAL  H       3.05            #peak 365
  5 VAL  H      11 PHE  HA      3.70            #peak 371
  8 PRO  HA     10 PHE  HA      4.38            #peak 372
  7 TYR  H      10 PHE  H       5.38            #peak 391
 11 PHE  H      12 ASP  H       5.50            #peak 396
  8 PRO  HA      9 PRO  HA      3.05            #peak 416
 14 LYS  H      14 LYS  QD      6.38            #peak 16
 14 LYS  H      14 LYS  QG      6.38            #peak 17
 14 LYS  QG     16 ASN  H       6.38            #peak 19
  6 PRO  HG3     7 TYR  H       5.50            #peak 78
  6 PRO  HG2     7 TYR  H       5.50            #peak 79
  7 TYR  H       8 PRO  HD3     5.50            #peak 82
  6 PRO  HG2     7 TYR  QD      7.63            #peak 90
  6 PRO  HG3     7 TYR  QD      7.63            #peak 91
  6 PRO  HG3     7 TYR  QE      7.63            #peak 92
  5 VAL  HB      7 TYR  QE      7.63            #peak 93
  5 VAL  HB      7 TYR  QD      7.63            #peak 94
  6 PRO  HG2     7 TYR  QE      7.63            #peak 95
  6 PRO  HD2     7 TYR  QE      7.63            #peak 98
  6 PRO  HD3     7 TYR  QE      7.63            #peak 99
  7 TYR  QD      8 PRO  HD3     7.63            #peak 100
  7 TYR  H       7 TYR  QE      7.63            #peak 106
  7 TYR  HA      7 TYR  QD      7.63            #peak 110
  9 PRO  HG2    10 PHE  H       5.50            #peak 158
  9 PRO  HG3    10 PHE  H       5.50            #peak 159
  8 PRO  QG     10 PHE  H       6.39            #peak 160
  9 PRO  HD2    10 PHE  H       5.50            #peak 162
  9 PRO  HD3    10 PHE  H       5.50            #peak 163
  9 PRO  HA     10 PHE  QD      7.63            #peak 165
  9 PRO  HA     10 PHE  QE      7.63            #peak 168
 10 PHE  HA     10 PHE  QD      6.23            #peak 174
  5 VAL  H      10 PHE  HB3     5.50            #peak 177
  5 VAL  H      10 PHE  HB2     5.50            #peak 178
  3 TRP  H      12 ASP  HB2     5.50            #peak 188
  3 TRP  H      12 ASP  HB3     5.50            #peak 189
  3 TRP  H       4 PRO  QD      6.39            #peak 191
  3 TRP  HA      3 TRP  HD1     5.50            #peak 197
  3 TRP  HA      3 TRP  HE3     5.50            #peak 198
  3 TRP  HE1    12 ASP  HB2     5.50            #peak 225
  3 TRP  HE1    12 ASP  HB3     5.50            #peak 226
 11 PHE  HA     11 PHE  QD      7.63            #peak 237
  8 PRO  HD3    10 PHE  HZ      5.50            #peak 246
  8 PRO  HD3    10 PHE  QE      7.63            #peak 247
  3 TRP  H       3 TRP  HZ3     5.50            #peak 267
  2 CYSS HA      3 TRP  HE3     5.10            #peak 276
  2 CYSS HA      3 TRP  HZ3     5.50            #peak 277
  5 VAL  HA      6 PRO  HD3     3.86            #peak 304
  5 VAL  HA      6 PRO  HD2     3.86            #peak 305
 10 PHE  H      10 PHE  QD      7.63            #peak 311
  3 TRP  HA      4 PRO  HG3     5.50            #peak 323
  3 TRP  HA      4 PRO  HG2     5.50            #peak 324
  3 TRP  HZ3    14 LYS  QG      6.38            #peak 339
  3 TRP  HZ3    14 LYS  QB      6.38            #peak 340
  3 TRP  HH2    14 LYS  QG      6.38            #peak 341
  3 TRP  HH2    14 LYS  QB      6.38            #peak 343
  8 PRO  QG     10 PHE  QE      8.52            #peak 345
  8 PRO  QG     10 PHE  HZ      6.39            #peak 346
  3 TRP  HZ2    12 ASP  HB3     5.50            #peak 350
  3 TRP  HZ2    12 ASP  HB2     5.50            #peak 351
  9 PRO  HG3    11 PHE  QE      7.63            #peak 353
  9 PRO  HG2    11 PHE  QE      7.63            #peak 354
  9 PRO  HG2    11 PHE  QD      7.63            #peak 355
  9 PRO  HG3    11 PHE  QD      7.63            #peak 357
  3 TRP  HD1    12 ASP  HB2     5.50            #peak 359
  8 PRO  QG     10 PHE  QD      8.52            #peak 362
  7 TYR  HA     10 PHE  QE      7.63            #peak 366
  6 PRO  HA     10 PHE  QE      7.63            #peak 367
  6 PRO  HA     10 PHE  QD      7.63            #peak 368
  3 TRP  HD1     5 VAL  HA      5.50            #peak 369
  7 TYR  HA     10 PHE  QD      7.63            #peak 370
  3 TRP  H       3 TRP  HE3     5.44            #peak 386
  3 TRP  H       3 TRP  HD1     5.50            #peak 387
  3 TRP  H      11 PHE  QD      7.63            #peak 388
 10 PHE  H      10 PHE  QE      7.63            #peak 389
  7 TYR  QD     10 PHE  H       7.63            #peak 390
  3 TRP  HD1    12 ASP  H       5.50            #peak 395
 11 PHE  QD     12 ASP  H       7.63            #peak 397
  3 TRP  HZ3    14 LYS  H       5.50            #peak 398
  3 TRP  HH2    14 LYS  H       5.50            #peak 399
  7 TYR  H       7 TYR  QD      7.63            #peak 401
  7 TYR  H      10 PHE  QD      7.63            #peak 402
  7 TYR  H      10 PHE  QE      7.63            #peak 403
 11 PHE  QD     12 ASP  HA      7.63            #peak 420
  8 PRO  HA     10 PHE  QD      7.63            #peak 425
  8 PRO  HA     10 PHE  QE      7.63            #peak 426
  8 PRO  HA     10 PHE  HZ      5.50            #peak 427
  7 TYR  H       8 PRO  HD2     5.50            #peak 428
  8 PRO  HD2    10 PHE  QE      7.63            #peak 429
  8 PRO  HD2    10 PHE  HZ      5.50            #peak 430
  7 TYR  QD      8 PRO  HD2     7.63            #peak 431
  3 TRP  HE3     4 PRO  QD      6.39            #peak 432
  3 TRP  HD1     4 PRO  QD      6.39            #peak 434
  5 VAL  QG1     6 PRO  HD3     6.52            #peak 73
  5 VAL  QG1     6 PRO  HD2     6.52            #peak 74
  5 VAL  QG2     6 PRO  HD2     6.52            #peak 75
  5 VAL  QG2     6 PRO  HD3     6.52            #peak 76
  5 VAL  QG1     7 TYR  H       6.52            #peak 85
  5 VAL  QG2     7 TYR  H       6.52            #peak 86
  5 VAL  QG2     7 TYR  QD      8.65            #peak 101
  5 VAL  QG2     7 TYR  QE      8.65            #peak 102
  5 VAL  QG1     7 TYR  QE      8.65            #peak 103
  5 VAL  QG1     7 TYR  QD      8.65            #peak 104
  5 VAL  QG1    12 ASP  H       6.52            #peak 211
  3 TRP  HE1     5 VAL  QG1     6.52            #peak 224
  5 VAL  H       5 VAL  QG1     6.49            #peak 227
  5 VAL  QG2    12 ASP  H       6.52            #peak 296
  3 TRP  HE1     5 VAL  QG2     6.52            #peak 298
  5 VAL  H       5 VAL  QG2     6.49            #peak 299
  5 VAL  QG1    11 PHE  HA      6.52            #peak 309
  5 VAL  QG2    11 PHE  HA      6.52            #peak 310
  5 VAL  QG1    12 ASP  HB2     6.39            #peak 326
  5 VAL  QG1    12 ASP  HB3     6.52            #peak 327
  5 VAL  QG2    12 ASP  HB2     6.39            #peak 328
  5 VAL  QG2    12 ASP  HB3     6.52            #peak 329
  2 CYSS H       2 CYSS QB      3.39            #peak 10
  2 CYSS QB      3 TRP  H       3.44            #peak 11
  2 CYSS QB     13 CYSS HA      5.34            #peak 376
  3 TRP  H       5 VAL  QQG     6.42            #peak 190
  3 TRP  HA      4 PRO  QB      5.23            #peak 255
  3 TRP  QB      4 PRO  QD      4.93            #peak 322
  3 TRP  HD1     5 VAL  QQG     4.85            #peak 229
  3 TRP  HE1     5 VAL  QQG     5.24            #peak 224
  4 PRO  QB     11 PHE  HA      5.34            #peak 325
  5 VAL  HA      6 PRO  QD      3.20            #peak 304
  5 VAL  HB      6 PRO  QD      3.57            #peak 72
  5 VAL  QQG     7 TYR  H       5.04            #peak 86
  5 VAL  QQG    10 PHE  H       5.88            #peak 297
  5 VAL  QQG    10 PHE  HA      5.26            #peak 336
  5 VAL  QQG    10 PHE  QD      8.44            #peak 363
  5 VAL  QQG    11 PHE  H       5.82            #peak 338
  5 VAL  QQG    11 PHE  HA      5.56            #peak 310
  5 VAL  QQG    12 ASP  HB2     5.41            #peak 326
  5 VAL  QQG    12 ASP  HB3     5.39            #peak 327
  6 PRO  QB      7 TYR  QD      7.31            #peak 89
  6 PRO  QB      7 TYR  QE      7.32            #peak 96
  6 PRO  QD      7 TYR  H       4.96            #peak 81
  6 PRO  QD      7 TYR  QD      7.32            #peak 97
  7 TYR  HA      8 PRO  QD      3.44            #peak 114
  7 TYR  QB      8 PRO  QD      5.15            #peak 119
  7 TYR  QD      9 PRO  QD      7.32            #peak 423
  7 TYR  QE      9 PRO  QD      7.32            #peak 424
  8 PRO  QB      9 PRO  HA      3.49            #peak 417
  8 PRO  QB     10 PHE  H       4.73            #peak 220
  8 PRO  QB     10 PHE  QD      7.31            #peak 249
  8 PRO  QB     10 PHE  QE      7.32            #peak 250
  8 PRO  QB     10 PHE  HZ      5.34            #peak 251
  8 PRO  QD     10 PHE  QD      7.32            #peak 248
  9 PRO  QB     11 PHE  QD      7.31            #peak 364
  9 PRO  QB     11 PHE  QE      7.32            #peak 352
  9 PRO  QG     11 PHE  H       4.31            #peak 337
  9 PRO  QD     11 PHE  H       5.35            #peak 422
 10 PHE  QB     11 PHE  QD      7.31            #peak 171

#H-bonds
 12 ASP   H     3 TRP   O       2.30            
 12 ASP   N     3 TRP   O       3.30            
  3 TRP   H     12 ASP  O       2.30            
  3 TRP   N     12 ASP  O       3.30            
  5 VAL   H    10 PHE   O       2.30           
  5 VAL   N    10 PHE   O       3.30            
  7 TYR   H     5 VAL   O       2.30            
  7 TYR   N     5 VAL   O       3.30            
 14 LYS   H     1 GLY   O       2.30            
 14 LYS   N     1 GLY   O       3.30            


#Dihedral Angles
   2   CYSS PHI    -167.4   -82.9
   2   CYSS PSI     111.6   194.5
   4   PRO  PSI     132.3   172.7
   5   VAL  PHI    -152.3   -54.0
   5   VAL  PSI      73.9   187.3
  10   PHE  PHI     -108.5   -51.9
  10   PHE  PSI     -49.6    44.9
  11   PHE  PHI    -152.1  -112.1
  11   PHE  PSI     117.1   177.2
  12   ASP  PHI    -157.5   -49.8
  12   ASP  PSI      88.1   195.8
  13   CYSS  PHI    -161.9   -91.5
  13   CYSS  PSI     123.7   170.1
  14   LYS   PHI    -161.2   -72.9
  14   LYS   PSI      69.1   195.6
  15   PRO  PSI     131.5   171.5
   7   TYR  CHI1     30.0    90.0   
  11   PHE  CHI1     30.0    90.0
  12   ASP  CHI1    150.0   210.0   
  13   CYSS  CHI1     30.0   330.0   
  13   CYSS  CHI1   -210.0    90.0   
  13   CYSS  CHI1    -90.0   210.0   
  14   LYS  CHI1     30.0   330.0   
  14   LYS  CHI1   -210.0    90.0   
  14   LYS  CHI1    -90.0   210.0   
  16   ASN  CHI1     30.0   330.0   
  16   ASN  CHI1   -210.0    90.0   
  16   ASN  CHI1    -90.0   210.0   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -9.336   1.721  -2.132
    2    HA2  GLY   1           2HA      GLY   1  -8.018   3.265  -3.427
    3    HA3  GLY   1           3HA      GLY   1  -7.547   4.052  -1.928
    4    H    CYS   2           H        CYS   2  -5.925   2.922  -4.138
    5    HA   CYS   2           HA       CYS   2  -4.195   1.246  -2.464
    6    HB2  CYS   2           1HB      CYS   2  -4.648   0.666  -5.388
    7    HB3  CYS   2           2HB      CYS   2  -3.805  -0.341  -4.198
    8    H    TRP   3           H        TRP   3  -2.209   2.044  -2.377
    9    HA   TRP   3           HA       TRP   3  -0.971   3.229  -4.709
   10    HB2  TRP   3           1HB      TRP   3  -0.426   5.352  -3.639
   11    HB3  TRP   3           2HB      TRP   3  -2.174   5.137  -3.725
   12    HD1  TRP   3           HD       TRP   3   0.570   5.768  -1.265
   13    HE1  TRP   3           1HE      TRP   3  -0.395   5.859   1.119
   14    HE3  TRP   3           3HE      TRP   3  -4.120   3.971  -2.220
   15    HZ2  TRP   3           2HZ      TRP   3  -2.824   5.248   2.423
   16    HZ3  TRP   3           3HZ      TRP   3  -5.703   3.755  -0.349
   17    HH2  TRP   3           HH       TRP   3  -5.066   4.380   1.923
   18    HA   PRO   4           HA       PRO   4   2.652   1.492  -2.941
   19    HB2  PRO   4           1HB      PRO   4   4.582   3.130  -3.986
   20    HB3  PRO   4           2HB      PRO   4   3.694   1.942  -4.938
   21    HG2  PRO   4           1HG      PRO   4   3.206   4.886  -4.637
   22    HG3  PRO   4           2HG      PRO   4   3.214   3.878  -6.133
   23    HD2  PRO   4           1HD      PRO   4   0.922   4.665  -4.910
   24    HD3  PRO   4           2HD      PRO   4   1.076   3.110  -5.745
   25    H    VAL   5           H        VAL   5   4.232   1.780  -1.332
   26    HA   VAL   5           HA       VAL   5   4.304   4.384   0.016
   27    HB   VAL   5           HB       VAL   5   4.230   3.140   2.229
   28   HG11  VAL   5          1HG1      VAL   5   1.762   3.063   2.258
   29   HG12  VAL   5          2HG1      VAL   5   2.389   4.525   1.494
   30   HG13  VAL   5          3HG1      VAL   5   1.760   3.210   0.501
   31   HG21  VAL   5          3HG2      VAL   5   4.549   0.891   1.073
   32   HG22  VAL   5          1HG2      VAL   5   3.333   0.970   2.349
   33   HG23  VAL   5          2HG2      VAL   5   2.839   0.990   0.656
   34    HA   PRO   6           HA       PRO   6   8.629   3.647   0.279
   35    HB2  PRO   6           1HB      PRO   6   9.249   5.174   2.467
   36    HB3  PRO   6           2HB      PRO   6   8.829   5.851   0.895
   37    HG2  PRO   6           1HG      PRO   6   7.099   5.430   3.308
   38    HG3  PRO   6           2HG      PRO   6   7.226   6.872   2.235
   39    HD2  PRO   6           1HD      PRO   6   5.197   5.078   2.044
   40    HD3  PRO   6           2HD      PRO   6   5.862   5.924   0.637
   41    H    TYR   7           H        TYR   7   7.253   1.464   1.253
   42    HA   TYR   7           HA       TYR   7   9.081   0.189   2.874
   43    HB2  TYR   7           1HB      TYR   7   7.652   0.051   5.015
   44    HB3  TYR   7           2HB      TYR   7   8.620   1.503   4.756
   45    HD1  TYR   7           2HD      TYR   7   5.167   0.191   4.278
   46    HD2  TYR   7           1HD      TYR   7   7.633   3.613   4.828
   47    HE1  TYR   7           2HE      TYR   7   3.159   1.593   4.506
   48    HE2  TYR   7           1HE      TYR   7   5.633   5.025   5.059
   49    HH   TYR   7           HH       TYR   7   3.371   4.967   5.433
   50    HA   PRO   8           HA       PRO   8   6.612  -3.221   1.628
   51    HB2  PRO   8           1HB      PRO   8   7.403  -5.112   3.442
   52    HB3  PRO   8           2HB      PRO   8   8.423  -4.547   2.120
   53    HG2  PRO   8           1HG      PRO   8   8.385  -3.688   4.993
   54    HG3  PRO   8           2HG      PRO   8   9.794  -4.074   3.938
   55    HD2  PRO   8           1HD      PRO   8   9.033  -1.528   4.491
   56    HD3  PRO   8           2HD      PRO   8   9.737  -2.000   2.935
   57    HA   PRO   9           HA       PRO   9   5.187  -4.562   1.134
   58    HB2  PRO   9           1HB      PRO   9   2.631  -4.071   0.280
   59    HB3  PRO   9           2HB      PRO   9   3.083  -5.480   1.240
   60    HG2  PRO   9           1HG      PRO   9   1.893  -2.875   2.131
   61    HG3  PRO   9           2HG      PRO   9   1.439  -4.557   2.602
   62    HD2  PRO   9           1HD      PRO   9   2.945  -2.949   4.186
   63    HD3  PRO   9           2HD      PRO   9   3.171  -4.705   4.115
   64    H    PHE  10           H        PHE  10   5.954  -3.447  -0.552
   65    HA   PHE  10           HA       PHE  10   6.138  -0.656  -0.565
   66    HB2  PHE  10           1HB      PHE  10   6.496  -2.678  -2.789
   67    HB3  PHE  10           2HB      PHE  10   6.879  -0.964  -2.962
   68    HD1  PHE  10           1HD      PHE  10   8.146  -0.275  -0.453
   69    HD2  PHE  10           2HD      PHE  10   8.518  -3.808  -2.797
   70    HE1  PHE  10           1HE      PHE  10  10.389  -0.655   0.484
   71    HE2  PHE  10           2HE      PHE  10  10.761  -4.196  -1.863
   72    HZ   PHE  10           HZ       PHE  10  11.699  -2.619  -0.219
   73    H    PHE  11           H        PHE  11   3.599  -2.718  -1.547
   74    HA   PHE  11           HA       PHE  11   2.261  -0.460  -2.887
   75    HB2  PHE  11           1HB      PHE  11   0.888  -2.319  -4.026
   76    HB3  PHE  11           2HB      PHE  11   2.534  -2.041  -4.594
   77    HD1  PHE  11           1HD      PHE  11   4.309  -3.630  -4.168
   78    HD2  PHE  11           2HD      PHE  11   0.340  -4.347  -2.811
   79    HE1  PHE  11           1HE      PHE  11   4.876  -5.991  -3.770
   80    HE2  PHE  11           2HE      PHE  11   0.900  -6.709  -2.408
   81    HZ   PHE  11           HZ       PHE  11   3.171  -7.533  -2.887
   82    H    ASP  12           H        ASP  12   0.517   0.282  -1.886
   83    HA   ASP  12           HA       ASP  12  -0.722  -1.382   0.194
   84    HB2  ASP  12           1HB      ASP  12   0.250   1.065   0.526
   85    HB3  ASP  12           2HB      ASP  12  -1.342   1.525  -0.092
   86    H    CYS  13           H        CYS  13  -2.945  -1.678   0.286
   87    HA   CYS  13           HA       CYS  13  -4.712  -0.492  -1.635
   88    HB2  CYS  13           1HB      CYS  13  -3.456  -2.335  -2.882
   89    HB3  CYS  13           2HB      CYS  13  -4.354  -3.476  -1.866
   90    H    LYS  14           H        LYS  14  -6.594  -0.256  -0.639
   91    HA   LYS  14           HA       LYS  14  -7.375  -2.249   1.386
   92    HB2  LYS  14           1HB      LYS  14  -6.631   0.062   2.228
   93    HB3  LYS  14           2HB      LYS  14  -8.145   0.658   1.527
   94    HG2  LYS  14           1HG      LYS  14  -9.294  -1.160   2.935
   95    HG3  LYS  14           2HG      LYS  14  -7.758  -1.231   3.818
   96    HD2  LYS  14           1HD      LYS  14  -9.356   1.302   3.387
   97    HD3  LYS  14           2HD      LYS  14  -9.444   0.293   4.843
   98    HE2  LYS  14           1HE      LYS  14  -6.694   0.934   4.139
   99    HE3  LYS  14           2HE      LYS  14  -7.679   2.385   4.376
  100    HZ1  LYS  14           3HZ      LYS  14  -6.718   1.739   6.455
  101    HZ2  LYS  14           1HZ      LYS  14  -7.316   0.163   6.311
  102    HZ3  LYS  14           2HZ      LYS  14  -8.384   1.456   6.534
  103    HA   PRO  15           HA       PRO  15 -10.631  -1.976  -1.921
  104    HB2  PRO  15           1HB      PRO  15 -10.923  -4.684  -2.201
  105    HB3  PRO  15           2HB      PRO  15  -9.721  -3.741  -3.077
  106    HG2  PRO  15           1HG      PRO  15  -9.413  -5.347  -0.564
  107    HG3  PRO  15           2HG      PRO  15  -8.347  -5.289  -2.016
  108    HD2  PRO  15           1HD      PRO  15  -7.772  -3.957   0.278
  109    HD3  PRO  15           2HD      PRO  15  -7.348  -3.331  -1.324
  110    H    ASN  16           H        ASN  16 -12.854  -2.572  -1.771
  111    HA   ASN  16           HA       ASN  16 -13.733  -2.936   0.980
  112    HB2  ASN  16           1HB      ASN  16 -14.675  -1.119  -0.458
  113    HB3  ASN  16           2HB      ASN  16 -15.393  -2.367  -1.484
  114   HD21  ASN  16          1HD2      ASN  16 -17.270  -3.289  -0.908
  115   HD22  ASN  16          2HD2      ASN  16 -18.130  -2.932   0.547
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -9.515   2.191  -3.070
    2    HA2  GLY   1           2HA      GLY   1  -7.741   3.650  -3.222
    3    HA3  GLY   1           3HA      GLY   1  -7.731   3.726  -1.465
    4    H    CYS   2           H        CYS   2  -5.936   2.897  -4.086
    5    HA   CYS   2           HA       CYS   2  -4.187   1.205  -2.447
    6    HB2  CYS   2           1HB      CYS   2  -4.663   0.667  -5.374
    7    HB3  CYS   2           2HB      CYS   2  -3.809  -0.356  -4.206
    8    H    TRP   3           H        TRP   3  -2.221   2.045  -2.342
    9    HA   TRP   3           HA       TRP   3  -0.990   3.245  -4.675
   10    HB2  TRP   3           1HB      TRP   3  -0.448   5.360  -3.579
   11    HB3  TRP   3           2HB      TRP   3  -2.197   5.141  -3.679
   12    HD1  TRP   3           HD       TRP   3   0.530   5.765  -1.199
   13    HE1  TRP   3           1HE      TRP   3  -0.447   5.827   1.182
   14    HE3  TRP   3           3HE      TRP   3  -4.142   3.942  -2.192
   15    HZ2  TRP   3           2HZ      TRP   3  -2.876   5.187   2.468
   16    HZ3  TRP   3           3HZ      TRP   3  -5.732   3.698  -0.330
   17    HH2  TRP   3           HH       TRP   3  -5.111   4.307   1.951
   18    HA   PRO   4           HA       PRO   4   2.646   1.513  -2.931
   19    HB2  PRO   4           1HB      PRO   4   4.564   3.171  -3.969
   20    HB3  PRO   4           2HB      PRO   4   3.681   1.984  -4.928
   21    HG2  PRO   4           1HG      PRO   4   3.177   4.924  -4.602
   22    HG3  PRO   4           2HG      PRO   4   3.187   3.928  -6.105
   23    HD2  PRO   4           1HD      PRO   4   0.894   4.694  -4.868
   24    HD3  PRO   4           2HD      PRO   4   1.053   3.146  -5.718
   25    H    VAL   5           H        VAL   5   4.216   1.789  -1.317
   26    HA   VAL   5           HA       VAL   5   4.285   4.384   0.050
   27    HB   VAL   5           HB       VAL   5   4.219   3.124   2.252
   28   HG11  VAL   5          1HG1      VAL   5   2.113   4.020   0.543
   29   HG12  VAL   5          2HG1      VAL   5   1.544   2.648   1.497
   30   HG13  VAL   5          3HG1      VAL   5   2.212   4.069   2.303
   31   HG21  VAL   5          3HG2      VAL   5   4.549   0.885   1.086
   32   HG22  VAL   5          1HG2      VAL   5   3.326   0.949   2.356
   33   HG23  VAL   5          2HG2      VAL   5   2.840   0.978   0.661
   34    HA   PRO   6           HA       PRO   6   8.613   3.662   0.300
   35    HB2  PRO   6           1HB      PRO   6   9.230   5.173   2.499
   36    HB3  PRO   6           2HB      PRO   6   8.805   5.862   0.933
   37    HG2  PRO   6           1HG      PRO   6   7.081   5.416   3.346
   38    HG3  PRO   6           2HG      PRO   6   7.201   6.866   2.284
   39    HD2  PRO   6           1HD      PRO   6   5.179   5.064   2.082
   40    HD3  PRO   6           2HD      PRO   6   5.838   5.926   0.680
   41    H    TYR   7           H        TYR   7   7.248   1.466   1.259
   42    HA   TYR   7           HA       TYR   7   9.083   0.185   2.867
   43    HB2  TYR   7           1HB      TYR   7   7.658   0.025   5.009
   44    HB3  TYR   7           2HB      TYR   7   8.620   1.483   4.759
   45    HD1  TYR   7           1HD      TYR   7   5.171   0.161   4.273
   46    HD2  TYR   7           2HD      TYR   7   7.625   3.588   4.851
   47    HE1  TYR   7           1HE      TYR   7   3.158   1.553   4.517
   48    HE2  TYR   7           2HE      TYR   7   5.619   4.990   5.097
   49    HH   TYR   7           HH       TYR   7   2.398   3.586   5.206
   50    HA   PRO   8           HA       PRO   8   6.624  -3.224   1.598
   51    HB2  PRO   8           1HB      PRO   8   7.425  -5.126   3.398
   52    HB3  PRO   8           2HB      PRO   8   8.440  -4.547   2.079
   53    HG2  PRO   8           1HG      PRO   8   8.402  -3.710   4.958
   54    HG3  PRO   8           2HG      PRO   8   9.812  -4.084   3.898
   55    HD2  PRO   8           1HD      PRO   8   9.043  -1.544   4.471
   56    HD3  PRO   8           2HD      PRO   8   9.746  -2.002   2.912
   57    HA   PRO   9           HA       PRO   9   5.203  -4.566   1.095
   58    HB2  PRO   9           1HB      PRO   9   2.644  -4.076   0.248
   59    HB3  PRO   9           2HB      PRO   9   3.102  -5.491   1.197
   60    HG2  PRO   9           1HG      PRO   9   1.903  -2.897   2.110
   61    HG3  PRO   9           2HG      PRO   9   1.457  -4.584   2.567
   62    HD2  PRO   9           1HD      PRO   9   2.961  -2.984   4.162
   63    HD3  PRO   9           2HD      PRO   9   3.191  -4.738   4.078
   64    H    PHE  10           H        PHE  10   5.965  -3.435  -0.583
   65    HA   PHE  10           HA       PHE  10   6.139  -0.643  -0.575
   66    HB2  PHE  10           1HB      PHE  10   6.500  -2.647  -2.815
   67    HB3  PHE  10           2HB      PHE  10   6.879  -0.931  -2.974
   68    HD1  PHE  10           2HD      PHE  10   8.659   0.089  -1.554
   69    HD2  PHE  10           1HD      PHE  10   8.014  -4.114  -1.738
   70    HE1  PHE  10           2HE      PHE  10  10.905  -0.293  -0.625
   71    HE2  PHE  10           1HE      PHE  10  10.259  -4.503  -0.808
   72    HZ   PHE  10           HZ       PHE  10  11.708  -2.591  -0.251
   73    H    PHE  11           H        PHE  11   3.606  -2.705  -1.567
   74    HA   PHE  11           HA       PHE  11   2.259  -0.441  -2.887
   75    HB2  PHE  11           1HB      PHE  11   0.890  -2.298  -4.038
   76    HB3  PHE  11           2HB      PHE  11   2.533  -2.002  -4.611
   77    HD1  PHE  11           1HD      PHE  11   0.377  -4.330  -2.793
   78    HD2  PHE  11           2HD      PHE  11   4.306  -3.594  -4.254
   79    HE1  PHE  11           1HE      PHE  11   0.957  -6.692  -2.416
   80    HE2  PHE  11           2HE      PHE  11   4.892  -5.954  -3.881
   81    HZ   PHE  11           HZ       PHE  11   3.216  -7.507  -2.961
   82    H    ASP  12           H        ASP  12   0.514   0.286  -1.877
   83    HA   ASP  12           HA       ASP  12  -0.716  -1.400   0.191
   84    HB2  ASP  12           1HB      ASP  12   0.241   1.051   0.536
   85    HB3  ASP  12           2HB      ASP  12  -1.354   1.504  -0.076
   86    H    CYS  13           H        CYS  13  -2.929  -1.729   0.273
   87    HA   CYS  13           HA       CYS  13  -4.715  -0.533  -1.625
   88    HB2  CYS  13           1HB      CYS  13  -3.441  -2.334  -2.908
   89    HB3  CYS  13           2HB      CYS  13  -4.313  -3.507  -1.908
   90    H    LYS  14           H        LYS  14  -6.595  -0.337  -0.621
   91    HA   LYS  14           HA       LYS  14  -7.742  -2.498   0.894
   92    HB2  LYS  14           1HB      LYS  14  -6.196  -1.435   2.529
   93    HB3  LYS  14           2HB      LYS  14  -7.088   0.081   2.330
   94    HG2  LYS  14           1HG      LYS  14  -9.068  -0.855   3.274
   95    HG3  LYS  14           2HG      LYS  14  -8.355  -2.478   3.273
   96    HD2  LYS  14           1HD      LYS  14  -8.156  -1.761   5.500
   97    HD3  LYS  14           2HD      LYS  14  -6.550  -1.501   4.799
   98    HE2  LYS  14           1HE      LYS  14  -7.533   0.895   4.259
   99    HE3  LYS  14           2HE      LYS  14  -8.619   0.489   5.596
  100    HZ1  LYS  14           3HZ      LYS  14  -7.005   1.205   6.921
  101    HZ2  LYS  14           1HZ      LYS  14  -5.865   1.241   5.671
  102    HZ3  LYS  14           2HZ      LYS  14  -6.144  -0.195   6.519
  103    HA   PRO  15           HA       PRO  15 -10.702   0.370  -1.254
  104    HB2  PRO  15           1HB      PRO  15 -12.064  -1.619  -2.556
  105    HB3  PRO  15           2HB      PRO  15 -10.607  -0.858  -3.194
  106    HG2  PRO  15           1HG      PRO  15 -10.904  -3.434  -1.689
  107    HG3  PRO  15           2HG      PRO  15  -9.942  -3.086  -3.172
  108    HD2  PRO  15           1HD      PRO  15  -8.822  -3.250  -0.706
  109    HD3  PRO  15           2HD      PRO  15  -8.224  -2.147  -1.956
  110    H    ASN  16           H        ASN  16 -12.729   0.851  -0.540
  111    HA   ASN  16           HA       ASN  16 -14.302  -1.116   0.896
  112    HB2  ASN  16           1HB      ASN  16 -12.595   0.168   2.462
  113    HB3  ASN  16           2HB      ASN  16 -13.820   1.441   2.369
  114   HD21  ASN  16          1HD2      ASN  16 -12.829  -1.112   4.137
  115   HD22  ASN  16          2HD2      ASN  16 -14.313  -1.531   4.917
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -6.708   4.668  -2.100
    2    HA2  GLY   1           2HA      GLY   1  -8.542   2.551  -1.617
    3    HA3  GLY   1           3HA      GLY   1  -8.310   2.778  -3.344
    4    H    CYS   2           H        CYS   2  -6.032   2.754  -4.114
    5    HA   CYS   2           HA       CYS   2  -4.268   1.133  -2.420
    6    HB2  CYS   2           1HB      CYS   2  -4.687   0.535  -5.346
    7    HB3  CYS   2           2HB      CYS   2  -3.829  -0.448  -4.146
    8    H    TRP   3           H        TRP   3  -2.276   1.928  -2.352
    9    HA   TRP   3           HA       TRP   3  -1.070   3.163  -4.672
   10    HB2  TRP   3           1HB      TRP   3  -0.565   5.290  -3.598
   11    HB3  TRP   3           2HB      TRP   3  -2.311   5.040  -3.664
   12    HD1  TRP   3           HD       TRP   3   0.453   5.709  -1.233
   13    HE1  TRP   3           1HE      TRP   3  -0.486   5.771   1.162
   14    HE3  TRP   3           3HE      TRP   3  -4.216   3.835  -2.143
   15    HZ2  TRP   3           2HZ      TRP   3  -2.888   5.111   2.491
   16    HZ3  TRP   3           3HZ      TRP   3  -5.773   3.582  -0.254
   17    HH2  TRP   3           HH       TRP   3  -5.121   4.207   2.014
   18    HA   PRO   4           HA       PRO   4   2.587   1.479  -2.919
   19    HB2  PRO   4           1HB      PRO   4   4.485   3.155  -3.960
   20    HB3  PRO   4           2HB      PRO   4   3.617   1.958  -4.917
   21    HG2  PRO   4           1HG      PRO   4   3.077   4.890  -4.597
   22    HG3  PRO   4           2HG      PRO   4   3.100   3.893  -6.099
   23    HD2  PRO   4           1HD      PRO   4   0.798   4.633  -4.869
   24    HD3  PRO   4           2HD      PRO   4   0.976   3.085  -5.712
   25    H    VAL   5           H        VAL   5   4.149   1.777  -1.303
   26    HA   VAL   5           HA       VAL   5   4.177   4.376   0.060
   27    HB   VAL   5           HB       VAL   5   4.142   3.112   2.262
   28   HG11  VAL   5          1HG1      VAL   5   1.756   3.370   0.464
   29   HG12  VAL   5          2HG1      VAL   5   1.594   2.806   2.128
   30   HG13  VAL   5          3HG1      VAL   5   2.257   4.407   1.800
   31   HG21  VAL   5          3HG2      VAL   5   2.799   0.943   0.672
   32   HG22  VAL   5          1HG2      VAL   5   4.509   0.883   1.094
   33   HG23  VAL   5          2HG2      VAL   5   3.289   0.919   2.366
   34    HA   PRO   6           HA       PRO   6   8.519   3.737   0.302
   35    HB2  PRO   6           1HB      PRO   6   9.111   5.255   2.503
   36    HB3  PRO   6           2HB      PRO   6   8.670   5.939   0.941
   37    HG2  PRO   6           1HG      PRO   6   6.958   5.451   3.356
   38    HG3  PRO   6           2HG      PRO   6   7.049   6.908   2.297
   39    HD2  PRO   6           1HD      PRO   6   5.061   5.068   2.094
   40    HD3  PRO   6           2HD      PRO   6   5.700   5.945   0.694
   41    H    TYR   7           H        TYR   7   7.197   1.513   1.258
   42    HA   TYR   7           HA       TYR   7   9.060   0.263   2.859
   43    HB2  TYR   7           1HB      TYR   7   7.643   0.071   5.005
   44    HB3  TYR   7           2HB      TYR   7   8.578   1.546   4.755
   45    HD1  TYR   7           1HD      TYR   7   5.153   0.163   4.273
   46    HD2  TYR   7           2HD      TYR   7   7.545   3.633   4.856
   47    HE1  TYR   7           1HE      TYR   7   3.115   1.518   4.525
   48    HE2  TYR   7           2HE      TYR   7   5.514   4.997   5.111
   49    HH   TYR   7           HH       TYR   7   2.356   3.738   4.425
   50    HA   PRO   8           HA       PRO   8   6.663  -3.190   1.589
   51    HB2  PRO   8           1HB      PRO   8   7.501  -5.080   3.386
   52    HB3  PRO   8           2HB      PRO   8   8.504  -4.480   2.066
   53    HG2  PRO   8           1HG      PRO   8   8.453  -3.647   4.946
   54    HG3  PRO   8           2HG      PRO   8   9.870  -3.995   3.885
   55    HD2  PRO   8           1HD      PRO   8   9.054  -1.471   4.463
   56    HD3  PRO   8           2HD      PRO   8   9.764  -1.912   2.901
   57    HA   PRO   9           HA       PRO   9   5.267  -4.556   1.085
   58    HB2  PRO   9           1HB      PRO   9   2.697  -4.111   0.243
   59    HB3  PRO   9           2HB      PRO   9   3.184  -5.520   1.187
   60    HG2  PRO   9           1HG      PRO   9   1.938  -2.952   2.107
   61    HG3  PRO   9           2HG      PRO   9   1.523  -4.647   2.562
   62    HD2  PRO   9           1HD      PRO   9   2.999  -3.020   4.157
   63    HD3  PRO   9           2HD      PRO   9   3.262  -4.771   4.069
   64    H    PHE  10           H        PHE  10   6.005  -3.409  -0.591
   65    HA   PHE  10           HA       PHE  10   6.129  -0.615  -0.579
   66    HB2  PHE  10           1HB      PHE  10   6.524  -2.607  -2.821
   67    HB3  PHE  10           2HB      PHE  10   6.870  -0.885  -2.980
   68    HD1  PHE  10           1HD      PHE  10   8.652   0.167  -1.613
   69    HD2  PHE  10           2HD      PHE  10   8.048  -4.045  -1.697
   70    HE1  PHE  10           1HE      PHE  10  10.906  -0.170  -0.688
   71    HE2  PHE  10           2HE      PHE  10  10.302  -4.389  -0.771
   72    HZ   PHE  10           HZ       PHE  10  11.733  -2.452  -0.264
   73    H    PHE  11           H        PHE  11   3.633  -2.722  -1.573
   74    HA   PHE  11           HA       PHE  11   2.244  -0.482  -2.892
   75    HB2  PHE  11           1HB      PHE  11   0.903  -2.371  -4.032
   76    HB3  PHE  11           2HB      PHE  11   2.536  -2.039  -4.615
   77    HD1  PHE  11           1HD      PHE  11   0.453  -4.405  -2.752
   78    HD2  PHE  11           2HD      PHE  11   4.337  -3.598  -4.296
   79    HE1  PHE  11           1HE      PHE  11   1.087  -6.752  -2.376
   80    HE2  PHE  11           2HE      PHE  11   4.976  -5.943  -3.923
   81    HZ   PHE  11           HZ       PHE  11   3.350  -7.525  -2.962
   82    H    ASP  12           H        ASP  12   0.502   0.225  -1.865
   83    HA   ASP  12           HA       ASP  12  -0.702  -1.482   0.200
   84    HB2  ASP  12           1HB      ASP  12   0.228   0.978   0.550
   85    HB3  ASP  12           2HB      ASP  12  -1.375   1.416  -0.056
   86    H    CYS  13           H        CYS  13  -2.930  -1.792   0.311
   87    HA   CYS  13           HA       CYS  13  -4.715  -0.631  -1.608
   88    HB2  CYS  13           1HB      CYS  13  -3.443  -2.464  -2.853
   89    HB3  CYS  13           2HB      CYS  13  -4.326  -3.612  -1.832
   90    H    LYS  14           H        LYS  14  -6.595  -0.412  -0.607
   91    HA   LYS  14           HA       LYS  14  -7.342  -2.400   1.437
   92    HB2  LYS  14           1HB      LYS  14  -6.649  -0.111   2.299
   93    HB3  LYS  14           2HB      LYS  14  -8.107   0.517   1.517
   94    HG2  LYS  14           1HG      LYS  14  -9.142   0.114   3.447
   95    HG3  LYS  14           2HG      LYS  14  -9.071  -1.595   2.981
   96    HD2  LYS  14           1HD      LYS  14  -7.212  -2.028   4.319
   97    HD3  LYS  14           2HD      LYS  14  -6.764  -0.315   4.402
   98    HE2  LYS  14           1HE      LYS  14  -7.645  -0.820   6.531
   99    HE3  LYS  14           2HE      LYS  14  -8.931   0.044   5.678
  100    HZ1  LYS  14           3HZ      LYS  14  -9.915  -1.811   6.733
  101    HZ2  LYS  14           1HZ      LYS  14  -8.737  -2.876   6.150
  102    HZ3  LYS  14           2HZ      LYS  14  -9.855  -2.186   5.084
  103    HA   PRO  15           HA       PRO  15 -10.603  -2.239  -1.872
  104    HB2  PRO  15           1HB      PRO  15 -10.841  -4.956  -2.113
  105    HB3  PRO  15           2HB      PRO  15  -9.657  -4.001  -3.004
  106    HG2  PRO  15           1HG      PRO  15  -9.319  -5.566  -0.468
  107    HG3  PRO  15           2HG      PRO  15  -8.253  -5.506  -1.922
  108    HD2  PRO  15           1HD      PRO  15  -7.705  -4.131   0.354
  109    HD3  PRO  15           2HD      PRO  15  -7.293  -3.519  -1.257
  110    H    ASN  16           H        ASN  16 -12.811  -2.766  -1.675
  111    HA   ASN  16           HA       ASN  16 -14.776  -3.064  -0.570
  112    HB2  ASN  16           1HB      ASN  16 -13.630  -5.415  -0.410
  113    HB3  ASN  16           2HB      ASN  16 -13.450  -5.000   1.299
  114   HD21  ASN  16          1HD2      ASN  16 -15.298  -4.708   2.578
  115   HD22  ASN  16          2HD2      ASN  16 -16.830  -5.354   2.108
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -8.471   2.177  -4.045
    2    HA2  GLY   1           2HA      GLY   1  -7.590   4.113  -2.029
    3    HA3  GLY   1           3HA      GLY   1  -8.518   2.724  -1.483
    4    H    CYS   2           H        CYS   2  -6.034   2.890  -4.006
    5    HA   CYS   2           HA       CYS   2  -4.271   1.254  -2.323
    6    HB2  CYS   2           1HB      CYS   2  -4.716   0.666  -5.246
    7    HB3  CYS   2           2HB      CYS   2  -3.865  -0.330  -4.052
    8    H    TRP   3           H        TRP   3  -2.257   2.000  -2.283
    9    HA   TRP   3           HA       TRP   3  -1.061   3.235  -4.605
   10    HB2  TRP   3           1HB      TRP   3  -0.521   5.353  -3.533
   11    HB3  TRP   3           2HB      TRP   3  -2.270   5.124  -3.575
   12    HD1  TRP   3           HD       TRP   3   0.539   5.751  -1.184
   13    HE1  TRP   3           1HE      TRP   3  -0.364   5.819   1.226
   14    HE3  TRP   3           3HE      TRP   3  -4.168   3.943  -2.028
   15    HZ2  TRP   3           2HZ      TRP   3  -2.755   5.189   2.588
   16    HZ3  TRP   3           3HZ      TRP   3  -5.701   3.706  -0.118
   17    HH2  TRP   3           HH       TRP   3  -5.006   4.316   2.142
   18    HA   PRO   4           HA       PRO   4   2.588   1.497  -2.891
   19    HB2  PRO   4           1HB      PRO   4   4.500   3.152  -3.943
   20    HB3  PRO   4           2HB      PRO   4   3.607   1.969  -4.896
   21    HG2  PRO   4           1HG      PRO   4   3.110   4.908  -4.563
   22    HG3  PRO   4           2HG      PRO   4   3.106   3.915  -6.067
   23    HD2  PRO   4           1HD      PRO   4   0.825   4.681  -4.812
   24    HD3  PRO   4           2HD      PRO   4   0.975   3.135  -5.664
   25    H    VAL   5           H        VAL   5   4.201   1.784  -1.309
   26    HA   VAL   5           HA       VAL   5   4.265   4.372   0.069
   27    HB   VAL   5           HB       VAL   5   4.238   3.102   2.268
   28   HG11  VAL   5          1HG1      VAL   5   2.372   4.452   1.734
   29   HG12  VAL   5          2HG1      VAL   5   1.796   3.306   0.522
   30   HG13  VAL   5          3HG1      VAL   5   1.718   2.893   2.236
   31   HG21  VAL   5          3HG2      VAL   5   4.560   0.870   1.084
   32   HG22  VAL   5          1HG2      VAL   5   3.360   0.923   2.375
   33   HG23  VAL   5          2HG2      VAL   5   2.843   0.957   0.689
   34    HA   PRO   6           HA       PRO   6   8.601   3.675   0.260
   35    HB2  PRO   6           1HB      PRO   6   9.238   5.181   2.456
   36    HB3  PRO   6           2HB      PRO   6   8.788   5.874   0.899
   37    HG2  PRO   6           1HG      PRO   6   7.099   5.407   3.333
   38    HG3  PRO   6           2HG      PRO   6   7.195   6.863   2.274
   39    HD2  PRO   6           1HD      PRO   6   5.182   5.051   2.092
   40    HD3  PRO   6           2HD      PRO   6   5.817   5.921   0.686
   41    H    TYR   7           H        TYR   7   7.258   1.468   1.229
   42    HA   TYR   7           HA       TYR   7   9.123   0.192   2.808
   43    HB2  TYR   7           1HB      TYR   7   7.725   0.015   4.969
   44    HB3  TYR   7           2HB      TYR   7   8.678   1.479   4.712
   45    HD1  TYR   7           2HD      TYR   7   5.229   0.141   4.271
   46    HD2  TYR   7           1HD      TYR   7   7.674   3.579   4.820
   47    HE1  TYR   7           2HE      TYR   7   3.214   1.524   4.545
   48    HE2  TYR   7           1HE      TYR   7   5.665   4.971   5.097
   49    HH   TYR   7           HH       TYR   7   2.477   3.741   4.466
   50    HA   PRO   8           HA       PRO   8   6.668  -3.227   1.557
   51    HB2  PRO   8           1HB      PRO   8   7.504  -5.132   3.339
   52    HB3  PRO   8           2HB      PRO   8   8.499  -4.540   2.009
   53    HG2  PRO   8           1HG      PRO   8   8.494  -3.716   4.892
   54    HG3  PRO   8           2HG      PRO   8   9.892  -4.077   3.812
   55    HD2  PRO   8           1HD      PRO   8   9.114  -1.544   4.406
   56    HD3  PRO   8           2HD      PRO   8   9.800  -1.991   2.835
   57    HA   PRO   9           HA       PRO   9   5.249  -4.576   1.068
   58    HB2  PRO   9           1HB      PRO   9   2.676  -4.099   0.258
   59    HB3  PRO   9           2HB      PRO   9   3.156  -5.515   1.193
   60    HG2  PRO   9           1HG      PRO   9   1.954  -2.932   2.132
   61    HG3  PRO   9           2HG      PRO   9   1.523  -4.624   2.589
   62    HD2  PRO   9           1HD      PRO   9   3.038  -3.020   4.170
   63    HD3  PRO   9           2HD      PRO   9   3.278  -4.773   4.076
   64    H    PHE  10           H        PHE  10   5.981  -3.435  -0.616
   65    HA   PHE  10           HA       PHE  10   6.139  -0.641  -0.599
   66    HB2  PHE  10           1HB      PHE  10   6.484  -2.634  -2.851
   67    HB3  PHE  10           2HB      PHE  10   6.848  -0.914  -3.009
   68    HD1  PHE  10           2HD      PHE  10   8.399   0.028  -1.039
   69    HD2  PHE  10           1HD      PHE  10   8.261  -4.013  -2.369
   70    HE1  PHE  10           2HE      PHE  10  10.659  -0.342  -0.140
   71    HE2  PHE  10           1HE      PHE  10  10.520  -4.390  -1.471
   72    HZ   PHE  10           HZ       PHE  10  11.723  -2.552  -0.355
   73    H    PHE  11           H        PHE  11   3.606  -2.717  -1.568
   74    HA   PHE  11           HA       PHE  11   2.229  -0.458  -2.867
   75    HB2  PHE  11           1HB      PHE  11   0.850  -2.329  -3.992
   76    HB3  PHE  11           2HB      PHE  11   2.481  -2.019  -4.593
   77    HD1  PHE  11           1HD      PHE  11   0.370  -4.365  -2.750
   78    HD2  PHE  11           2HD      PHE  11   4.277  -3.594  -4.251
   79    HE1  PHE  11           1HE      PHE  11   0.973  -6.721  -2.381
   80    HE2  PHE  11           2HE      PHE  11   4.886  -5.949  -3.885
   81    HZ   PHE  11           HZ       PHE  11   3.234  -7.517  -2.949
   82    H    ASP  12           H        ASP  12   0.502   0.267  -1.828
   83    HA   ASP  12           HA       ASP  12  -0.702  -1.429   0.248
   84    HB2  ASP  12           1HB      ASP  12   0.276   1.013   0.604
   85    HB3  ASP  12           2HB      ASP  12  -1.326   1.482   0.019
   86    H    CYS  13           H        CYS  13  -2.925  -1.720   0.375
   87    HA   CYS  13           HA       CYS  13  -4.719  -0.506  -1.506
   88    HB2  CYS  13           1HB      CYS  13  -3.496  -2.326  -2.802
   89    HB3  CYS  13           2HB      CYS  13  -4.354  -3.488  -1.776
   90    H    LYS  14           H        LYS  14  -6.583  -0.276  -0.476
   91    HA   LYS  14           HA       LYS  14  -7.291  -2.240   1.604
   92    HB2  LYS  14           1HB      LYS  14  -6.706   0.258   2.194
   93    HB3  LYS  14           2HB      LYS  14  -8.361   0.555   1.637
   94    HG2  LYS  14           1HG      LYS  14  -9.317  -0.632   3.368
   95    HG3  LYS  14           2HG      LYS  14  -7.849  -1.583   3.654
   96    HD2  LYS  14           1HD      LYS  14  -7.779   1.381   4.084
   97    HD3  LYS  14           2HD      LYS  14  -8.524   0.334   5.305
   98    HE2  LYS  14           1HE      LYS  14  -5.836  -0.430   4.258
   99    HE3  LYS  14           2HE      LYS  14  -5.946   0.941   5.371
  100    HZ1  LYS  14           3HZ      LYS  14  -6.319  -1.881   5.886
  101    HZ2  LYS  14           1HZ      LYS  14  -7.459  -0.873   6.625
  102    HZ3  LYS  14           2HZ      LYS  14  -5.809  -0.647   6.925
  103    HA   PRO  15           HA       PRO  15 -10.543  -2.360  -1.712
  104    HB2  PRO  15           1HB      PRO  15 -10.681  -5.093  -1.819
  105    HB3  PRO  15           2HB      PRO  15  -9.528  -4.139  -2.753
  106    HG2  PRO  15           1HG      PRO  15  -9.142  -5.566  -0.144
  107    HG3  PRO  15           2HG      PRO  15  -8.074  -5.537  -1.596
  108    HD2  PRO  15           1HD      PRO  15  -7.588  -4.032   0.612
  109    HD3  PRO  15           2HD      PRO  15  -7.192  -3.485  -1.027
  110    H    ASN  16           H        ASN  16 -12.731  -2.939  -1.489
  111    HA   ASN  16           HA       ASN  16 -13.654  -3.068   1.225
  112    HB2  ASN  16           1HB      ASN  16 -14.720  -1.781  -0.732
  113    HB3  ASN  16           2HB      ASN  16 -15.389  -3.342  -1.223
  114   HD21  ASN  16          1HD2      ASN  16 -17.501  -2.741  -0.875
  115   HD22  ASN  16          2HD2      ASN  16 -18.159  -2.510   0.706
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -7.348   4.185  -1.112
    2    HA2  GLY   1           2HA      GLY   1  -8.750   2.348  -2.496
    3    HA3  GLY   1           3HA      GLY   1  -7.990   3.270  -3.785
    4    H    CYS   2           H        CYS   2  -5.998   2.716  -4.401
    5    HA   CYS   2           HA       CYS   2  -4.328   1.164  -2.550
    6    HB2  CYS   2           1HB      CYS   2  -4.575   0.451  -5.468
    7    HB3  CYS   2           2HB      CYS   2  -3.820  -0.494  -4.172
    8    H    TRP   3           H        TRP   3  -2.388   2.049  -2.362
    9    HA   TRP   3           HA       TRP   3  -1.072   3.206  -4.686
   10    HB2  TRP   3           1HB      TRP   3  -0.597   5.328  -3.640
   11    HB3  TRP   3           2HB      TRP   3  -2.342   5.072  -3.633
   12    HD1  TRP   3           HD       TRP   3   0.536   5.712  -1.319
   13    HE1  TRP   3           1HE      TRP   3  -0.305   5.791   1.113
   14    HE3  TRP   3           3HE      TRP   3  -4.198   3.921  -2.037
   15    HZ2  TRP   3           2HZ      TRP   3  -2.662   5.174   2.538
   16    HZ3  TRP   3           3HZ      TRP   3  -5.683   3.695  -0.088
   17    HH2  TRP   3           HH       TRP   3  -4.928   4.309   2.152
   18    HA   PRO   4           HA       PRO   4   2.518   1.452  -2.867
   19    HB2  PRO   4           1HB      PRO   4   4.465   3.107  -3.855
   20    HB3  PRO   4           2HB      PRO   4   3.598   1.927  -4.838
   21    HG2  PRO   4           1HG      PRO   4   3.097   4.867  -4.512
   22    HG3  PRO   4           2HG      PRO   4   3.138   3.877  -6.019
   23    HD2  PRO   4           1HD      PRO   4   0.819   4.645  -4.834
   24    HD3  PRO   4           2HD      PRO   4   0.993   3.101  -5.683
   25    H    VAL   5           H        VAL   5   4.165   1.776  -1.290
   26    HA   VAL   5           HA       VAL   5   4.133   4.342   0.128
   27    HB   VAL   5           HB       VAL   5   4.115   3.045   2.311
   28   HG11  VAL   5          1HG1      VAL   5   1.651   3.101   0.575
   29   HG12  VAL   5          2HG1      VAL   5   1.638   2.844   2.322
   30   HG13  VAL   5          3HG1      VAL   5   2.221   4.370   1.658
   31   HG21  VAL   5          3HG2      VAL   5   4.516   0.836   1.111
   32   HG22  VAL   5          1HG2      VAL   5   3.293   0.841   2.381
   33   HG23  VAL   5          2HG2      VAL   5   2.805   0.880   0.687
   34    HA   PRO   6           HA       PRO   6   8.484   3.761   0.359
   35    HB2  PRO   6           1HB      PRO   6   9.056   5.257   2.580
   36    HB3  PRO   6           2HB      PRO   6   8.603   5.956   1.027
   37    HG2  PRO   6           1HG      PRO   6   6.900   5.411   3.436
   38    HG3  PRO   6           2HG      PRO   6   6.969   6.883   2.398
   39    HD2  PRO   6           1HD      PRO   6   5.009   5.019   2.170
   40    HD3  PRO   6           2HD      PRO   6   5.634   5.923   0.782
   41    H    TYR   7           H        TYR   7   7.194   1.505   1.284
   42    HA   TYR   7           HA       TYR   7   9.075   0.261   2.868
   43    HB2  TYR   7           1HB      TYR   7   7.660   0.018   5.010
   44    HB3  TYR   7           2HB      TYR   7   8.574   1.510   4.781
   45    HD1  TYR   7           1HD      TYR   7   5.169   0.083   4.281
   46    HD2  TYR   7           2HD      TYR   7   7.510   3.580   4.909
   47    HE1  TYR   7           1HE      TYR   7   3.112   1.404   4.552
   48    HE2  TYR   7           2HE      TYR   7   5.459   4.910   5.182
   49    HH   TYR   7           HH       TYR   7   3.036   4.436   5.879
   50    HA   PRO   8           HA       PRO   8   6.727  -3.204   1.539
   51    HB2  PRO   8           1HB      PRO   8   7.613  -5.115   3.289
   52    HB3  PRO   8           2HB      PRO   8   8.594  -4.471   1.975
   53    HG2  PRO   8           1HG      PRO   8   8.554  -3.696   4.873
   54    HG3  PRO   8           2HG      PRO   8   9.965  -3.998   3.792
   55    HD2  PRO   8           1HD      PRO   8   9.112  -1.499   4.426
   56    HD3  PRO   8           2HD      PRO   8   9.816  -1.899   2.851
   57    HA   PRO   9           HA       PRO   9   5.353  -4.589   1.020
   58    HB2  PRO   9           1HB      PRO   9   2.770  -4.178   0.207
   59    HB3  PRO   9           2HB      PRO   9   3.288  -5.594   1.121
   60    HG2  PRO   9           1HG      PRO   9   2.002  -3.065   2.096
   61    HG3  PRO   9           2HG      PRO   9   1.624  -4.776   2.524
   62    HD2  PRO   9           1HD      PRO   9   3.082  -3.151   4.137
   63    HD3  PRO   9           2HD      PRO   9   3.376  -4.894   4.016
   64    H    PHE  10           H        PHE  10   6.054  -3.400  -0.643
   65    HA   PHE  10           HA       PHE  10   6.126  -0.603  -0.580
   66    HB2  PHE  10           1HB      PHE  10   6.539  -2.547  -2.862
   67    HB3  PHE  10           2HB      PHE  10   6.855  -0.816  -2.990
   68    HD1  PHE  10           2HD      PHE  10   8.327   0.105  -0.904
   69    HD2  PHE  10           1HD      PHE  10   8.399  -3.845  -2.490
   70    HE1  PHE  10           2HE      PHE  10  10.592  -0.213  -0.000
   71    HE2  PHE  10           1HE      PHE  10  10.665  -4.169  -1.588
   72    HZ   PHE  10           HZ       PHE  10  11.765  -2.351  -0.342
   73    H    PHE  11           H        PHE  11   3.664  -2.740  -1.595
   74    HA   PHE  11           HA       PHE  11   2.239  -0.516  -2.904
   75    HB2  PHE  11           1HB      PHE  11   0.878  -2.425  -3.980
   76    HB3  PHE  11           2HB      PHE  11   2.504  -2.116  -4.594
   77    HD1  PHE  11           2HD      PHE  11   4.337  -3.648  -4.155
   78    HD2  PHE  11           1HD      PHE  11   0.399  -4.454  -2.754
   79    HE1  PHE  11           2HE      PHE  11   4.968  -5.988  -3.735
   80    HE2  PHE  11           1HE      PHE  11   1.025  -6.795  -2.330
   81    HZ   PHE  11           HZ       PHE  11   3.312  -7.566  -2.823
   82    H    ASP  12           H        ASP  12   0.515   0.214  -1.863
   83    HA   ASP  12           HA       ASP  12  -0.684  -1.473   0.226
   84    HB2  ASP  12           1HB      ASP  12   0.338   0.948   0.602
   85    HB3  ASP  12           2HB      ASP  12  -1.260   1.450   0.034
   86    H    CYS  13           H        CYS  13  -2.900  -1.763   0.342
   87    HA   CYS  13           HA       CYS  13  -4.698  -0.481  -1.486
   88    HB2  CYS  13           1HB      CYS  13  -3.554  -2.198  -2.908
   89    HB3  CYS  13           2HB      CYS  13  -4.251  -3.446  -1.861
   90    H    LYS  14           H        LYS  14  -6.556  -0.276  -0.440
   91    HA   LYS  14           HA       LYS  14  -7.227  -2.260   1.632
   92    HB2  LYS  14           1HB      LYS  14  -6.750   0.268   2.179
   93    HB3  LYS  14           2HB      LYS  14  -8.409   0.488   1.602
   94    HG2  LYS  14           1HG      LYS  14  -9.329  -0.763   3.331
   95    HG3  LYS  14           2HG      LYS  14  -7.785  -1.559   3.692
   96    HD2  LYS  14           1HD      LYS  14  -6.872   0.467   4.618
   97    HD3  LYS  14           2HD      LYS  14  -8.300   1.384   4.104
   98    HE2  LYS  14           1HE      LYS  14  -9.143  -0.859   5.684
   99    HE3  LYS  14           2HE      LYS  14  -7.886   0.036   6.549
  100    HZ1  LYS  14           3HZ      LYS  14  -9.149   1.995   6.488
  101    HZ2  LYS  14           1HZ      LYS  14 -10.253   0.784   6.907
  102    HZ3  LYS  14           2HZ      LYS  14 -10.219   1.388   5.328
  103    HA   PRO  15           HA       PRO  15 -10.444  -2.591  -1.699
  104    HB2  PRO  15           1HB      PRO  15 -10.481  -5.329  -1.730
  105    HB3  PRO  15           2HB      PRO  15  -9.356  -4.361  -2.680
  106    HG2  PRO  15           1HG      PRO  15  -8.945  -5.696  -0.025
  107    HG3  PRO  15           2HG      PRO  15  -7.863  -5.670  -1.468
  108    HD2  PRO  15           1HD      PRO  15  -7.453  -4.087   0.698
  109    HD3  PRO  15           2HD      PRO  15  -7.062  -3.572  -0.951
  110    H    ASN  16           H        ASN  16 -12.612  -3.270  -1.487
  111    HA   ASN  16           HA       ASN  16 -13.571  -3.316   1.214
  112    HB2  ASN  16           1HB      ASN  16 -14.828  -2.099  -0.455
  113    HB3  ASN  16           2HB      ASN  16 -15.005  -3.557  -1.439
  114   HD21  ASN  16          1HD2      ASN  16 -16.138  -1.819   1.312
  115   HD22  ASN  16          2HD2      ASN  16 -17.491  -2.834   1.664
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.408   2.738  -0.820
    2    HA2  GLY   1           2HA      GLY   1  -8.377   2.743  -3.723
    3    HA3  GLY   1           3HA      GLY   1  -7.582   4.116  -2.967
    4    H    CYS   2           H        CYS   2  -5.945   2.796  -4.464
    5    HA   CYS   2           HA       CYS   2  -4.308   1.245  -2.585
    6    HB2  CYS   2           1HB      CYS   2  -4.536   0.511  -5.498
    7    HB3  CYS   2           2HB      CYS   2  -3.801  -0.431  -4.189
    8    H    TRP   3           H        TRP   3  -2.362   2.115  -2.386
    9    HA   TRP   3           HA       TRP   3  -1.016   3.244  -4.707
   10    HB2  TRP   3           1HB      TRP   3  -0.530   5.366  -3.678
   11    HB3  TRP   3           2HB      TRP   3  -2.277   5.123  -3.654
   12    HD1  TRP   3           HD       TRP   3   0.630   5.740  -1.365
   13    HE1  TRP   3           1HE      TRP   3  -0.190   5.839   1.073
   14    HE3  TRP   3           3HE      TRP   3  -4.133   4.009  -2.039
   15    HZ2  TRP   3           2HZ      TRP   3  -2.544   5.261   2.519
   16    HZ3  TRP   3           3HZ      TRP   3  -5.605   3.811  -0.077
   17    HH2  TRP   3           HH       TRP   3  -4.825   4.425   2.154
   18    HA   PRO   4           HA       PRO   4   2.543   1.451  -2.865
   19    HB2  PRO   4           1HB      PRO   4   4.514   3.078  -3.848
   20    HB3  PRO   4           2HB      PRO   4   3.638   1.905  -4.832
   21    HG2  PRO   4           1HG      PRO   4   3.171   4.851  -4.520
   22    HG3  PRO   4           2HG      PRO   4   3.207   3.857  -6.022
   23    HD2  PRO   4           1HD      PRO   4   0.893   4.658  -4.849
   24    HD3  PRO   4           2HD      PRO   4   1.052   3.108  -5.694
   25    H    VAL   5           H        VAL   5   4.195   1.765  -1.288
   26    HA   VAL   5           HA       VAL   5   4.177   4.333   0.127
   27    HB   VAL   5           HB       VAL   5   4.149   3.038   2.312
   28   HG11  VAL   5          1HG1      VAL   5   2.258   4.337   1.826
   29   HG12  VAL   5          2HG1      VAL   5   1.747   3.262   0.524
   30   HG13  VAL   5          3HG1      VAL   5   1.618   2.738   2.203
   31   HG21  VAL   5          3HG2      VAL   5   2.827   0.882   0.688
   32   HG22  VAL   5          1HG2      VAL   5   4.538   0.827   1.115
   33   HG23  VAL   5          2HG2      VAL   5   3.312   0.839   2.383
   34    HA   PRO   6           HA       PRO   6   8.523   3.726   0.365
   35    HB2  PRO   6           1HB      PRO   6   9.101   5.218   2.587
   36    HB3  PRO   6           2HB      PRO   6   8.655   5.920   1.033
   37    HG2  PRO   6           1HG      PRO   6   6.947   5.386   3.440
   38    HG3  PRO   6           2HG      PRO   6   7.025   6.857   2.401
   39    HD2  PRO   6           1HD      PRO   6   5.053   5.006   2.172
   40    HD3  PRO   6           2HD      PRO   6   5.687   5.905   0.783
   41    H    TYR   7           H        TYR   7   7.220   1.478   1.288
   42    HA   TYR   7           HA       TYR   7   9.091   0.222   2.875
   43    HB2  TYR   7           1HB      TYR   7   7.674  -0.011   5.016
   44    HB3  TYR   7           2HB      TYR   7   8.597   1.476   4.787
   45    HD1  TYR   7           1HD      TYR   7   5.184   0.070   4.282
   46    HD2  TYR   7           2HD      TYR   7   7.545   3.552   4.917
   47    HE1  TYR   7           1HE      TYR   7   3.135   1.402   4.550
   48    HE2  TYR   7           2HE      TYR   7   5.502   4.894   5.188
   49    HH   TYR   7           HH       TYR   7   2.655   3.790   5.891
   50    HA   PRO   8           HA       PRO   8   6.722  -3.229   1.544
   51    HB2  PRO   8           1HB      PRO   8   7.593  -5.143   3.297
   52    HB3  PRO   8           2HB      PRO   8   8.580  -4.506   1.983
   53    HG2  PRO   8           1HG      PRO   8   8.542  -3.731   4.880
   54    HG3  PRO   8           2HG      PRO   8   9.954  -4.042   3.802
   55    HD2  PRO   8           1HD      PRO   8   9.115  -1.538   4.434
   56    HD3  PRO   8           2HD      PRO   8   9.819  -1.943   2.859
   57    HA   PRO   9           HA       PRO   9   5.340  -4.605   1.027
   58    HB2  PRO   9           1HB      PRO   9   2.760  -4.176   0.209
   59    HB3  PRO   9           2HB      PRO   9   3.269  -5.596   1.126
   60    HG2  PRO   9           1HG      PRO   9   1.998  -3.058   2.099
   61    HG3  PRO   9           2HG      PRO   9   1.608  -4.766   2.526
   62    HD2  PRO   9           1HD      PRO   9   3.075  -3.150   4.140
   63    HD3  PRO   9           2HD      PRO   9   3.358  -4.896   4.020
   64    H    PHE  10           H        PHE  10   6.049  -3.421  -0.638
   65    HA   PHE  10           HA       PHE  10   6.140  -0.625  -0.576
   66    HB2  PHE  10           1HB      PHE  10   6.543  -2.573  -2.856
   67    HB3  PHE  10           2HB      PHE  10   6.869  -0.844  -2.985
   68    HD1  PHE  10           1HD      PHE  10   8.661   0.202  -1.641
   69    HD2  PHE  10           2HD      PHE  10   8.078  -4.014  -1.741
   70    HE1  PHE  10           1HE      PHE  10  10.924  -0.130  -0.735
   71    HE2  PHE  10           2HE      PHE  10  10.341  -4.351  -0.835
   72    HZ   PHE  10           HZ       PHE  10  11.767  -2.409  -0.331
   73    H    PHE  11           H        PHE  11   3.663  -2.745  -1.587
   74    HA   PHE  11           HA       PHE  11   2.257  -0.516  -2.907
   75    HB2  PHE  11           1HB      PHE  11   0.875  -2.424  -3.965
   76    HB3  PHE  11           2HB      PHE  11   2.500  -2.126  -4.588
   77    HD1  PHE  11           2HD      PHE  11   4.321  -3.670  -4.171
   78    HD2  PHE  11           1HD      PHE  11   0.400  -4.437  -2.701
   79    HE1  PHE  11           2HE      PHE  11   4.943  -6.011  -3.740
   80    HE2  PHE  11           1HE      PHE  11   1.017  -6.778  -2.267
   81    HZ   PHE  11           HZ       PHE  11   3.291  -7.568  -2.787
   82    H    ASP  12           H        ASP  12   0.543   0.240  -1.868
   83    HA   ASP  12           HA       ASP  12  -0.676  -1.427   0.227
   84    HB2  ASP  12           1HB      ASP  12   0.382   0.980   0.601
   85    HB3  ASP  12           2HB      ASP  12  -1.208   1.505   0.033
   86    H    CYS  13           H        CYS  13  -2.896  -1.678   0.348
   87    HA   CYS  13           HA       CYS  13  -4.676  -0.373  -1.482
   88    HB2  CYS  13           1HB      CYS  13  -3.566  -2.107  -2.906
   89    HB3  CYS  13           2HB      CYS  13  -4.267  -3.346  -1.848
   90    H    LYS  14           H        LYS  14  -6.527  -0.134  -0.434
   91    HA   LYS  14           HA       LYS  14  -7.229  -2.102   1.644
   92    HB2  LYS  14           1HB      LYS  14  -6.722   0.143   2.520
   93    HB3  LYS  14           2HB      LYS  14  -7.985   0.822   1.482
   94    HG2  LYS  14           1HG      LYS  14  -9.705  -0.052   2.744
   95    HG3  LYS  14           2HG      LYS  14  -8.683  -1.334   3.423
   96    HD2  LYS  14           1HD      LYS  14  -7.368   0.671   4.489
   97    HD3  LYS  14           2HD      LYS  14  -8.885   1.542   4.207
   98    HE2  LYS  14           1HE      LYS  14  -8.613  -1.047   5.754
   99    HE3  LYS  14           2HE      LYS  14  -8.781   0.566   6.462
  100    HZ1  LYS  14           3HZ      LYS  14 -10.934   0.742   5.248
  101    HZ2  LYS  14           1HZ      LYS  14 -10.910  -0.441   6.456
  102    HZ3  LYS  14           2HZ      LYS  14 -10.783  -0.890   4.830
  103    HA   PRO  15           HA       PRO  15 -10.456  -2.390  -1.682
  104    HB2  PRO  15           1HB      PRO  15 -10.542  -5.129  -1.696
  105    HB3  PRO  15           2HB      PRO  15  -9.400  -4.186  -2.652
  106    HG2  PRO  15           1HG      PRO  15  -9.011  -5.514   0.008
  107    HG3  PRO  15           2HG      PRO  15  -7.931  -5.515  -1.435
  108    HD2  PRO  15           1HD      PRO  15  -7.492  -3.927   0.723
  109    HD3  PRO  15           2HD      PRO  15  -7.091  -3.429  -0.930
  110    H    ASN  16           H        ASN  16 -12.630  -2.795  -1.390
  111    HA   ASN  16           HA       ASN  16 -13.714  -2.662   1.149
  112    HB2  ASN  16           1HB      ASN  16 -15.855  -3.485   0.026
  113    HB3  ASN  16           2HB      ASN  16 -15.105  -2.039  -0.660
  114   HD21  ASN  16          1HD2      ASN  16 -15.439  -5.516  -1.063
  115   HD22  ASN  16          2HD2      ASN  16 -15.172  -5.529  -2.770
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -9.098   3.760  -1.288
    2    HA2  GLY   1           2HA      GLY   1  -8.725   2.370  -3.077
    3    HA3  GLY   1           3HA      GLY   1  -7.772   3.692  -3.734
    4    H    CYS   2           H        CYS   2  -6.012   2.702  -4.530
    5    HA   CYS   2           HA       CYS   2  -4.364   1.184  -2.626
    6    HB2  CYS   2           1HB      CYS   2  -4.585   0.463  -5.546
    7    HB3  CYS   2           2HB      CYS   2  -3.824  -0.474  -4.247
    8    H    TRP   3           H        TRP   3  -2.422   2.057  -2.410
    9    HA   TRP   3           HA       TRP   3  -1.062   3.203  -4.716
   10    HB2  TRP   3           1HB      TRP   3  -0.613   5.328  -3.700
   11    HB3  TRP   3           2HB      TRP   3  -2.356   5.064  -3.642
   12    HD1  TRP   3           HD       TRP   3   0.589   5.710  -1.408
   13    HE1  TRP   3           1HE      TRP   3  -0.187   5.805   1.044
   14    HE3  TRP   3           3HE      TRP   3  -4.172   3.941  -1.994
   15    HZ2  TRP   3           2HZ      TRP   3  -2.511   5.210   2.533
   16    HZ3  TRP   3           3HZ      TRP   3  -5.606   3.734  -0.006
   17    HH2  TRP   3           HH       TRP   3  -4.790   4.355   2.210
   18    HA   PRO   4           HA       PRO   4   2.489   1.424  -2.847
   19    HB2  PRO   4           1HB      PRO   4   4.461   3.066  -3.805
   20    HB3  PRO   4           2HB      PRO   4   3.601   1.893  -4.802
   21    HG2  PRO   4           1HG      PRO   4   3.115   4.835  -4.482
   22    HG3  PRO   4           2HG      PRO   4   3.170   3.847  -5.988
   23    HD2  PRO   4           1HD      PRO   4   0.841   4.631  -4.833
   24    HD3  PRO   4           2HD      PRO   4   1.016   3.085  -5.683
   25    H    VAL   5           H        VAL   5   4.162   1.762  -1.278
   26    HA   VAL   5           HA       VAL   5   4.091   4.314   0.160
   27    HB   VAL   5           HB       VAL   5   4.085   3.001   2.334
   28   HG11  VAL   5          1HG1      VAL   5   2.174   4.272   1.874
   29   HG12  VAL   5          2HG1      VAL   5   1.685   3.217   0.545
   30   HG13  VAL   5          3HG1      VAL   5   1.554   2.655   2.211
   31   HG21  VAL   5          3HG2      VAL   5   2.800   0.839   0.687
   32   HG22  VAL   5          1HG2      VAL   5   4.507   0.807   1.124
   33   HG23  VAL   5          2HG2      VAL   5   3.275   0.788   2.385
   34    HA   PRO   6           HA       PRO   6   8.448   3.782   0.400
   35    HB2  PRO   6           1HB      PRO   6   8.997   5.267   2.633
   36    HB3  PRO   6           2HB      PRO   6   8.540   5.973   1.085
   37    HG2  PRO   6           1HG      PRO   6   6.838   5.391   3.485
   38    HG3  PRO   6           2HG      PRO   6   6.891   6.872   2.457
   39    HD2  PRO   6           1HD      PRO   6   4.953   4.987   2.211
   40    HD3  PRO   6           2HD      PRO   6   5.573   5.908   0.830
   41    H    TYR   7           H        TYR   7   7.182   1.505   1.304
   42    HA   TYR   7           HA       TYR   7   9.072   0.270   2.885
   43    HB2  TYR   7           1HB      TYR   7   7.656  -0.004   5.021
   44    HB3  TYR   7           2HB      TYR   7   8.552   1.501   4.806
   45    HD1  TYR   7           1HD      TYR   7   5.166   0.036   4.288
   46    HD2  TYR   7           2HD      TYR   7   7.464   3.557   4.945
   47    HE1  TYR   7           1HE      TYR   7   3.094   1.331   4.563
   48    HE2  TYR   7           2HE      TYR   7   5.397   4.861   5.224
   49    HH   TYR   7           HH       TYR   7   2.242   3.456   4.612
   50    HA   PRO   8           HA       PRO   8   6.766  -3.210   1.521
   51    HB2  PRO   8           1HB      PRO   8   7.674  -5.125   3.256
   52    HB3  PRO   8           2HB      PRO   8   8.648  -4.458   1.946
   53    HG2  PRO   8           1HG      PRO   8   8.600  -3.711   4.850
   54    HG3  PRO   8           2HG      PRO   8  10.014  -3.985   3.766
   55    HD2  PRO   8           1HD      PRO   8   9.131  -1.503   4.423
   56    HD3  PRO   8           2HD      PRO   8   9.839  -1.880   2.844
   57    HA   PRO   9           HA       PRO   9   5.409  -4.608   0.992
   58    HB2  PRO   9           1HB      PRO   9   2.820  -4.223   0.182
   59    HB3  PRO   9           2HB      PRO   9   3.358  -5.639   1.085
   60    HG2  PRO   9           1HG      PRO   9   2.040  -3.135   2.081
   61    HG3  PRO   9           2HG      PRO   9   1.683  -4.853   2.494
   62    HD2  PRO   9           1HD      PRO   9   3.121  -3.224   4.120
   63    HD3  PRO   9           2HD      PRO   9   3.437  -4.963   3.985
   64    H    PHE  10           H        PHE  10   6.095  -3.397  -0.662
   65    HA   PHE  10           HA       PHE  10   6.134  -0.600  -0.576
   66    HB2  PHE  10           1HB      PHE  10   6.571  -2.521  -2.872
   67    HB3  PHE  10           2HB      PHE  10   6.863  -0.784  -2.988
   68    HD1  PHE  10           2HD      PHE  10   8.346   0.159  -0.945
   69    HD2  PHE  10           1HD      PHE  10   8.423  -3.817  -2.462
   70    HE1  PHE  10           2HE      PHE  10  10.617  -0.136  -0.045
   71    HE2  PHE  10           1HE      PHE  10  10.694  -4.119  -1.563
   72    HZ   PHE  10           HZ       PHE  10  11.794  -2.277  -0.354
   73    H    PHE  11           H        PHE  11   3.699  -2.760  -1.613
   74    HA   PHE  11           HA       PHE  11   2.254  -0.552  -2.925
   75    HB2  PHE  11           1HB      PHE  11   0.887  -2.500  -3.948
   76    HB3  PHE  11           2HB      PHE  11   2.491  -2.161  -4.599
   77    HD1  PHE  11           2HD      PHE  11   4.354  -3.658  -4.223
   78    HD2  PHE  11           1HD      PHE  11   0.492  -4.514  -2.653
   79    HE1  PHE  11           2HE      PHE  11   5.048  -5.978  -3.794
   80    HE2  PHE  11           1HE      PHE  11   1.180  -6.836  -2.219
   81    HZ   PHE  11           HZ       PHE  11   3.460  -7.572  -2.791
   82    H    ASP  12           H        ASP  12   0.553   0.202  -1.865
   83    HA   ASP  12           HA       ASP  12  -0.655  -1.475   0.228
   84    HB2  ASP  12           1HB      ASP  12   0.413   0.924   0.615
   85    HB3  ASP  12           2HB      ASP  12  -1.178   1.459   0.060
   86    H    CYS  13           H        CYS  13  -2.871  -1.735   0.351
   87    HA   CYS  13           HA       CYS  13  -4.662  -0.404  -1.449
   88    HB2  CYS  13           1HB      CYS  13  -3.572  -2.100  -2.916
   89    HB3  CYS  13           2HB      CYS  13  -4.230  -3.367  -1.866
   90    H    LYS  14           H        LYS  14  -6.513  -0.188  -0.393
   91    HA   LYS  14           HA       LYS  14  -7.194  -2.181   1.667
   92    HB2  LYS  14           1HB      LYS  14  -6.678   0.159   2.447
   93    HB3  LYS  14           2HB      LYS  14  -8.114   0.694   1.562
   94    HG2  LYS  14           1HG      LYS  14  -9.192  -1.293   3.032
   95    HG3  LYS  14           2HG      LYS  14  -7.896  -0.755   4.114
   96    HD2  LYS  14           1HD      LYS  14  -8.744   1.612   3.755
   97    HD3  LYS  14           2HD      LYS  14 -10.159   0.878   2.982
   98    HE2  LYS  14           1HE      LYS  14 -10.305  -0.542   5.165
   99    HE3  LYS  14           2HE      LYS  14  -9.282   0.733   5.840
  100    HZ1  LYS  14           3HZ      LYS  14 -10.930   2.278   5.685
  101    HZ2  LYS  14           1HZ      LYS  14 -11.879   0.897   5.923
  102    HZ3  LYS  14           2HZ      LYS  14 -11.686   1.532   4.368
  103    HA   PRO  15           HA       PRO  15 -10.431  -2.481  -1.644
  104    HB2  PRO  15           1HB      PRO  15 -10.511  -5.218  -1.651
  105    HB3  PRO  15           2HB      PRO  15  -9.372  -4.276  -2.610
  106    HG2  PRO  15           1HG      PRO  15  -8.978  -5.596   0.054
  107    HG3  PRO  15           2HG      PRO  15  -7.899  -5.600  -1.390
  108    HD2  PRO  15           1HD      PRO  15  -7.461  -4.004   0.764
  109    HD3  PRO  15           2HD      PRO  15  -7.062  -3.511  -0.890
  110    H    ASN  16           H        ASN  16 -12.605  -3.207  -1.444
  111    HA   ASN  16           HA       ASN  16 -13.423  -3.623   1.347
  112    HB2  ASN  16           1HB      ASN  16 -14.349  -1.615   0.352
  113    HB3  ASN  16           2HB      ASN  16 -14.960  -2.542  -1.024
  114   HD21  ASN  16          1HD2      ASN  16 -17.076  -2.651  -0.924
  115   HD22  ASN  16          2HD2      ASN  16 -18.014  -2.982   0.488
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -8.950   2.202  -4.414
    2    HA2  GLY   1           2HA      GLY   1  -7.863   3.980  -3.200
    3    HA3  GLY   1           3HA      GLY   1  -8.455   3.261  -1.710
    4    H    CYS   2           H        CYS   2  -6.261   2.682  -4.435
    5    HA   CYS   2           HA       CYS   2  -4.520   1.189  -2.584
    6    HB2  CYS   2           1HB      CYS   2  -5.173   0.668  -5.478
    7    HB3  CYS   2           2HB      CYS   2  -3.719   0.000  -4.716
    8    H    TRP   3           H        TRP   3  -2.369   1.671  -2.589
    9    HA   TRP   3           HA       TRP   3  -1.097   3.176  -4.644
   10    HB2  TRP   3           1HB      TRP   3  -0.737   5.260  -3.528
   11    HB3  TRP   3           2HB      TRP   3  -2.472   4.944  -3.500
   12    HD1  TRP   3           HD       TRP   3   0.435   5.560  -1.207
   13    HE1  TRP   3           1HE      TRP   3  -0.366   5.520   1.238
   14    HE3  TRP   3           3HE      TRP   3  -4.272   3.702  -1.928
   15    HZ2  TRP   3           2HZ      TRP   3  -2.688   4.795   2.672
   16    HZ3  TRP   3           3HZ      TRP   3  -5.720   3.365   0.034
   17    HH2  TRP   3           HH       TRP   3  -4.941   3.900   2.285
   18    HA   PRO   4           HA       PRO   4   2.434   1.361  -2.769
   19    HB2  PRO   4           1HB      PRO   4   4.402   3.051  -3.650
   20    HB3  PRO   4           2HB      PRO   4   3.571   1.896  -4.692
   21    HG2  PRO   4           1HG      PRO   4   3.046   4.822  -4.300
   22    HG3  PRO   4           2HG      PRO   4   3.136   3.876  -5.831
   23    HD2  PRO   4           1HD      PRO   4   0.781   4.602  -4.694
   24    HD3  PRO   4           2HD      PRO   4   0.987   3.081  -5.582
   25    H    VAL   5           H        VAL   5   4.148   1.724  -1.212
   26    HA   VAL   5           HA       VAL   5   3.959   4.211   0.326
   27    HB   VAL   5           HB       VAL   5   4.033   2.818   2.448
   28   HG11  VAL   5          1HG1      VAL   5   1.556   2.794   0.728
   29   HG12  VAL   5          2HG1      VAL   5   1.575   2.478   2.464
   30   HG13  VAL   5          3HG1      VAL   5   2.059   4.059   1.848
   31   HG21  VAL   5          3HG2      VAL   5   2.849   0.655   0.727
   32   HG22  VAL   5          1HG2      VAL   5   4.560   0.695   1.154
   33   HG23  VAL   5          2HG2      VAL   5   3.338   0.566   2.419
   34    HA   PRO   6           HA       PRO   6   8.338   3.886   0.523
   35    HB2  PRO   6           1HB      PRO   6   8.828   5.308   2.811
   36    HB3  PRO   6           2HB      PRO   6   8.328   6.051   1.292
   37    HG2  PRO   6           1HG      PRO   6   6.673   5.295   3.676
   38    HG3  PRO   6           2HG      PRO   6   6.646   6.813   2.707
   39    HD2  PRO   6           1HD      PRO   6   4.802   4.845   2.397
   40    HD3  PRO   6           2HD      PRO   6   5.365   5.849   1.051
   41    H    TYR   7           H        TYR   7   7.198   1.514   1.340
   42    HA   TYR   7           HA       TYR   7   9.157   0.315   2.862
   43    HB2  TYR   7           1HB      TYR   7   7.773  -0.111   4.995
   44    HB3  TYR   7           2HB      TYR   7   8.592   1.443   4.833
   45    HD1  TYR   7           2HD      TYR   7   5.278  -0.165   4.270
   46    HD2  TYR   7           1HD      TYR   7   7.405   3.434   5.069
   47    HE1  TYR   7           2HE      TYR   7   3.146   1.014   4.607
   48    HE2  TYR   7           1HE      TYR   7   5.278   4.621   5.409
   49    HH   TYR   7           HH       TYR   7   3.066   4.471   5.427
   50    HA   PRO   8           HA       PRO   8   7.013  -3.213   1.364
   51    HB2  PRO   8           1HB      PRO   8   8.049  -5.153   2.996
   52    HB3  PRO   8           2HB      PRO   8   8.964  -4.378   1.704
   53    HG2  PRO   8           1HG      PRO   8   8.927  -3.764   4.640
   54    HG3  PRO   8           2HG      PRO   8  10.335  -3.915   3.524
   55    HD2  PRO   8           1HD      PRO   8   9.335  -1.515   4.307
   56    HD3  PRO   8           2HD      PRO   8  10.034  -1.783   2.702
   57    HA   PRO   9           HA       PRO   9   5.723  -4.659   0.794
   58    HB2  PRO   9           1HB      PRO   9   3.104  -4.379   0.040
   59    HB3  PRO   9           2HB      PRO   9   3.731  -5.802   0.870
   60    HG2  PRO   9           1HG      PRO   9   2.301  -3.417   1.996
   61    HG3  PRO   9           2HG      PRO   9   2.040  -5.169   2.337
   62    HD2  PRO   9           1HD      PRO   9   3.418  -3.538   4.014
   63    HD3  PRO   9           2HD      PRO   9   3.823  -5.250   3.796
   64    H    PHE  10           H        PHE  10   6.310  -3.343  -0.819
   65    HA   PHE  10           HA       PHE  10   6.206  -0.555  -0.608
   66    HB2  PHE  10           1HB      PHE  10   6.699  -2.346  -2.997
   67    HB3  PHE  10           2HB      PHE  10   6.899  -0.594  -3.037
   68    HD1  PHE  10           1HD      PHE  10   8.159   0.011  -0.494
   69    HD2  PHE  10           2HD      PHE  10   8.833  -3.239  -3.159
   70    HE1  PHE  10           1HE      PHE  10  10.458  -0.206   0.357
   71    HE2  PHE  10           2HE      PHE  10  11.132  -3.461  -2.313
   72    HZ   PHE  10           HZ       PHE  10  11.948  -1.945  -0.552
   73    H    PHE  11           H        PHE  11   3.861  -2.789  -1.684
   74    HA   PHE  11           HA       PHE  11   2.300  -0.623  -2.929
   75    HB2  PHE  11           1HB      PHE  11   0.966  -2.597  -3.918
   76    HB3  PHE  11           2HB      PHE  11   2.559  -2.249  -4.594
   77    HD1  PHE  11           1HD      PHE  11   0.624  -4.589  -2.554
   78    HD2  PHE  11           2HD      PHE  11   4.426  -3.737  -4.269
   79    HE1  PHE  11           1HE      PHE  11   1.341  -6.898  -2.106
   80    HE2  PHE  11           2HE      PHE  11   5.148  -6.046  -3.823
   81    HZ   PHE  11           HZ       PHE  11   3.604  -7.631  -2.741
   82    H    ASP  12           H        ASP  12   0.585   0.073  -1.849
   83    HA   ASP  12           HA       ASP  12  -0.517  -1.635   0.281
   84    HB2  ASP  12           1HB      ASP  12   0.525   0.775   0.667
   85    HB3  ASP  12           2HB      ASP  12  -1.089   1.294   0.161
   86    H    CYS  13           H        CYS  13  -2.835  -1.502   0.663
   87    HA   CYS  13           HA       CYS  13  -4.512  -0.451  -1.442
   88    HB2  CYS  13           1HB      CYS  13  -3.885  -3.343  -1.167
   89    HB3  CYS  13           2HB      CYS  13  -5.566  -2.910  -1.519
   90    H    LYS  14           H        LYS  14  -6.654  -0.226  -0.833
   91    HA   LYS  14           HA       LYS  14  -7.505  -1.319   1.735
   92    HB2  LYS  14           1HB      LYS  14  -6.403   0.942   2.095
   93    HB3  LYS  14           2HB      LYS  14  -7.750   1.636   1.180
   94    HG2  LYS  14           1HG      LYS  14  -9.234   1.372   2.864
   95    HG3  LYS  14           2HG      LYS  14  -8.485  -0.136   3.419
   96    HD2  LYS  14           1HD      LYS  14  -6.513   1.665   3.973
   97    HD3  LYS  14           2HD      LYS  14  -7.970   2.639   4.236
   98    HE2  LYS  14           1HE      LYS  14  -8.707   0.384   5.517
   99    HE3  LYS  14           2HE      LYS  14  -6.951   0.304   5.736
  100    HZ1  LYS  14           3HZ      LYS  14  -8.436   1.576   7.434
  101    HZ2  LYS  14           1HZ      LYS  14  -8.328   2.833   6.306
  102    HZ3  LYS  14           2HZ      LYS  14  -6.923   2.195   6.998
  103    HA   PRO  15           HA       PRO  15 -10.769  -1.260  -1.588
  104    HB2  PRO  15           1HB      PRO  15 -11.431  -3.906  -1.341
  105    HB3  PRO  15           2HB      PRO  15 -10.137  -3.320  -2.385
  106    HG2  PRO  15           1HG      PRO  15  -9.978  -4.446   0.390
  107    HG3  PRO  15           2HG      PRO  15  -8.954  -4.811  -1.049
  108    HD2  PRO  15           1HD      PRO  15  -8.142  -3.159   0.946
  109    HD3  PRO  15           2HD      PRO  15  -7.682  -2.913  -0.748
  110    H    ASN  16           H        ASN  16 -12.903  -0.954  -1.185
  111    HA   ASN  16           HA       ASN  16 -14.103  -2.009   1.245
  112    HB2  ASN  16           1HB      ASN  16 -13.063   0.221   1.816
  113    HB3  ASN  16           2HB      ASN  16 -14.194   0.957   0.674
  114   HD21  ASN  16          1HD2      ASN  16 -15.886   1.821   1.605
  115   HD22  ASN  16          2HD2      ASN  16 -16.677   1.247   3.029
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -9.876   2.117  -2.281
    2    HA2  GLY   1           2HA      GLY   1  -8.395   2.858  -3.873
    3    HA3  GLY   1           3HA      GLY   1  -7.859   4.051  -2.700
    4    H    CYS   2           H        CYS   2  -6.211   2.647  -4.576
    5    HA   CYS   2           HA       CYS   2  -4.496   1.158  -2.699
    6    HB2  CYS   2           1HB      CYS   2  -5.111   0.620  -5.598
    7    HB3  CYS   2           2HB      CYS   2  -3.667  -0.041  -4.813
    8    H    TRP   3           H        TRP   3  -2.346   1.645  -2.680
    9    HA   TRP   3           HA       TRP   3  -1.052   3.142  -4.728
   10    HB2  TRP   3           1HB      TRP   3  -0.710   5.232  -3.618
   11    HB3  TRP   3           2HB      TRP   3  -2.444   4.912  -3.610
   12    HD1  TRP   3           HD       TRP   3   0.433   5.546  -1.285
   13    HE1  TRP   3           1HE      TRP   3  -0.399   5.517   1.151
   14    HE3  TRP   3           3HE      TRP   3  -4.262   3.676  -2.053
   15    HZ2  TRP   3           2HZ      TRP   3  -2.736   4.796   2.560
   16    HZ3  TRP   3           3HZ      TRP   3  -5.734   3.347  -0.109
   17    HH2  TRP   3           HH       TRP   3  -4.984   3.895   2.149
   18    HA   PRO   4           HA       PRO   4   2.459   1.344  -2.799
   19    HB2  PRO   4           1HB      PRO   4   4.434   3.032  -3.666
   20    HB3  PRO   4           2HB      PRO   4   3.619   1.869  -4.712
   21    HG2  PRO   4           1HG      PRO   4   3.081   4.797  -4.340
   22    HG3  PRO   4           2HG      PRO   4   3.194   3.843  -5.867
   23    HD2  PRO   4           1HD      PRO   4   0.822   4.570  -4.763
   24    HD3  PRO   4           2HD      PRO   4   1.043   3.045  -5.639
   25    H    VAL   5           H        VAL   5   4.153   1.717  -1.223
   26    HA   VAL   5           HA       VAL   5   3.942   4.213   0.298
   27    HB   VAL   5           HB       VAL   5   3.990   2.832   2.429
   28   HG11  VAL   5          1HG1      VAL   5   2.017   4.016   1.983
   29   HG12  VAL   5          2HG1      VAL   5   1.590   2.966   0.631
   30   HG13  VAL   5          3HG1      VAL   5   1.485   2.361   2.284
   31   HG21  VAL   5          3HG2      VAL   5   4.537   0.702   1.153
   32   HG22  VAL   5          1HG2      VAL   5   3.300   0.580   2.403
   33   HG23  VAL   5          2HG2      VAL   5   2.832   0.658   0.705
   34    HA   PRO   6           HA       PRO   6   8.318   3.898   0.550
   35    HB2  PRO   6           1HB      PRO   6   8.778   5.335   2.836
   36    HB3  PRO   6           2HB      PRO   6   8.294   6.066   1.308
   37    HG2  PRO   6           1HG      PRO   6   6.612   5.318   3.675
   38    HG3  PRO   6           2HG      PRO   6   6.594   6.833   2.697
   39    HD2  PRO   6           1HD      PRO   6   4.756   4.862   2.376
   40    HD3  PRO   6           2HD      PRO   6   5.336   5.858   1.031
   41    H    TYR   7           H        TYR   7   7.172   1.529   1.368
   42    HA   TYR   7           HA       TYR   7   9.114   0.341   2.919
   43    HB2  TYR   7           1HB      TYR   7   7.705  -0.077   5.036
   44    HB3  TYR   7           2HB      TYR   7   8.523   1.479   4.878
   45    HD1  TYR   7           2HD      TYR   7   5.220  -0.138   4.283
   46    HD2  TYR   7           1HD      TYR   7   7.329   3.468   5.088
   47    HE1  TYR   7           2HE      TYR   7   3.081   1.038   4.587
   48    HE2  TYR   7           1HE      TYR   7   5.196   4.655   5.395
   49    HH   TYR   7           HH       TYR   7   2.105   2.938   5.266
   50    HA   PRO   8           HA       PRO   8   6.995  -3.200   1.416
   51    HB2  PRO   8           1HB      PRO   8   8.014  -5.128   3.070
   52    HB3  PRO   8           2HB      PRO   8   8.944  -4.359   1.786
   53    HG2  PRO   8           1HG      PRO   8   8.870  -3.729   4.718
   54    HG3  PRO   8           2HG      PRO   8  10.292  -3.883   3.620
   55    HD2  PRO   8           1HD      PRO   8   9.277  -1.480   4.376
   56    HD3  PRO   8           2HD      PRO   8   9.998  -1.756   2.782
   57    HA   PRO   9           HA       PRO   9   5.715  -4.652   0.837
   58    HB2  PRO   9           1HB      PRO   9   3.106  -4.379   0.048
   59    HB3  PRO   9           2HB      PRO   9   3.724  -5.797   0.895
   60    HG2  PRO   9           1HG      PRO   9   2.277  -3.409   1.990
   61    HG3  PRO   9           2HG      PRO   9   2.015  -5.160   2.338
   62    HD2  PRO   9           1HD      PRO   9   3.367  -3.517   4.022
   63    HD3  PRO   9           2HD      PRO   9   3.780  -5.228   3.819
   64    H    PHE  10           H        PHE  10   6.320  -3.343  -0.775
   65    HA   PHE  10           HA       PHE  10   6.207  -0.554  -0.581
   66    HB2  PHE  10           1HB      PHE  10   6.733  -2.356  -2.955
   67    HB3  PHE  10           2HB      PHE  10   6.931  -0.604  -3.001
   68    HD1  PHE  10           1HD      PHE  10   8.276   0.214  -0.704
   69    HD2  PHE  10           2HD      PHE  10   8.753  -3.444  -2.827
   70    HE1  PHE  10           1HE      PHE  10  10.565   0.005   0.175
   71    HE2  PHE  10           2HE      PHE  10  11.042  -3.659  -1.950
   72    HZ   PHE  10           HZ       PHE  10  11.950  -1.933  -0.447
   73    H    PHE  11           H        PHE  11   3.880  -2.798  -1.674
   74    HA   PHE  11           HA       PHE  11   2.331  -0.642  -2.950
   75    HB2  PHE  11           1HB      PHE  11   1.013  -2.623  -3.945
   76    HB3  PHE  11           2HB      PHE  11   2.613  -2.277  -4.603
   77    HD1  PHE  11           2HD      PHE  11   4.527  -3.713  -4.097
   78    HD2  PHE  11           1HD      PHE  11   0.610  -4.653  -2.723
   79    HE1  PHE  11           2HE      PHE  11   5.248  -6.019  -3.630
   80    HE2  PHE  11           1HE      PHE  11   1.324  -6.960  -2.253
   81    HZ   PHE  11           HZ       PHE  11   3.645  -7.646  -2.707
   82    H    ASP  12           H        ASP  12   0.601   0.056  -1.896
   83    HA   ASP  12           HA       ASP  12  -0.524  -1.641   0.230
   84    HB2  ASP  12           1HB      ASP  12   0.508   0.774   0.616
   85    HB3  ASP  12           2HB      ASP  12  -1.100   1.285   0.087
   86    H    CYS  13           H        CYS  13  -2.848  -1.512   0.583
   87    HA   CYS  13           HA       CYS  13  -4.500  -0.476  -1.549
   88    HB2  CYS  13           1HB      CYS  13  -3.872  -3.366  -1.250
   89    HB3  CYS  13           2HB      CYS  13  -5.549  -2.937  -1.625
   90    H    LYS  14           H        LYS  14  -6.615  -0.178  -0.938
   91    HA   LYS  14           HA       LYS  14  -7.481  -1.259   1.641
   92    HB2  LYS  14           1HB      LYS  14  -6.478   0.983   2.044
   93    HB3  LYS  14           2HB      LYS  14  -7.671   1.676   0.934
   94    HG2  LYS  14           1HG      LYS  14  -9.438   0.631   2.480
   95    HG3  LYS  14           2HG      LYS  14  -8.108   0.476   3.642
   96    HD2  LYS  14           1HD      LYS  14  -7.896   2.743   3.934
   97    HD3  LYS  14           2HD      LYS  14  -8.517   3.110   2.316
   98    HE2  LYS  14           1HE      LYS  14 -10.161   3.816   3.916
   99    HE3  LYS  14           2HE      LYS  14 -10.773   2.382   3.079
  100    HZ1  LYS  14           3HZ      LYS  14  -9.414   1.417   5.267
  101    HZ2  LYS  14           1HZ      LYS  14 -11.093   1.500   5.072
  102    HZ3  LYS  14           2HZ      LYS  14 -10.269   2.756   5.849
  103    HA   PRO  15           HA       PRO  15 -10.729  -1.445  -1.684
  104    HB2  PRO  15           1HB      PRO  15 -11.354  -4.080  -1.272
  105    HB3  PRO  15           2HB      PRO  15 -10.060  -3.542  -2.341
  106    HG2  PRO  15           1HG      PRO  15  -9.909  -4.484   0.502
  107    HG3  PRO  15           2HG      PRO  15  -8.867  -4.926  -0.903
  108    HD2  PRO  15           1HD      PRO  15  -8.097  -3.138   0.988
  109    HD3  PRO  15           2HD      PRO  15  -7.626  -2.993  -0.714
  110    H    ASN  16           H        ASN  16 -12.763  -0.882  -1.215
  111    HA   ASN  16           HA       ASN  16 -13.978  -1.846   1.275
  112    HB2  ASN  16           1HB      ASN  16 -14.909   0.406   1.712
  113    HB3  ASN  16           2HB      ASN  16 -13.143   0.379   1.786
  114   HD21  ASN  16          1HD2      ASN  16 -15.862   1.780   0.343
  115   HD22  ASN  16          2HD2      ASN  16 -15.042   2.768  -0.812
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.630   4.881  -2.774
    2    HA2  GLY   1           2HA      GLY   1  -8.690   2.741  -1.809
    3    HA3  GLY   1           3HA      GLY   1  -8.698   2.359  -3.524
    4    H    CYS   2           H        CYS   2  -6.312   2.519  -4.460
    5    HA   CYS   2           HA       CYS   2  -4.556   1.040  -2.612
    6    HB2  CYS   2           1HB      CYS   2  -5.187   0.521  -5.511
    7    HB3  CYS   2           2HB      CYS   2  -3.724  -0.124  -4.745
    8    H    TRP   3           H        TRP   3  -2.414   1.562  -2.606
    9    HA   TRP   3           HA       TRP   3  -1.163   3.102  -4.649
   10    HB2  TRP   3           1HB      TRP   3  -0.844   5.186  -3.520
   11    HB3  TRP   3           2HB      TRP   3  -2.574   4.837  -3.502
   12    HD1  TRP   3           HD       TRP   3   0.313   5.495  -1.194
   13    HE1  TRP   3           1HE      TRP   3  -0.498   5.428   1.248
   14    HE3  TRP   3           3HE      TRP   3  -4.357   3.554  -1.942
   15    HZ2  TRP   3           2HZ      TRP   3  -2.810   4.653   2.669
   16    HZ3  TRP   3           3HZ      TRP   3  -5.806   3.180   0.011
   17    HH2  TRP   3           HH       TRP   3  -5.046   3.718   2.269
   18    HA   PRO   4           HA       PRO   4   2.396   1.342  -2.769
   19    HB2  PRO   4           1HB      PRO   4   4.334   3.072  -3.637
   20    HB3  PRO   4           2HB      PRO   4   3.529   1.908  -4.686
   21    HG2  PRO   4           1HG      PRO   4   2.948   4.823  -4.281
   22    HG3  PRO   4           2HG      PRO   4   3.062   3.885  -5.816
   23    HD2  PRO   4           1HD      PRO   4   0.689   4.561  -4.684
   24    HD3  PRO   4           2HD      PRO   4   0.926   3.050  -5.579
   25    H    VAL   5           H        VAL   5   4.098   1.730  -1.204
   26    HA   VAL   5           HA       VAL   5   3.857   4.204   0.345
   27    HB   VAL   5           HB       VAL   5   3.948   2.802   2.461
   28   HG11  VAL   5          1HG1      VAL   5   1.395   2.166   2.117
   29   HG12  VAL   5          2HG1      VAL   5   1.929   3.841   2.265
   30   HG13  VAL   5          3HG1      VAL   5   1.604   3.155   0.673
   31   HG21  VAL   5          3HG2      VAL   5   4.519   0.695   1.157
   32   HG22  VAL   5          1HG2      VAL   5   3.295   0.539   2.417
   33   HG23  VAL   5          2HG2      VAL   5   2.810   0.626   0.724
   34    HA   PRO   6           HA       PRO   6   8.239   3.959   0.556
   35    HB2  PRO   6           1HB      PRO   6   8.696   5.381   2.852
   36    HB3  PRO   6           2HB      PRO   6   8.186   6.120   1.336
   37    HG2  PRO   6           1HG      PRO   6   6.538   5.320   3.711
   38    HG3  PRO   6           2HG      PRO   6   6.487   6.843   2.749
   39    HD2  PRO   6           1HD      PRO   6   4.680   4.843   2.423
   40    HD3  PRO   6           2HD      PRO   6   5.229   5.865   1.083
   41    H    TYR   7           H        TYR   7   7.141   1.564   1.359
   42    HA   TYR   7           HA       TYR   7   9.116   0.393   2.881
   43    HB2  TYR   7           1HB      TYR   7   7.733  -0.071   5.006
   44    HB3  TYR   7           2HB      TYR   7   8.522   1.500   4.856
   45    HD1  TYR   7           2HD      TYR   7   5.241  -0.165   4.274
   46    HD2  TYR   7           1HD      TYR   7   7.297   3.467   5.097
   47    HE1  TYR   7           2HE      TYR   7   3.087   0.972   4.607
   48    HE2  TYR   7           1HE      TYR   7   5.148   4.614   5.434
   49    HH   TYR   7           HH       TYR   7   2.069   2.861   5.166
   50    HA   PRO   8           HA       PRO   8   7.042  -3.167   1.359
   51    HB2  PRO   8           1HB      PRO   8   8.109  -5.096   2.983
   52    HB3  PRO   8           2HB      PRO   8   9.014  -4.297   1.699
   53    HG2  PRO   8           1HG      PRO   8   8.953  -3.699   4.638
   54    HG3  PRO   8           2HG      PRO   8  10.370  -3.818   3.527
   55    HD2  PRO   8           1HD      PRO   8   9.321  -1.440   4.317
   56    HD3  PRO   8           2HD      PRO   8  10.033  -1.688   2.714
   57    HA   PRO   9           HA       PRO   9   5.782  -4.633   0.776
   58    HB2  PRO   9           1HB      PRO   9   3.162  -4.398   0.012
   59    HB3  PRO   9           2HB      PRO   9   3.811  -5.814   0.839
   60    HG2  PRO   9           1HG      PRO   9   2.333  -3.461   1.971
   61    HG3  PRO   9           2HG      PRO   9   2.104  -5.220   2.303
   62    HD2  PRO   9           1HD      PRO   9   3.445  -3.573   3.993
   63    HD3  PRO   9           2HD      PRO   9   3.882  -5.275   3.768
   64    H    PHE  10           H        PHE  10   6.351  -3.299  -0.828
   65    HA   PHE  10           HA       PHE  10   6.193  -0.515  -0.604
   66    HB2  PHE  10           1HB      PHE  10   6.729  -2.283  -3.000
   67    HB3  PHE  10           2HB      PHE  10   6.896  -0.528  -3.030
   68    HD1  PHE  10           1HD      PHE  10   8.285  -3.635  -1.666
   69    HD2  PHE  10           2HD      PHE  10   8.730   0.587  -1.970
   70    HE1  PHE  10           1HE      PHE  10  10.584  -3.819  -0.809
   71    HE2  PHE  10           2HE      PHE  10  11.030   0.411  -1.115
   72    HZ   PHE  10           HZ       PHE  10  11.961  -1.795  -0.534
   73    H    PHE  11           H        PHE  11   3.894  -2.785  -1.700
   74    HA   PHE  11           HA       PHE  11   2.298  -0.643  -2.940
   75    HB2  PHE  11           1HB      PHE  11   1.006  -2.636  -3.945
   76    HB3  PHE  11           2HB      PHE  11   2.594  -2.255  -4.612
   77    HD1  PHE  11           1HD      PHE  11   0.697  -4.639  -2.587
   78    HD2  PHE  11           2HD      PHE  11   4.485  -3.711  -4.292
   79    HE1  PHE  11           1HE      PHE  11   1.455  -6.938  -2.147
   80    HE2  PHE  11           2HE      PHE  11   5.248  -6.009  -3.855
   81    HZ   PHE  11           HZ       PHE  11   3.732  -7.626  -2.781
   82    H    ASP  12           H        ASP  12   0.567   0.015  -1.864
   83    HA   ASP  12           HA       ASP  12  -0.512  -1.723   0.254
   84    HB2  ASP  12           1HB      ASP  12   0.485   0.705   0.656
   85    HB3  ASP  12           2HB      ASP  12  -1.136   1.195   0.146
   86    H    CYS  13           H        CYS  13  -2.833  -1.634   0.629
   87    HA   CYS  13           HA       CYS  13  -4.521  -0.604  -1.478
   88    HB2  CYS  13           1HB      CYS  13  -3.843  -3.486  -1.214
   89    HB3  CYS  13           2HB      CYS  13  -5.530  -3.081  -1.570
   90    H    LYS  14           H        LYS  14  -6.649  -0.377  -0.858
   91    HA   LYS  14           HA       LYS  14  -7.522  -1.534   1.669
   92    HB2  LYS  14           1HB      LYS  14  -6.386   0.735   2.059
   93    HB3  LYS  14           2HB      LYS  14  -7.791   1.434   1.238
   94    HG2  LYS  14           1HG      LYS  14  -9.278   0.443   2.915
   95    HG3  LYS  14           2HG      LYS  14  -7.865  -0.237   3.744
   96    HD2  LYS  14           1HD      LYS  14  -8.423   1.748   4.917
   97    HD3  LYS  14           2HD      LYS  14  -6.991   2.125   3.945
   98    HE2  LYS  14           1HE      LYS  14  -8.478   3.102   2.200
   99    HE3  LYS  14           2HE      LYS  14  -9.849   2.820   3.282
  100    HZ1  LYS  14           3HZ      LYS  14  -8.138   4.163   4.870
  101    HZ2  LYS  14           1HZ      LYS  14  -9.408   4.871   4.006
  102    HZ3  LYS  14           2HZ      LYS  14  -7.841   4.884   3.369
  103    HA   PRO  15           HA       PRO  15 -10.774  -1.348  -1.653
  104    HB2  PRO  15           1HB      PRO  15 -11.502  -3.980  -1.436
  105    HB3  PRO  15           2HB      PRO  15 -10.186  -3.416  -2.465
  106    HG2  PRO  15           1HG      PRO  15 -10.073  -4.571   0.299
  107    HG3  PRO  15           2HG      PRO  15  -9.049  -4.948  -1.136
  108    HD2  PRO  15           1HD      PRO  15  -8.211  -3.335   0.880
  109    HD3  PRO  15           2HD      PRO  15  -7.733  -3.084  -0.807
  110    H    ASN  16           H        ASN  16 -13.021  -1.368  -1.373
  111    HA   ASN  16           HA       ASN  16 -14.044  -2.050   1.285
  112    HB2  ASN  16           1HB      ASN  16 -13.450   0.417   1.144
  113    HB3  ASN  16           2HB      ASN  16 -14.738   0.563  -0.057
  114   HD21  ASN  16          1HD2      ASN  16 -14.053  -0.305   3.273
  115   HD22  ASN  16          2HD2      ASN  16 -15.639   0.021   3.879
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -7.162   4.288  -3.873
    2    HA2  GLY   1           2HA      GLY   1  -8.564   3.004  -1.726
    3    HA3  GLY   1           3HA      GLY   1  -8.834   2.204  -3.268
    4    H    CYS   2           H        CYS   2  -6.302   2.570  -4.417
    5    HA   CYS   2           HA       CYS   2  -4.561   1.063  -2.580
    6    HB2  CYS   2           1HB      CYS   2  -5.194   0.542  -5.479
    7    HB3  CYS   2           2HB      CYS   2  -3.734  -0.106  -4.713
    8    H    TRP   3           H        TRP   3  -2.417   1.580  -2.580
    9    HA   TRP   3           HA       TRP   3  -1.168   3.116  -4.627
   10    HB2  TRP   3           1HB      TRP   3  -0.842   5.199  -3.499
   11    HB3  TRP   3           2HB      TRP   3  -2.571   4.855  -3.474
   12    HD1  TRP   3           HD       TRP   3   0.324   5.505  -1.175
   13    HE1  TRP   3           1HE      TRP   3  -0.480   5.437   1.271
   14    HE3  TRP   3           3HE      TRP   3  -4.351   3.573  -1.910
   15    HZ2  TRP   3           2HZ      TRP   3  -2.789   4.665   2.698
   16    HZ3  TRP   3           3HZ      TRP   3  -5.794   3.199   0.047
   17    HH2  TRP   3           HH       TRP   3  -5.027   3.734   2.303
   18    HA   PRO   4           HA       PRO   4   2.392   1.347  -2.761
   19    HB2  PRO   4           1HB      PRO   4   4.333   3.075  -3.631
   20    HB3  PRO   4           2HB      PRO   4   3.521   1.913  -4.680
   21    HG2  PRO   4           1HG      PRO   4   2.947   4.829  -4.270
   22    HG3  PRO   4           2HG      PRO   4   3.054   3.893  -5.806
   23    HD2  PRO   4           1HD      PRO   4   0.685   4.571  -4.666
   24    HD3  PRO   4           2HD      PRO   4   0.919   3.062  -5.564
   25    H    VAL   5           H        VAL   5   4.108   1.735  -1.207
   26    HA   VAL   5           HA       VAL   5   3.874   4.206   0.349
   27    HB   VAL   5           HB       VAL   5   3.971   2.800   2.463
   28   HG11  VAL   5          1HG1      VAL   5   1.600   3.102   0.683
   29   HG12  VAL   5          2HG1      VAL   5   1.428   2.206   2.193
   30   HG13  VAL   5          3HG1      VAL   5   1.964   3.885   2.220
   31   HG21  VAL   5          3HG2      VAL   5   3.319   0.539   2.419
   32   HG22  VAL   5          1HG2      VAL   5   2.810   0.633   0.733
   33   HG23  VAL   5          2HG2      VAL   5   4.526   0.693   1.142
   34    HA   PRO   6           HA       PRO   6   8.259   3.951   0.545
   35    HB2  PRO   6           1HB      PRO   6   8.727   5.368   2.840
   36    HB3  PRO   6           2HB      PRO   6   8.213   6.111   1.326
   37    HG2  PRO   6           1HG      PRO   6   6.570   5.312   3.705
   38    HG3  PRO   6           2HG      PRO   6   6.519   6.838   2.744
   39    HD2  PRO   6           1HD      PRO   6   4.707   4.842   2.423
   40    HD3  PRO   6           2HD      PRO   6   5.254   5.863   1.083
   41    H    TYR   7           H        TYR   7   7.155   1.558   1.350
   42    HA   TYR   7           HA       TYR   7   9.132   0.381   2.865
   43    HB2  TYR   7           1HB      TYR   7   7.757  -0.080   4.996
   44    HB3  TYR   7           2HB      TYR   7   8.549   1.489   4.842
   45    HD1  TYR   7           1HD      TYR   7   5.262  -0.170   4.271
   46    HD2  TYR   7           2HD      TYR   7   7.329   3.459   5.084
   47    HE1  TYR   7           1HE      TYR   7   3.110   0.971   4.614
   48    HE2  TYR   7           2HE      TYR   7   5.183   4.610   5.431
   49    HH   TYR   7           HH       TYR   7   2.687   3.667   6.172
   50    HA   PRO   8           HA       PRO   8   7.045  -3.174   1.347
   51    HB2  PRO   8           1HB      PRO   8   8.113  -5.105   2.968
   52    HB3  PRO   8           2HB      PRO   8   9.015  -4.308   1.680
   53    HG2  PRO   8           1HG      PRO   8   8.967  -3.712   4.618
   54    HG3  PRO   8           2HG      PRO   8  10.379  -3.833   3.503
   55    HD2  PRO   8           1HD      PRO   8   9.340  -1.455   4.300
   56    HD3  PRO   8           2HD      PRO   8  10.044  -1.702   2.692
   57    HA   PRO   9           HA       PRO   9   5.779  -4.638   0.768
   58    HB2  PRO   9           1HB      PRO   9   3.157  -4.396   0.014
   59    HB3  PRO   9           2HB      PRO   9   3.806  -5.812   0.838
   60    HG2  PRO   9           1HG      PRO   9   2.336  -3.458   1.976
   61    HG3  PRO   9           2HG      PRO   9   2.106  -5.215   2.309
   62    HD2  PRO   9           1HD      PRO   9   3.457  -3.571   3.994
   63    HD3  PRO   9           2HD      PRO   9   3.890  -5.275   3.767
   64    H    PHE  10           H        PHE  10   6.345  -3.303  -0.837
   65    HA   PHE  10           HA       PHE  10   6.195  -0.518  -0.610
   66    HB2  PHE  10           1HB      PHE  10   6.718  -2.288  -3.009
   67    HB3  PHE  10           2HB      PHE  10   6.889  -0.532  -3.040
   68    HD1  PHE  10           1HD      PHE  10   8.299   0.354  -0.870
   69    HD2  PHE  10           2HD      PHE  10   8.705  -3.418  -2.799
   70    HE1  PHE  10           1HE      PHE  10  10.602   0.172  -0.021
   71    HE2  PHE  10           2HE      PHE  10  11.008  -3.607  -1.953
   72    HZ   PHE  10           HZ       PHE  10  11.959  -1.811  -0.561
   73    H    PHE  11           H        PHE  11   3.887  -2.783  -1.699
   74    HA   PHE  11           HA       PHE  11   2.291  -0.637  -2.932
   75    HB2  PHE  11           1HB      PHE  11   0.989  -2.627  -3.932
   76    HB3  PHE  11           2HB      PHE  11   2.576  -2.249  -4.607
   77    HD1  PHE  11           2HD      PHE  11   4.483  -3.694  -4.245
   78    HD2  PHE  11           1HD      PHE  11   0.665  -4.645  -2.624
   79    HE1  PHE  11           2HE      PHE  11   5.243  -5.993  -3.813
   80    HE2  PHE  11           1HE      PHE  11   1.419  -6.945  -2.188
   81    HZ   PHE  11           HZ       PHE  11   3.711  -7.623  -2.783
   82    H    ASP  12           H        ASP  12   0.565   0.025  -1.850
   83    HA   ASP  12           HA       ASP  12  -0.510  -1.712   0.270
   84    HB2  ASP  12           1HB      ASP  12   0.493   0.712   0.671
   85    HB3  ASP  12           2HB      ASP  12  -1.129   1.207   0.168
   86    H    CYS  13           H        CYS  13  -2.831  -1.613   0.657
   87    HA   CYS  13           HA       CYS  13  -4.522  -0.582  -1.447
   88    HB2  CYS  13           1HB      CYS  13  -3.853  -3.465  -1.181
   89    HB3  CYS  13           2HB      CYS  13  -5.541  -3.056  -1.530
   90    H    LYS  14           H        LYS  14  -6.687  -0.436  -0.854
   91    HA   LYS  14           HA       LYS  14  -7.559  -1.573   1.670
   92    HB2  LYS  14           1HB      LYS  14  -6.398   0.606   2.199
   93    HB3  LYS  14           2HB      LYS  14  -7.669   1.418   1.271
   94    HG2  LYS  14           1HG      LYS  14  -9.273   0.105   2.878
   95    HG3  LYS  14           2HG      LYS  14  -7.833   0.052   3.911
   96    HD2  LYS  14           1HD      LYS  14  -7.693   2.607   3.423
   97    HD3  LYS  14           2HD      LYS  14  -9.397   2.425   2.970
   98    HE2  LYS  14           1HE      LYS  14  -9.469   1.121   5.305
   99    HE3  LYS  14           2HE      LYS  14  -8.103   2.199   5.629
  100    HZ1  LYS  14           3HZ      LYS  14 -10.294   3.113   6.288
  101    HZ2  LYS  14           1HZ      LYS  14 -10.744   3.139   4.657
  102    HZ3  LYS  14           2HZ      LYS  14  -9.456   4.094   5.194
  103    HA   PRO  15           HA       PRO  15 -10.799  -1.236  -1.655
  104    HB2  PRO  15           1HB      PRO  15 -11.562  -3.863  -1.529
  105    HB3  PRO  15           2HB      PRO  15 -10.239  -3.281  -2.538
  106    HG2  PRO  15           1HG      PRO  15 -10.145  -4.533   0.186
  107    HG3  PRO  15           2HG      PRO  15  -9.124  -4.874  -1.262
  108    HD2  PRO  15           1HD      PRO  15  -8.265  -3.343   0.809
  109    HD3  PRO  15           2HD      PRO  15  -7.783  -3.041  -0.868
  110    H    ASN  16           H        ASN  16 -12.816  -0.647  -1.138
  111    HA   ASN  16           HA       ASN  16 -13.732  -0.696   1.536
  112    HB2  ASN  16           1HB      ASN  16 -15.122  -0.058  -1.076
  113    HB3  ASN  16           2HB      ASN  16 -15.905   0.105   0.502
  114   HD21  ASN  16          1HD2      ASN  16 -15.285   2.141  -1.484
  115   HD22  ASN  16          2HD2      ASN  16 -14.302   3.312  -0.680
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -7.114   4.371  -3.704
    2    HA2  GLY   1           2HA      GLY   1  -8.568   2.968  -1.712
    3    HA3  GLY   1           3HA      GLY   1  -8.807   2.210  -3.280
    4    H    CYS   2           H        CYS   2  -6.326   2.510  -4.432
    5    HA   CYS   2           HA       CYS   2  -4.561   1.033  -2.591
    6    HB2  CYS   2           1HB      CYS   2  -5.198   0.523  -5.491
    7    HB3  CYS   2           2HB      CYS   2  -3.732  -0.122  -4.730
    8    H    TRP   3           H        TRP   3  -2.420   1.559  -2.588
    9    HA   TRP   3           HA       TRP   3  -1.175   3.106  -4.628
   10    HB2  TRP   3           1HB      TRP   3  -0.859   5.187  -3.494
   11    HB3  TRP   3           2HB      TRP   3  -2.587   4.836  -3.473
   12    HD1  TRP   3           HD       TRP   3   0.304   5.491  -1.169
   13    HE1  TRP   3           1HE      TRP   3  -0.501   5.415   1.275
   14    HE3  TRP   3           3HE      TRP   3  -4.365   3.547  -1.914
   15    HZ2  TRP   3           2HZ      TRP   3  -2.811   4.634   2.698
   16    HZ3  TRP   3           3HZ      TRP   3  -5.809   3.164   0.042
   17    HH2  TRP   3           HH       TRP   3  -5.046   3.696   2.299
   18    HA   PRO   4           HA       PRO   4   2.389   1.347  -2.761
   19    HB2  PRO   4           1HB      PRO   4   4.323   3.083  -3.627
   20    HB3  PRO   4           2HB      PRO   4   3.518   1.919  -4.678
   21    HG2  PRO   4           1HG      PRO   4   2.935   4.832  -4.264
   22    HG3  PRO   4           2HG      PRO   4   3.046   3.899  -5.802
   23    HD2  PRO   4           1HD      PRO   4   0.674   4.569  -4.664
   24    HD3  PRO   4           2HD      PRO   4   0.912   3.060  -5.563
   25    H    VAL   5           H        VAL   5   4.094   1.732  -1.199
   26    HA   VAL   5           HA       VAL   5   3.853   4.202   0.358
   27    HB   VAL   5           HB       VAL   5   3.951   2.794   2.469
   28   HG11  VAL   5          1HG1      VAL   5   1.471   2.711   0.756
   29   HG12  VAL   5          2HG1      VAL   5   1.508   2.425   2.497
   30   HG13  VAL   5          3HG1      VAL   5   1.954   4.005   1.852
   31   HG21  VAL   5          3HG2      VAL   5   4.521   0.692   1.159
   32   HG22  VAL   5          1HG2      VAL   5   3.299   0.530   2.420
   33   HG23  VAL   5          2HG2      VAL   5   2.812   0.623   0.727
   34    HA   PRO   6           HA       PRO   6   8.238   3.963   0.559
   35    HB2  PRO   6           1HB      PRO   6   8.695   5.379   2.860
   36    HB3  PRO   6           2HB      PRO   6   8.182   6.121   1.346
   37    HG2  PRO   6           1HG      PRO   6   6.539   5.312   3.721
   38    HG3  PRO   6           2HG      PRO   6   6.484   6.839   2.764
   39    HD2  PRO   6           1HD      PRO   6   4.679   4.836   2.435
   40    HD3  PRO   6           2HD      PRO   6   5.225   5.862   1.098
   41    H    TYR   7           H        TYR   7   7.144   1.563   1.357
   42    HA   TYR   7           HA       TYR   7   9.123   0.391   2.872
   43    HB2  TYR   7           1HB      TYR   7   7.746  -0.080   4.999
   44    HB3  TYR   7           2HB      TYR   7   8.533   1.493   4.851
   45    HD1  TYR   7           1HD      TYR   7   5.253  -0.178   4.269
   46    HD2  TYR   7           2HD      TYR   7   7.304   3.456   5.099
   47    HE1  TYR   7           1HE      TYR   7   3.096   0.954   4.612
   48    HE2  TYR   7           2HE      TYR   7   5.153   4.598   5.446
   49    HH   TYR   7           HH       TYR   7   2.098   3.002   4.780
   50    HA   PRO   8           HA       PRO   8   7.051  -3.167   1.344
   51    HB2  PRO   8           1HB      PRO   8   8.124  -5.098   2.962
   52    HB3  PRO   8           2HB      PRO   8   9.025  -4.296   1.678
   53    HG2  PRO   8           1HG      PRO   8   8.970  -3.707   4.618
   54    HG3  PRO   8           2HG      PRO   8  10.384  -3.819   3.503
   55    HD2  PRO   8           1HD      PRO   8   9.335  -1.447   4.303
   56    HD3  PRO   8           2HD      PRO   8  10.043  -1.688   2.697
   57    HA   PRO   9           HA       PRO   9   5.791  -4.635   0.759
   58    HB2  PRO   9           1HB      PRO   9   3.168  -4.400   0.003
   59    HB3  PRO   9           2HB      PRO   9   3.822  -5.817   0.823
   60    HG2  PRO   9           1HG      PRO   9   2.343  -3.471   1.966
   61    HG3  PRO   9           2HG      PRO   9   2.118  -5.230   2.293
   62    HD2  PRO   9           1HD      PRO   9   3.460  -3.584   3.984
   63    HD3  PRO   9           2HD      PRO   9   3.899  -5.286   3.755
   64    H    PHE  10           H        PHE  10   6.355  -3.294  -0.841
   65    HA   PHE  10           HA       PHE  10   6.194  -0.510  -0.609
   66    HB2  PHE  10           1HB      PHE  10   6.726  -2.272  -3.012
   67    HB3  PHE  10           2HB      PHE  10   6.893  -0.516  -3.037
   68    HD1  PHE  10           1HD      PHE  10   8.628   0.607  -1.709
   69    HD2  PHE  10           2HD      PHE  10   8.388  -3.635  -1.957
   70    HE1  PHE  10           1HE      PHE  10  10.931   0.430  -0.859
   71    HE2  PHE  10           2HE      PHE  10  10.689  -3.819  -1.106
   72    HZ   PHE  10           HZ       PHE  10  11.963  -1.785  -0.555
   73    H    PHE  11           H        PHE  11   3.897  -2.782  -1.707
   74    HA   PHE  11           HA       PHE  11   2.294  -0.638  -2.938
   75    HB2  PHE  11           1HB      PHE  11   1.002  -2.631  -3.946
   76    HB3  PHE  11           2HB      PHE  11   2.589  -2.246  -4.615
   77    HD1  PHE  11           1HD      PHE  11   4.517  -3.670  -4.206
   78    HD2  PHE  11           2HD      PHE  11   0.666  -4.667  -2.690
   79    HE1  PHE  11           1HE      PHE  11   5.284  -5.967  -3.778
   80    HE2  PHE  11           2HE      PHE  11   1.429  -6.967  -2.258
   81    HZ   PHE  11           HZ       PHE  11   3.739  -7.619  -2.802
   82    H    ASP  12           H        ASP  12   0.563   0.014  -1.857
   83    HA   ASP  12           HA       ASP  12  -0.507  -1.732   0.259
   84    HB2  ASP  12           1HB      ASP  12   0.486   0.696   0.666
   85    HB3  ASP  12           2HB      ASP  12  -1.137   1.186   0.161
   86    H    CYS  13           H        CYS  13  -2.829  -1.648   0.638
   87    HA   CYS  13           HA       CYS  13  -4.523  -0.615  -1.462
   88    HB2  CYS  13           1HB      CYS  13  -3.839  -3.496  -1.209
   89    HB3  CYS  13           2HB      CYS  13  -5.528  -3.093  -1.560
   90    H    LYS  14           H        LYS  14  -6.649  -0.392  -0.837
   91    HA   LYS  14           HA       LYS  14  -7.638  -1.645   1.565
   92    HB2  LYS  14           1HB      LYS  14  -6.258   0.330   2.343
   93    HB3  LYS  14           2HB      LYS  14  -7.441   1.367   1.529
   94    HG2  LYS  14           1HG      LYS  14  -8.528   1.398   3.472
   95    HG3  LYS  14           2HG      LYS  14  -9.029  -0.255   3.069
   96    HD2  LYS  14           1HD      LYS  14  -6.698  -0.878   4.141
   97    HD3  LYS  14           2HD      LYS  14  -6.917   0.683   4.951
   98    HE2  LYS  14           1HE      LYS  14  -9.013  -0.023   5.904
   99    HE3  LYS  14           2HE      LYS  14  -8.977  -1.517   4.956
  100    HZ1  LYS  14           3HZ      LYS  14  -8.005  -1.177   7.494
  101    HZ2  LYS  14           1HZ      LYS  14  -6.617  -1.222   6.526
  102    HZ3  LYS  14           2HZ      LYS  14  -7.723  -2.502   6.480
  103    HA   PRO  15           HA       PRO  15 -10.761  -0.553  -1.717
  104    HB2  PRO  15           1HB      PRO  15 -11.774  -3.086  -1.959
  105    HB3  PRO  15           2HB      PRO  15 -10.383  -2.504  -2.870
  106    HG2  PRO  15           1HG      PRO  15 -10.458  -4.121  -0.347
  107    HG3  PRO  15           2HG      PRO  15  -9.448  -4.357  -1.821
  108    HD2  PRO  15           1HD      PRO  15  -8.487  -3.213   0.446
  109    HD3  PRO  15           2HD      PRO  15  -7.947  -2.733  -1.172
  110    H    ASN  16           H        ASN  16 -13.025  -0.429  -1.476
  111    HA   ASN  16           HA       ASN  16 -14.057  -1.228   1.163
  112    HB2  ASN  16           1HB      ASN  16 -13.661   1.160   1.225
  113    HB3  ASN  16           2HB      ASN  16 -14.533   1.377  -0.297
  114   HD21  ASN  16          1HD2      ASN  16 -14.796   1.006   3.098
  115   HD22  ASN  16          2HD2      ASN  16 -16.511   1.185   3.210
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.390   4.825  -3.394
    2    HA2  GLY   1           2HA      GLY   1  -8.796   2.518  -1.972
    3    HA3  GLY   1           3HA      GLY   1  -8.565   2.552  -3.714
    4    H    CYS   2           H        CYS   2  -6.294   2.532  -4.484
    5    HA   CYS   2           HA       CYS   2  -4.548   1.044  -2.634
    6    HB2  CYS   2           1HB      CYS   2  -5.174   0.522  -5.534
    7    HB3  CYS   2           2HB      CYS   2  -3.714  -0.123  -4.765
    8    H    TRP   3           H        TRP   3  -2.405   1.564  -2.627
    9    HA   TRP   3           HA       TRP   3  -1.148   3.098  -4.669
   10    HB2  TRP   3           1HB      TRP   3  -0.831   5.184  -3.545
   11    HB3  TRP   3           2HB      TRP   3  -2.561   4.837  -3.528
   12    HD1  TRP   3           HD       TRP   3   0.323   5.498  -1.217
   13    HE1  TRP   3           1HE      TRP   3  -0.493   5.437   1.224
   14    HE3  TRP   3           3HE      TRP   3  -4.348   3.562  -1.969
   15    HZ2  TRP   3           2HZ      TRP   3  -2.809   4.669   2.642
   16    HZ3  TRP   3           3HZ      TRP   3  -5.801   3.194  -0.018
   17    HH2  TRP   3           HH       TRP   3  -5.045   3.737   2.240
   18    HA   PRO   4           HA       PRO   4   2.403   1.339  -2.777
   19    HB2  PRO   4           1HB      PRO   4   4.346   3.063  -3.644
   20    HB3  PRO   4           2HB      PRO   4   3.542   1.897  -4.693
   21    HG2  PRO   4           1HG      PRO   4   2.964   4.813  -4.297
   22    HG3  PRO   4           2HG      PRO   4   3.079   3.871  -5.830
   23    HD2  PRO   4           1HD      PRO   4   0.704   4.554  -4.705
   24    HD3  PRO   4           2HD      PRO   4   0.943   3.039  -5.595
   25    H    VAL   5           H        VAL   5   4.100   1.726  -1.208
   26    HA   VAL   5           HA       VAL   5   3.861   4.207   0.333
   27    HB   VAL   5           HB       VAL   5   3.945   2.810   2.453
   28   HG11  VAL   5          1HG1      VAL   5   1.940   3.907   2.159
   29   HG12  VAL   5          2HG1      VAL   5   1.572   3.057   0.657
   30   HG13  VAL   5          3HG1      VAL   5   1.414   2.225   2.205
   31   HG21  VAL   5          3HG2      VAL   5   3.291   0.547   2.414
   32   HG22  VAL   5          1HG2      VAL   5   2.808   0.633   0.721
   33   HG23  VAL   5          2HG2      VAL   5   4.517   0.699   1.156
   34    HA   PRO   6           HA       PRO   6   8.242   3.957   0.554
   35    HB2  PRO   6           1HB      PRO   6   8.695   5.383   2.848
   36    HB3  PRO   6           2HB      PRO   6   8.190   6.120   1.329
   37    HG2  PRO   6           1HG      PRO   6   6.535   5.328   3.702
   38    HG3  PRO   6           2HG      PRO   6   6.488   6.850   2.736
   39    HD2  PRO   6           1HD      PRO   6   4.679   4.851   2.411
   40    HD3  PRO   6           2HD      PRO   6   5.233   5.868   1.070
   41    H    TYR   7           H        TYR   7   7.140   1.564   1.361
   42    HA   TYR   7           HA       TYR   7   9.110   0.396   2.890
   43    HB2  TYR   7           1HB      TYR   7   7.721  -0.059   5.015
   44    HB3  TYR   7           2HB      TYR   7   8.514   1.509   4.861
   45    HD1  TYR   7           2HD      TYR   7   5.232  -0.155   4.276
   46    HD2  TYR   7           1HD      TYR   7   7.291   3.478   5.094
   47    HE1  TYR   7           2HE      TYR   7   3.078   0.987   4.604
   48    HE2  TYR   7           1HE      TYR   7   5.142   4.629   5.426
   49    HH   TYR   7           HH       TYR   7   2.832   4.086   5.990
   50    HA   PRO   8           HA       PRO   8   7.036  -3.166   1.373
   51    HB2  PRO   8           1HB      PRO   8   8.096  -5.091   3.007
   52    HB3  PRO   8           2HB      PRO   8   9.004  -4.297   1.722
   53    HG2  PRO   8           1HG      PRO   8   8.939  -3.693   4.658
   54    HG3  PRO   8           2HG      PRO   8  10.357  -3.814   3.551
   55    HD2  PRO   8           1HD      PRO   8   9.310  -1.436   4.333
   56    HD3  PRO   8           2HD      PRO   8  10.025  -1.686   2.731
   57    HA   PRO   9           HA       PRO   9   5.774  -4.633   0.791
   58    HB2  PRO   9           1HB      PRO   9   3.156  -4.394   0.022
   59    HB3  PRO   9           2HB      PRO   9   3.802  -5.809   0.854
   60    HG2  PRO   9           1HG      PRO   9   2.325  -3.453   1.975
   61    HG3  PRO   9           2HG      PRO   9   2.092  -5.209   2.312
   62    HD2  PRO   9           1HD      PRO   9   3.432  -3.559   4.001
   63    HD3  PRO   9           2HD      PRO   9   3.868  -5.263   3.781
   64    H    PHE  10           H        PHE  10   6.349  -3.303  -0.814
   65    HA   PHE  10           HA       PHE  10   6.195  -0.517  -0.598
   66    HB2  PHE  10           1HB      PHE  10   6.733  -2.295  -2.988
   67    HB3  PHE  10           2HB      PHE  10   6.903  -0.538  -3.023
   68    HD1  PHE  10           2HD      PHE  10   8.268   0.311  -0.770
   69    HD2  PHE  10           1HD      PHE  10   8.752  -3.377  -2.839
   70    HE1  PHE  10           2HE      PHE  10  10.565   0.133   0.093
   71    HE2  PHE  10           1HE      PHE  10  11.050  -3.562  -1.979
   72    HZ   PHE  10           HZ       PHE  10  11.960  -1.805  -0.511
   73    H    PHE  11           H        PHE  11   3.896  -2.789  -1.693
   74    HA   PHE  11           HA       PHE  11   2.304  -0.647  -2.943
   75    HB2  PHE  11           1HB      PHE  11   1.012  -2.641  -3.945
   76    HB3  PHE  11           2HB      PHE  11   2.602  -2.265  -4.611
   77    HD1  PHE  11           2HD      PHE  11   0.688  -4.652  -2.616
   78    HD2  PHE  11           1HD      PHE  11   4.503  -3.710  -4.251
   79    HE1  PHE  11           2HE      PHE  11   1.443  -6.950  -2.169
   80    HE2  PHE  11           1HE      PHE  11   5.264  -6.008  -3.808
   81    HZ   PHE  11           HZ       PHE  11   3.734  -7.631  -2.763
   82    H    ASP  12           H        ASP  12   0.572   0.015  -1.873
   83    HA   ASP  12           HA       ASP  12  -0.514  -1.715   0.246
   84    HB2  ASP  12           1HB      ASP  12   0.483   0.712   0.646
   85    HB3  ASP  12           2HB      ASP  12  -1.136   1.202   0.131
   86    H    CYS  13           H        CYS  13  -2.837  -1.626   0.616
   87    HA   CYS  13           HA       CYS  13  -4.519  -0.598  -1.497
   88    HB2  CYS  13           1HB      CYS  13  -3.844  -3.481  -1.228
   89    HB3  CYS  13           2HB      CYS  13  -5.530  -3.075  -1.588
   90    H    LYS  14           H        LYS  14  -6.665  -0.408  -0.898
   91    HA   LYS  14           HA       LYS  14  -7.524  -1.536   1.648
   92    HB2  LYS  14           1HB      LYS  14  -6.435   0.731   2.043
   93    HB3  LYS  14           2HB      LYS  14  -7.794   1.425   1.146
   94    HG2  LYS  14           1HG      LYS  14  -9.042  -0.191   3.000
   95    HG3  LYS  14           2HG      LYS  14  -7.666   0.481   3.890
   96    HD2  LYS  14           1HD      LYS  14  -8.368   2.690   3.578
   97    HD3  LYS  14           2HD      LYS  14  -9.430   2.250   2.232
   98    HE2  LYS  14           1HE      LYS  14  -9.998   1.035   4.893
   99    HE3  LYS  14           2HE      LYS  14 -10.365   2.751   4.669
  100    HZ1  LYS  14           3HZ      LYS  14 -12.187   2.211   3.560
  101    HZ2  LYS  14           1HZ      LYS  14 -11.884   0.573   3.858
  102    HZ3  LYS  14           2HZ      LYS  14 -11.302   1.297   2.444
  103    HA   PRO  15           HA       PRO  15 -10.772  -1.468  -1.681
  104    HB2  PRO  15           1HB      PRO  15 -11.457  -4.106  -1.411
  105    HB3  PRO  15           2HB      PRO  15 -10.150  -3.542  -2.450
  106    HG2  PRO  15           1HG      PRO  15 -10.024  -4.641   0.336
  107    HG3  PRO  15           2HG      PRO  15  -8.991  -5.028  -1.089
  108    HD2  PRO  15           1HD      PRO  15  -8.182  -3.362   0.896
  109    HD3  PRO  15           2HD      PRO  15  -7.706  -3.137  -0.796
  110    H    ASN  16           H        ASN  16 -12.847  -0.998  -1.239
  111    HA   ASN  16           HA       ASN  16 -13.866  -1.682   1.439
  112    HB2  ASN  16           1HB      ASN  16 -13.514   0.744   1.054
  113    HB3  ASN  16           2HB      ASN  16 -14.643   0.668  -0.302
  114   HD21  ASN  16          1HD2      ASN  16 -14.701  -0.695   2.972
  115   HD22  ASN  16          2HD2      ASN  16 -16.228  -0.018   3.410
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -7.646   4.122  -1.229
    2    HA2  GLY   1           2HA      GLY   1  -8.884   2.130  -2.958
    3    HA3  GLY   1           3HA      GLY   1  -8.040   3.441  -3.769
    4    H    CYS   2           H        CYS   2  -6.256   2.522  -4.581
    5    HA   CYS   2           HA       CYS   2  -4.521   1.051  -2.707
    6    HB2  CYS   2           1HB      CYS   2  -5.127   0.521  -5.609
    7    HB3  CYS   2           2HB      CYS   2  -3.673  -0.125  -4.827
    8    H    TRP   3           H        TRP   3  -2.377   1.568  -2.684
    9    HA   TRP   3           HA       TRP   3  -1.101   3.091  -4.722
   10    HB2  TRP   3           1HB      TRP   3  -0.787   5.180  -3.604
   11    HB3  TRP   3           2HB      TRP   3  -2.518   4.838  -3.600
   12    HD1  TRP   3           HD       TRP   3   0.348   5.501  -1.267
   13    HE1  TRP   3           1HE      TRP   3  -0.486   5.450   1.166
   14    HE3  TRP   3           3HE      TRP   3  -4.321   3.571  -2.049
   15    HZ2  TRP   3           2HZ      TRP   3  -2.816   4.692   2.570
   16    HZ3  TRP   3           3HZ      TRP   3  -5.790   3.213  -0.108
   17    HH2  TRP   3           HH       TRP   3  -5.050   3.762   2.153
   18    HA   PRO   4           HA       PRO   4   2.432   1.332  -2.796
   19    HB2  PRO   4           1HB      PRO   4   4.384   3.049  -3.654
   20    HB3  PRO   4           2HB      PRO   4   3.587   1.881  -4.705
   21    HG2  PRO   4           1HG      PRO   4   3.011   4.800  -4.324
   22    HG3  PRO   4           2HG      PRO   4   3.137   3.852  -5.853
   23    HD2  PRO   4           1HD      PRO   4   0.754   4.543  -4.748
   24    HD3  PRO   4           2HD      PRO   4   0.997   3.025  -5.632
   25    H    VAL   5           H        VAL   5   4.116   1.721  -1.215
   26    HA   VAL   5           HA       VAL   5   3.869   4.207   0.316
   27    HB   VAL   5           HB       VAL   5   3.936   2.818   2.441
   28   HG11  VAL   5          1HG1      VAL   5   1.385   2.191   2.083
   29   HG12  VAL   5          2HG1      VAL   5   1.923   3.867   2.216
   30   HG13  VAL   5          3HG1      VAL   5   1.609   3.163   0.629
   31   HG21  VAL   5          3HG2      VAL   5   4.512   0.701   1.156
   32   HG22  VAL   5          1HG2      VAL   5   3.273   0.556   2.404
   33   HG23  VAL   5          2HG2      VAL   5   2.807   0.637   0.705
   34    HA   PRO   6           HA       PRO   6   8.249   3.952   0.572
   35    HB2  PRO   6           1HB      PRO   6   8.687   5.384   2.866
   36    HB3  PRO   6           2HB      PRO   6   8.195   6.117   1.340
   37    HG2  PRO   6           1HG      PRO   6   6.519   5.335   3.702
   38    HG3  PRO   6           2HG      PRO   6   6.483   6.853   2.730
   39    HD2  PRO   6           1HD      PRO   6   4.674   4.858   2.397
   40    HD3  PRO   6           2HD      PRO   6   5.240   5.868   1.059
   41    H    TYR   7           H        TYR   7   7.135   1.564   1.379
   42    HA   TYR   7           HA       TYR   7   9.091   0.396   2.927
   43    HB2  TYR   7           1HB      TYR   7   7.687  -0.050   5.042
   44    HB3  TYR   7           2HB      TYR   7   8.482   1.518   4.889
   45    HD1  TYR   7           1HD      TYR   7   5.202  -0.143   4.283
   46    HD2  TYR   7           2HD      TYR   7   7.260   3.489   5.106
   47    HE1  TYR   7           1HE      TYR   7   3.047   1.002   4.590
   48    HE2  TYR   7           2HE      TYR   7   5.111   4.643   5.416
   49    HH   TYR   7           HH       TYR   7   2.898   4.478   5.299
   50    HA   PRO   8           HA       PRO   8   7.022  -3.168   1.406
   51    HB2  PRO   8           1HB      PRO   8   8.066  -5.089   3.055
   52    HB3  PRO   8           2HB      PRO   8   8.987  -4.301   1.775
   53    HG2  PRO   8           1HG      PRO   8   8.897  -3.685   4.708
   54    HG3  PRO   8           2HG      PRO   8  10.325  -3.815   3.613
   55    HD2  PRO   8           1HD      PRO   8   9.277  -1.430   4.379
   56    HD3  PRO   8           2HD      PRO   8  10.004  -1.688   2.783
   57    HA   PRO   9           HA       PRO   9   5.763  -4.634   0.819
   58    HB2  PRO   9           1HB      PRO   9   3.151  -4.392   0.028
   59    HB3  PRO   9           2HB      PRO   9   3.787  -5.806   0.870
   60    HG2  PRO   9           1HG      PRO   9   2.306  -3.443   1.974
   61    HG3  PRO   9           2HG      PRO   9   2.068  -5.198   2.313
   62    HD2  PRO   9           1HD      PRO   9   3.397  -3.544   4.006
   63    HD3  PRO   9           2HD      PRO   9   3.831  -5.249   3.797
   64    H    PHE  10           H        PHE  10   6.352  -3.310  -0.786
   65    HA   PHE  10           HA       PHE  10   6.202  -0.523  -0.580
   66    HB2  PHE  10           1HB      PHE  10   6.756  -2.311  -2.959
   67    HB3  PHE  10           2HB      PHE  10   6.930  -0.555  -3.000
   68    HD1  PHE  10           2HD      PHE  10   8.712   0.571  -1.811
   69    HD2  PHE  10           1HD      PHE  10   8.339  -3.668  -1.719
   70    HE1  PHE  10           2HE      PHE  10  11.003   0.392  -0.931
   71    HE2  PHE  10           1HE      PHE  10  10.628  -3.854  -0.838
   72    HZ   PHE  10           HZ       PHE  10  11.965  -1.823  -0.444
   73    H    PHE  11           H        PHE  11   3.907  -2.794  -1.686
   74    HA   PHE  11           HA       PHE  11   2.331  -0.655  -2.956
   75    HB2  PHE  11           1HB      PHE  11   1.042  -2.650  -3.962
   76    HB3  PHE  11           2HB      PHE  11   2.638  -2.278  -4.615
   77    HD1  PHE  11           2HD      PHE  11   0.709  -4.648  -2.608
   78    HD2  PHE  11           1HD      PHE  11   4.526  -3.733  -4.256
   79    HE1  PHE  11           2HE      PHE  11   1.456  -6.946  -2.146
   80    HE2  PHE  11           1HE      PHE  11   5.278  -6.031  -3.797
   81    HZ   PHE  11           HZ       PHE  11   3.743  -7.640  -2.740
   82    H    ASP  12           H        ASP  12   0.591   0.016  -1.901
   83    HA   ASP  12           HA       ASP  12  -0.515  -1.705   0.216
   84    HB2  ASP  12           1HB      ASP  12   0.484   0.721   0.614
   85    HB3  ASP  12           2HB      ASP  12  -1.130   1.214   0.085
   86    H    CYS  13           H        CYS  13  -2.840  -1.610   0.566
   87    HA   CYS  13           HA       CYS  13  -4.503  -0.586  -1.563
   88    HB2  CYS  13           1HB      CYS  13  -3.835  -3.468  -1.279
   89    HB3  CYS  13           2HB      CYS  13  -5.518  -3.062  -1.653
   90    H    LYS  14           H        LYS  14  -6.650  -0.379  -0.978
   91    HA   LYS  14           HA       LYS  14  -7.682  -1.606   1.410
   92    HB2  LYS  14           1HB      LYS  14  -6.312   0.286   2.293
   93    HB3  LYS  14           2HB      LYS  14  -7.343   1.398   1.379
   94    HG2  LYS  14           1HG      LYS  14  -8.079   1.379   3.656
   95    HG3  LYS  14           2HG      LYS  14  -9.297   0.566   2.659
   96    HD2  LYS  14           1HD      LYS  14  -9.176  -1.182   4.035
   97    HD3  LYS  14           2HD      LYS  14  -7.524  -1.448   3.452
   98    HE2  LYS  14           1HE      LYS  14  -6.554  -0.442   5.279
   99    HE3  LYS  14           2HE      LYS  14  -7.955   0.600   5.566
  100    HZ1  LYS  14           3HZ      LYS  14  -7.941  -0.971   7.294
  101    HZ2  LYS  14           1HZ      LYS  14  -7.663  -2.267   6.243
  102    HZ3  LYS  14           2HZ      LYS  14  -9.163  -1.486   6.243
  103    HA   PRO  15           HA       PRO  15 -10.737  -0.433  -1.909
  104    HB2  PRO  15           1HB      PRO  15 -11.788  -2.947  -2.190
  105    HB3  PRO  15           2HB      PRO  15 -10.373  -2.378  -3.075
  106    HG2  PRO  15           1HG      PRO  15 -10.512  -4.017  -0.568
  107    HG3  PRO  15           2HG      PRO  15  -9.485  -4.256  -2.030
  108    HD2  PRO  15           1HD      PRO  15  -8.538  -3.152   0.262
  109    HD3  PRO  15           2HD      PRO  15  -7.966  -2.664  -1.343
  110    H    ASN  16           H        ASN  16 -12.966  -0.181  -1.660
  111    HA   ASN  16           HA       ASN  16 -14.061  -1.016   0.945
  112    HB2  ASN  16           1HB      ASN  16 -13.640   1.355   1.050
  113    HB3  ASN  16           2HB      ASN  16 -14.438   1.610  -0.507
  114   HD21  ASN  16          1HD2      ASN  16 -15.004   0.541   2.802
  115   HD22  ASN  16          2HD2      ASN  16 -16.662   1.024   2.866
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -10.173   2.449  -3.185
    2    HA2  GLY   1           2HA      GLY   1  -7.950   3.808  -3.794
    3    HA3  GLY   1           3HA      GLY   1  -8.481   3.643  -2.127
    4    H    CYS   2           H        CYS   2  -6.146   2.734  -4.485
    5    HA   CYS   2           HA       CYS   2  -4.605   1.375  -2.385
    6    HB2  CYS   2           1HB      CYS   2  -4.657   0.445  -5.256
    7    HB3  CYS   2           2HB      CYS   2  -3.910  -0.367  -3.868
    8    H    TRP   3           H        TRP   3  -2.586   2.105  -2.189
    9    HA   TRP   3           HA       TRP   3  -1.221   3.286  -4.474
   10    HB2  TRP   3           1HB      TRP   3  -0.730   5.374  -3.413
   11    HB3  TRP   3           2HB      TRP   3  -2.476   5.136  -3.330
   12    HD1  TRP   3           HD       TRP   3   0.491   5.751  -1.142
   13    HE1  TRP   3           1HE      TRP   3  -0.229   5.764   1.329
   14    HE3  TRP   3           3HE      TRP   3  -4.243   3.895  -1.668
   15    HZ2  TRP   3           2HZ      TRP   3  -2.504   5.078   2.853
   16    HZ3  TRP   3           3HZ      TRP   3  -5.626   3.604   0.346
   17    HH2  TRP   3           HH       TRP   3  -4.773   4.183   2.559
   18    HA   PRO   4           HA       PRO   4   2.295   1.362  -2.679
   19    HB2  PRO   4           1HB      PRO   4   4.299   2.949  -3.664
   20    HB3  PRO   4           2HB      PRO   4   3.387   1.808  -4.650
   21    HG2  PRO   4           1HG      PRO   4   2.998   4.763  -4.306
   22    HG3  PRO   4           2HG      PRO   4   2.996   3.781  -5.817
   23    HD2  PRO   4           1HD      PRO   4   0.713   4.628  -4.618
   24    HD3  PRO   4           2HD      PRO   4   0.825   3.084  -5.479
   25    H    VAL   5           H        VAL   5   4.181   1.759  -1.271
   26    HA   VAL   5           HA       VAL   5   4.118   4.258   0.240
   27    HB   VAL   5           HB       VAL   5   4.211   2.918   2.396
   28   HG11  VAL   5          1HG1      VAL   5   1.828   2.882   2.636
   29   HG12  VAL   5          2HG1      VAL   5   2.255   4.248   1.603
   30   HG13  VAL   5          3HG1      VAL   5   1.604   2.771   0.891
   31   HG21  VAL   5          3HG2      VAL   5   2.845   0.772   0.797
   32   HG22  VAL   5          1HG2      VAL   5   4.578   0.741   1.119
   33   HG23  VAL   5          2HG2      VAL   5   3.431   0.701   2.458
   34    HA   PRO   6           HA       PRO   6   8.482   3.733   0.271
   35    HB2  PRO   6           1HB      PRO   6   9.130   5.211   2.484
   36    HB3  PRO   6           2HB      PRO   6   8.602   5.922   0.960
   37    HG2  PRO   6           1HG      PRO   6   7.010   5.328   3.432
   38    HG3  PRO   6           2HG      PRO   6   7.015   6.812   2.408
   39    HD2  PRO   6           1HD      PRO   6   5.071   4.925   2.242
   40    HD3  PRO   6           2HD      PRO   6   5.626   5.852   0.839
   41    H    TYR   7           H        TYR   7   7.271   1.448   1.218
   42    HA   TYR   7           HA       TYR   7   9.231   0.214   2.710
   43    HB2  TYR   7           1HB      TYR   7   7.914  -0.075   4.905
   44    HB3  TYR   7           2HB      TYR   7   8.789   1.437   4.657
   45    HD1  TYR   7           2HD      TYR   7   5.394  -0.047   4.284
   46    HD2  TYR   7           1HD      TYR   7   7.696   3.485   4.855
   47    HE1  TYR   7           2HE      TYR   7   3.327   1.232   4.656
   48    HE2  TYR   7           1HE      TYR   7   5.635   4.775   5.230
   49    HH   TYR   7           HH       TYR   7   3.253   4.633   4.702
   50    HA   PRO   8           HA       PRO   8   6.873  -3.258   1.410
   51    HB2  PRO   8           1HB      PRO   8   7.904  -5.193   3.052
   52    HB3  PRO   8           2HB      PRO   8   8.788  -4.494   1.697
   53    HG2  PRO   8           1HG      PRO   8   8.913  -3.796   4.610
   54    HG3  PRO   8           2HG      PRO   8  10.261  -4.039   3.438
   55    HD2  PRO   8           1HD      PRO   8   9.399  -1.578   4.192
   56    HD3  PRO   8           2HD      PRO   8  10.011  -1.920   2.565
   57    HA   PRO   9           HA       PRO   9   5.501  -4.666   0.944
   58    HB2  PRO   9           1HB      PRO   9   2.865  -4.297   0.299
   59    HB3  PRO   9           2HB      PRO   9   3.470  -5.721   1.146
   60    HG2  PRO   9           1HG      PRO   9   2.192  -3.246   2.259
   61    HG3  PRO   9           2HG      PRO   9   1.876  -4.974   2.667
   62    HD2  PRO   9           1HD      PRO   9   3.395  -3.352   4.228
   63    HD3  PRO   9           2HD      PRO   9   3.720  -5.086   4.046
   64    H    PHE  10           H        PHE  10   6.062  -3.427  -0.737
   65    HA   PHE  10           HA       PHE  10   6.081  -0.630  -0.610
   66    HB2  PHE  10           1HB      PHE  10   6.391  -2.512  -2.960
   67    HB3  PHE  10           2HB      PHE  10   6.660  -0.771  -3.065
   68    HD1  PHE  10           1HD      PHE  10   8.415   0.273  -1.542
   69    HD2  PHE  10           2HD      PHE  10   8.123  -3.914  -2.250
   70    HE1  PHE  10           1HE      PHE  10  10.741  -0.013  -0.790
   71    HE2  PHE  10           2HE      PHE  10  10.447  -4.207  -1.498
   72    HZ   PHE  10           HZ       PHE  10  11.759  -2.256  -0.767
   73    H    PHE  11           H        PHE  11   3.597  -2.792  -1.494
   74    HA   PHE  11           HA       PHE  11   2.079  -0.616  -2.772
   75    HB2  PHE  11           1HB      PHE  11   0.596  -2.565  -3.571
   76    HB3  PHE  11           2HB      PHE  11   2.169  -2.354  -4.341
   77    HD1  PHE  11           1HD      PHE  11   4.001  -3.894  -3.925
   78    HD2  PHE  11           2HD      PHE  11   0.174  -4.476  -2.155
   79    HE1  PHE  11           1HE      PHE  11   4.615  -6.212  -3.368
   80    HE2  PHE  11           2HE      PHE  11   0.783  -6.793  -1.594
   81    HZ   PHE  11           HZ       PHE  11   3.006  -7.664  -2.200
   82    H    ASP  12           H        ASP  12   0.481   0.245  -1.636
   83    HA   ASP  12           HA       ASP  12  -0.649  -1.308   0.598
   84    HB2  ASP  12           1HB      ASP  12   0.661   0.980   0.907
   85    HB3  ASP  12           2HB      ASP  12  -0.912   1.664   0.479
   86    H    CYS  13           H        CYS  13  -2.350  -2.275  -0.453
   87    HA   CYS  13           HA       CYS  13  -4.310  -0.491  -1.733
   88    HB2  CYS  13           1HB      CYS  13  -3.407  -2.290  -3.154
   89    HB3  CYS  13           2HB      CYS  13  -4.014  -3.491  -2.001
   90    H    LYS  14           H        LYS  14  -6.123  -0.076  -0.672
   91    HA   LYS  14           HA       LYS  14  -7.483  -2.072   0.877
   92    HB2  LYS  14           1HB      LYS  14  -5.681  -1.174   2.420
   93    HB3  LYS  14           2HB      LYS  14  -6.537   0.375   2.367
   94    HG2  LYS  14           1HG      LYS  14  -8.333  -0.403   3.579
   95    HG3  LYS  14           2HG      LYS  14  -8.036  -2.089   3.121
   96    HD2  LYS  14           1HD      LYS  14  -6.718  -2.450   4.890
   97    HD3  LYS  14           2HD      LYS  14  -5.809  -0.955   4.601
   98    HE2  LYS  14           1HE      LYS  14  -6.746  -0.402   6.608
   99    HE3  LYS  14           2HE      LYS  14  -8.041   0.139   5.531
  100    HZ1  LYS  14           3HZ      LYS  14  -8.397  -1.533   7.588
  101    HZ2  LYS  14           1HZ      LYS  14  -8.205  -2.639   6.322
  102    HZ3  LYS  14           2HZ      LYS  14  -9.417  -1.463   6.240
  103    HA   PRO  15           HA       PRO  15 -10.104   1.206  -1.105
  104    HB2  PRO  15           1HB      PRO  15 -11.801  -0.555  -2.336
  105    HB3  PRO  15           2HB      PRO  15 -10.282  -0.011  -3.046
  106    HG2  PRO  15           1HG      PRO  15 -10.875  -2.526  -1.524
  107    HG3  PRO  15           2HG      PRO  15  -9.946  -2.312  -3.054
  108    HD2  PRO  15           1HD      PRO  15  -8.742  -2.650  -0.644
  109    HD3  PRO  15           2HD      PRO  15  -8.053  -1.638  -1.926
  110    H    ASN  16           H        ASN  16 -12.102   1.911  -0.410
  111    HA   ASN  16           HA       ASN  16 -13.082   0.740   2.030
  112    HB2  ASN  16           1HB      ASN  16 -13.873   3.162   0.409
  113    HB3  ASN  16           2HB      ASN  16 -14.780   2.651   1.839
  114   HD21  ASN  16          1HD2      ASN  16 -12.052   4.305   0.685
  115   HD22  ASN  16          2HD2      ASN  16 -11.342   4.688   2.213
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -9.868   2.153  -2.992
    2    HA2  GLY   1           2HA      GLY   1  -8.159   3.166  -4.159
    3    HA3  GLY   1           3HA      GLY   1  -7.904   4.214  -2.772
    4    H    CYS   2           H        CYS   2  -6.073   2.632  -4.602
    5    HA   CYS   2           HA       CYS   2  -4.520   1.366  -2.446
    6    HB2  CYS   2           1HB      CYS   2  -4.582   0.369  -5.295
    7    HB3  CYS   2           2HB      CYS   2  -3.842  -0.419  -3.890
    8    H    TRP   3           H        TRP   3  -2.579   2.243  -2.203
    9    HA   TRP   3           HA       TRP   3  -1.172   3.310  -4.537
   10    HB2  TRP   3           1HB      TRP   3  -0.647   5.401  -3.470
   11    HB3  TRP   3           2HB      TRP   3  -2.397   5.191  -3.439
   12    HD1  TRP   3           HD       TRP   3   0.507   5.794  -1.171
   13    HE1  TRP   3           1HE      TRP   3  -0.284   5.830   1.278
   14    HE3  TRP   3           3HE      TRP   3  -4.222   3.963  -1.818
   15    HZ2  TRP   3           2HZ      TRP   3  -2.605   5.169   2.743
   16    HZ3  TRP   3           3HZ      TRP   3  -5.663   3.695   0.159
   17    HH2  TRP   3           HH       TRP   3  -4.869   4.285   2.391
   18    HA   PRO   4           HA       PRO   4   2.338   1.386  -2.731
   19    HB2  PRO   4           1HB      PRO   4   4.348   2.949  -3.738
   20    HB3  PRO   4           2HB      PRO   4   3.425   1.805  -4.711
   21    HG2  PRO   4           1HG      PRO   4   3.055   4.765  -4.394
   22    HG3  PRO   4           2HG      PRO   4   3.042   3.768  -5.897
   23    HD2  PRO   4           1HD      PRO   4   0.769   4.641  -4.699
   24    HD3  PRO   4           2HD      PRO   4   0.869   3.087  -5.545
   25    H    VAL   5           H        VAL   5   4.191   1.757  -1.302
   26    HA   VAL   5           HA       VAL   5   4.172   4.284   0.168
   27    HB   VAL   5           HB       VAL   5   4.235   2.968   2.342
   28   HG11  VAL   5          1HG1      VAL   5   1.699   3.050   0.711
   29   HG12  VAL   5          2HG1      VAL   5   1.763   2.801   2.457
   30   HG13  VAL   5          3HG1      VAL   5   2.329   4.320   1.761
   31   HG21  VAL   5          3HG2      VAL   5   3.392   0.769   2.423
   32   HG22  VAL   5          1HG2      VAL   5   2.843   0.833   0.748
   33   HG23  VAL   5          2HG2      VAL   5   4.568   0.768   1.109
   34    HA   PRO   6           HA       PRO   6   8.527   3.686   0.225
   35    HB2  PRO   6           1HB      PRO   6   9.189   5.187   2.416
   36    HB3  PRO   6           2HB      PRO   6   8.681   5.883   0.878
   37    HG2  PRO   6           1HG      PRO   6   7.069   5.356   3.351
   38    HG3  PRO   6           2HG      PRO   6   7.104   6.823   2.305
   39    HD2  PRO   6           1HD      PRO   6   5.128   4.967   2.160
   40    HD3  PRO   6           2HD      PRO   6   5.705   5.862   0.745
   41    H    TYR   7           H        TYR   7   7.273   1.437   1.202
   42    HA   TYR   7           HA       TYR   7   9.206   0.195   2.723
   43    HB2  TYR   7           1HB      TYR   7   7.876  -0.036   4.917
   44    HB3  TYR   7           2HB      TYR   7   8.774   1.457   4.648
   45    HD1  TYR   7           1HD      TYR   7   5.359   0.017   4.284
   46    HD2  TYR   7           2HD      TYR   7   7.710   3.525   4.802
   47    HE1  TYR   7           1HE      TYR   7   3.308   1.334   4.626
   48    HE2  TYR   7           2HE      TYR   7   5.667   4.851   5.147
   49    HH   TYR   7           HH       TYR   7   3.325   4.470   5.872
   50    HA   PRO   8           HA       PRO   8   6.799  -3.258   1.467
   51    HB2  PRO   8           1HB      PRO   8   7.786  -5.182   3.147
   52    HB3  PRO   8           2HB      PRO   8   8.691  -4.522   1.785
   53    HG2  PRO   8           1HG      PRO   8   8.813  -3.777   4.688
   54    HG3  PRO   8           2HG      PRO   8  10.162  -4.061   3.527
   55    HD2  PRO   8           1HD      PRO   8   9.336  -1.574   4.234
   56    HD3  PRO   8           2HD      PRO   8   9.952  -1.954   2.618
   57    HA   PRO   9           HA       PRO   9   5.404  -4.649   1.016
   58    HB2  PRO   9           1HB      PRO   9   2.778  -4.246   0.350
   59    HB3  PRO   9           2HB      PRO   9   3.355  -5.666   1.224
   60    HG2  PRO   9           1HG      PRO   9   2.112  -3.152   2.291
   61    HG3  PRO   9           2HG      PRO   9   1.766  -4.869   2.723
   62    HD2  PRO   9           1HD      PRO   9   3.304  -3.249   4.266
   63    HD3  PRO   9           2HD      PRO   9   3.600  -4.990   4.114
   64    H    PHE  10           H        PHE  10   5.999  -3.444  -0.679
   65    HA   PHE  10           HA       PHE  10   6.066  -0.648  -0.596
   66    HB2  PHE  10           1HB      PHE  10   6.352  -2.571  -2.916
   67    HB3  PHE  10           2HB      PHE  10   6.652  -0.837  -3.046
   68    HD1  PHE  10           1HD      PHE  10   8.323   0.147  -1.262
   69    HD2  PHE  10           2HD      PHE  10   8.152  -3.938  -2.442
   70    HE1  PHE  10           1HE      PHE  10  10.640  -0.168  -0.495
   71    HE2  PHE  10           2HE      PHE  10  10.468  -4.261  -1.676
   72    HZ   PHE  10           HZ       PHE  10  11.714  -2.374  -0.700
   73    H    PHE  11           H        PHE  11   3.550  -2.780  -1.467
   74    HA   PHE  11           HA       PHE  11   2.071  -0.590  -2.767
   75    HB2  PHE  11           1HB      PHE  11   0.571  -2.526  -3.576
   76    HB3  PHE  11           2HB      PHE  11   2.151  -2.327  -4.336
   77    HD1  PHE  11           1HD      PHE  11   3.985  -3.868  -3.866
   78    HD2  PHE  11           2HD      PHE  11   0.107  -4.451  -2.211
   79    HE1  PHE  11           1HE      PHE  11   4.576  -6.191  -3.308
   80    HE2  PHE  11           2HE      PHE  11   0.693  -6.773  -1.649
   81    HZ   PHE  11           HZ       PHE  11   2.929  -7.646  -2.197
   82    H    ASP  12           H        ASP  12   0.471   0.288  -1.648
   83    HA   ASP  12           HA       ASP  12  -0.670  -1.236   0.599
   84    HB2  ASP  12           1HB      ASP  12   0.606   1.077   0.860
   85    HB3  ASP  12           2HB      ASP  12  -0.975   1.728   0.405
   86    H    CYS  13           H        CYS  13  -2.377  -2.242  -0.379
   87    HA   CYS  13           HA       CYS  13  -4.339  -0.527  -1.748
   88    HB2  CYS  13           1HB      CYS  13  -3.375  -2.417  -3.051
   89    HB3  CYS  13           2HB      CYS  13  -4.097  -3.538  -1.883
   90    H    LYS  14           H        LYS  14  -6.162  -0.085  -0.715
   91    HA   LYS  14           HA       LYS  14  -6.971  -1.830   1.516
   92    HB2  LYS  14           1HB      LYS  14  -6.281   0.606   1.972
   93    HB3  LYS  14           2HB      LYS  14  -7.809   1.043   1.192
   94    HG2  LYS  14           1HG      LYS  14  -8.585   0.970   3.305
   95    HG3  LYS  14           2HG      LYS  14  -8.717  -0.762   2.952
   96    HD2  LYS  14           1HD      LYS  14  -6.273  -0.890   3.823
   97    HD3  LYS  14           2HD      LYS  14  -6.638   0.683   4.554
   98    HE2  LYS  14           1HE      LYS  14  -8.316  -0.196   5.934
   99    HE3  LYS  14           2HE      LYS  14  -8.466  -1.659   4.950
  100    HZ1  LYS  14           3HZ      LYS  14  -6.006  -1.018   6.468
  101    HZ2  LYS  14           1HZ      LYS  14  -6.447  -2.499   5.779
  102    HZ3  LYS  14           2HZ      LYS  14  -7.277  -1.915   7.132
  103    HA   PRO  15           HA       PRO  15 -10.236  -2.205  -1.757
  104    HB2  PRO  15           1HB      PRO  15 -10.512  -4.919  -1.510
  105    HB3  PRO  15           2HB      PRO  15  -9.312  -4.152  -2.551
  106    HG2  PRO  15           1HG      PRO  15  -9.001  -5.243   0.225
  107    HG3  PRO  15           2HG      PRO  15  -7.930  -5.457  -1.210
  108    HD2  PRO  15           1HD      PRO  15  -7.371  -3.706   0.786
  109    HD3  PRO  15           2HD      PRO  15  -6.946  -3.396  -0.905
  110    H    ASN  16           H        ASN  16 -12.447  -2.583  -1.466
  111    HA   ASN  16           HA       ASN  16 -13.403  -3.576   1.088
  112    HB2  ASN  16           1HB      ASN  16 -14.797  -1.557   1.500
  113    HB3  ASN  16           2HB      ASN  16 -13.062  -1.240   1.622
  114   HD21  ASN  16          1HD2      ASN  16 -12.322   0.469   0.601
  115   HD22  ASN  16          2HD2      ASN  16 -13.088   1.275  -0.722
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -7.985   4.337  -1.494
    2    HA2  GLY   1           2HA      GLY   1  -8.864   2.304  -3.445
    3    HA3  GLY   1           3HA      GLY   1  -7.884   3.673  -3.945
    4    H    CYS   2           H        CYS   2  -6.058   2.644  -4.585
    5    HA   CYS   2           HA       CYS   2  -4.533   1.291  -2.472
    6    HB2  CYS   2           1HB      CYS   2  -4.596   0.318  -5.328
    7    HB3  CYS   2           2HB      CYS   2  -3.841  -0.474  -3.934
    8    H    TRP   3           H        TRP   3  -2.596   2.175  -2.226
    9    HA   TRP   3           HA       TRP   3  -1.197   3.268  -4.550
   10    HB2  TRP   3           1HB      TRP   3  -0.693   5.363  -3.479
   11    HB3  TRP   3           2HB      TRP   3  -2.443   5.136  -3.455
   12    HD1  TRP   3           HD       TRP   3   0.447   5.763  -1.174
   13    HE1  TRP   3           1HE      TRP   3  -0.355   5.788   1.273
   14    HE3  TRP   3           3HE      TRP   3  -4.263   3.889  -1.842
   15    HZ2  TRP   3           2HZ      TRP   3  -2.675   5.103   2.726
   16    HZ3  TRP   3           3HZ      TRP   3  -5.709   3.604   0.128
   17    HH2  TRP   3           HH       TRP   3  -4.930   4.199   2.364
   18    HA   PRO   4           HA       PRO   4   2.326   1.373  -2.735
   19    HB2  PRO   4           1HB      PRO   4   4.324   2.954  -3.738
   20    HB3  PRO   4           2HB      PRO   4   3.414   1.802  -4.713
   21    HG2  PRO   4           1HG      PRO   4   3.016   4.759  -4.397
   22    HG3  PRO   4           2HG      PRO   4   3.016   3.762  -5.900
   23    HD2  PRO   4           1HD      PRO   4   0.730   4.615  -4.708
   24    HD3  PRO   4           2HD      PRO   4   0.848   3.061  -5.554
   25    H    VAL   5           H        VAL   5   4.168   1.759  -1.299
   26    HA   VAL   5           HA       VAL   5   4.124   4.286   0.169
   27    HB   VAL   5           HB       VAL   5   4.191   2.970   2.344
   28   HG11  VAL   5          1HG1      VAL   5   1.582   2.804   0.848
   29   HG12  VAL   5          2HG1      VAL   5   1.823   3.004   2.585
   30   HG13  VAL   5          3HG1      VAL   5   2.251   4.309   1.478
   31   HG21  VAL   5          3HG2      VAL   5   3.363   0.765   2.422
   32   HG22  VAL   5          1HG2      VAL   5   2.827   0.824   0.742
   33   HG23  VAL   5          2HG2      VAL   5   4.549   0.773   1.117
   34    HA   PRO   6           HA       PRO   6   8.483   3.723   0.240
   35    HB2  PRO   6           1HB      PRO   6   9.126   5.229   2.435
   36    HB3  PRO   6           2HB      PRO   6   8.618   5.922   0.895
   37    HG2  PRO   6           1HG      PRO   6   7.003   5.382   3.362
   38    HG3  PRO   6           2HG      PRO   6   7.029   6.848   2.316
   39    HD2  PRO   6           1HD      PRO   6   5.069   4.975   2.166
   40    HD3  PRO   6           2HD      PRO   6   5.642   5.876   0.752
   41    H    TYR   7           H        TYR   7   7.246   1.464   1.214
   42    HA   TYR   7           HA       TYR   7   9.184   0.237   2.740
   43    HB2  TYR   7           1HB      TYR   7   7.848  -0.007   4.928
   44    HB3  TYR   7           2HB      TYR   7   8.737   1.495   4.663
   45    HD1  TYR   7           1HD      TYR   7   5.333   0.028   4.289
   46    HD2  TYR   7           2HD      TYR   7   7.654   3.555   4.816
   47    HE1  TYR   7           1HE      TYR   7   3.272   1.327   4.625
   48    HE2  TYR   7           2HE      TYR   7   5.599   4.863   5.154
   49    HH   TYR   7           HH       TYR   7   3.226   4.733   4.619
   50    HA   PRO   8           HA       PRO   8   6.808  -3.236   1.475
   51    HB2  PRO   8           1HB      PRO   8   7.808  -5.151   3.157
   52    HB3  PRO   8           2HB      PRO   8   8.710  -4.483   1.799
   53    HG2  PRO   8           1HG      PRO   8   8.815  -3.737   4.702
   54    HG3  PRO   8           2HG      PRO   8  10.171  -4.011   3.546
   55    HD2  PRO   8           1HD      PRO   8   9.323  -1.531   4.252
   56    HD3  PRO   8           2HD      PRO   8   9.948  -1.905   2.637
   57    HA   PRO   9           HA       PRO   9   5.428  -4.638   1.019
   58    HB2  PRO   9           1HB      PRO   9   2.800  -4.254   0.345
   59    HB3  PRO   9           2HB      PRO   9   3.385  -5.670   1.220
   60    HG2  PRO   9           1HG      PRO   9   2.118  -3.168   2.283
   61    HG3  PRO   9           2HG      PRO   9   1.786  -4.886   2.715
   62    HD2  PRO   9           1HD      PRO   9   3.305  -3.254   4.263
   63    HD3  PRO   9           2HD      PRO   9   3.616  -4.993   4.112
   64    H    PHE  10           H        PHE  10   6.019  -3.428  -0.673
   65    HA   PHE  10           HA       PHE  10   6.061  -0.631  -0.589
   66    HB2  PHE  10           1HB      PHE  10   6.374  -2.551  -2.907
   67    HB3  PHE  10           2HB      PHE  10   6.659  -0.815  -3.038
   68    HD1  PHE  10           2HD      PHE  10   8.383   0.225  -1.436
   69    HD2  PHE  10           1HD      PHE  10   8.113  -3.946  -2.239
   70    HE1  PHE  10           2HE      PHE  10  10.699  -0.071  -0.662
   71    HE2  PHE  10           1HE      PHE  10  10.428  -4.249  -1.464
   72    HZ   PHE  10           HZ       PHE  10  11.726  -2.310  -0.675
   73    H    PHE  11           H        PHE  11   3.567  -2.785  -1.469
   74    HA   PHE  11           HA       PHE  11   2.075  -0.605  -2.774
   75    HB2  PHE  11           1HB      PHE  11   0.593  -2.552  -3.591
   76    HB3  PHE  11           2HB      PHE  11   2.174  -2.339  -4.344
   77    HD1  PHE  11           2HD      PHE  11   4.007  -3.878  -3.903
   78    HD2  PHE  11           1HD      PHE  11   0.156  -4.470  -2.192
   79    HE1  PHE  11           2HE      PHE  11   4.615  -6.196  -3.345
   80    HE2  PHE  11           1HE      PHE  11   0.758  -6.788  -1.629
   81    HZ   PHE  11           HZ       PHE  11   2.990  -7.654  -2.207
   82    H    ASP  12           H        ASP  12   0.461   0.258  -1.661
   83    HA   ASP  12           HA       ASP  12  -0.676  -1.278   0.582
   84    HB2  ASP  12           1HB      ASP  12   0.581   1.044   0.850
   85    HB3  ASP  12           2HB      ASP  12  -1.003   1.684   0.390
   86    H    CYS  13           H        CYS  13  -2.365  -2.299  -0.418
   87    HA   CYS  13           HA       CYS  13  -4.338  -0.595  -1.786
   88    HB2  CYS  13           1HB      CYS  13  -3.352  -2.472  -3.094
   89    HB3  CYS  13           2HB      CYS  13  -4.066  -3.604  -1.931
   90    H    LYS  14           H        LYS  14  -6.171  -0.174  -0.759
   91    HA   LYS  14           HA       LYS  14  -6.972  -1.935   1.463
   92    HB2  LYS  14           1HB      LYS  14  -6.309   0.454   2.000
   93    HB3  LYS  14           2HB      LYS  14  -7.759   0.957   1.115
   94    HG2  LYS  14           1HG      LYS  14  -8.972  -0.711   2.733
   95    HG3  LYS  14           2HG      LYS  14  -7.531  -0.445   3.732
   96    HD2  LYS  14           1HD      LYS  14  -8.777   1.278   4.531
   97    HD3  LYS  14           2HD      LYS  14  -8.091   2.100   3.118
   98    HE2  LYS  14           1HE      LYS  14 -10.294   2.594   2.774
   99    HE3  LYS  14           2HE      LYS  14 -10.212   1.041   1.931
  100    HZ1  LYS  14           3HZ      LYS  14 -11.417  -0.001   3.522
  101    HZ2  LYS  14           1HZ      LYS  14 -12.039   1.556   3.746
  102    HZ3  LYS  14           2HZ      LYS  14 -10.838   0.968   4.780
  103    HA   PRO  15           HA       PRO  15 -10.219  -2.329  -1.827
  104    HB2  PRO  15           1HB      PRO  15 -10.471  -5.045  -1.589
  105    HB3  PRO  15           2HB      PRO  15  -9.274  -4.266  -2.622
  106    HG2  PRO  15           1HG      PRO  15  -8.966  -5.362   0.153
  107    HG3  PRO  15           2HG      PRO  15  -7.887  -5.563  -1.279
  108    HD2  PRO  15           1HD      PRO  15  -7.350  -3.812   0.724
  109    HD3  PRO  15           2HD      PRO  15  -6.923  -3.493  -0.964
  110    H    ASN  16           H        ASN  16 -12.427  -2.709  -1.543
  111    HA   ASN  16           HA       ASN  16 -13.321  -2.635   1.209
  112    HB2  ASN  16           1HB      ASN  16 -15.538  -2.174   0.264
  113    HB3  ASN  16           2HB      ASN  16 -14.314  -1.102  -0.427
  114   HD21  ASN  16          1HD2      ASN  16 -16.975  -2.538  -1.273
  115   HD22  ASN  16          2HD2      ASN  16 -16.631  -3.002  -2.902
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -9.613   1.694  -2.217
    2    HA2  GLY   1           2HA      GLY   1  -7.969   3.699  -3.596
    3    HA3  GLY   1           3HA      GLY   1  -8.236   3.605  -1.861
    4    H    CYS   2           H        CYS   2  -6.229   2.703  -4.475
    5    HA   CYS   2           HA       CYS   2  -4.509   1.190  -2.622
    6    HB2  CYS   2           1HB      CYS   2  -5.146   0.669  -5.519
    7    HB3  CYS   2           2HB      CYS   2  -3.698  -0.002  -4.748
    8    H    TRP   3           H        TRP   3  -2.358   1.672  -2.617
    9    HA   TRP   3           HA       TRP   3  -1.076   3.176  -4.667
   10    HB2  TRP   3           1HB      TRP   3  -0.720   5.260  -3.550
   11    HB3  TRP   3           2HB      TRP   3  -2.456   4.944  -3.530
   12    HD1  TRP   3           HD       TRP   3   0.443   5.559  -1.223
   13    HE1  TRP   3           1HE      TRP   3  -0.371   5.520   1.218
   14    HE3  TRP   3           3HE      TRP   3  -4.264   3.705  -1.966
   15    HZ2  TRP   3           2HZ      TRP   3  -2.699   4.797   2.641
   16    HZ3  TRP   3           3HZ      TRP   3  -5.721   3.368  -0.012
   17    HH2  TRP   3           HH       TRP   3  -4.953   3.904   2.244
   18    HA   PRO   4           HA       PRO   4   2.446   1.359  -2.776
   19    HB2  PRO   4           1HB      PRO   4   4.417   3.044  -3.652
   20    HB3  PRO   4           2HB      PRO   4   3.590   1.891  -4.696
   21    HG2  PRO   4           1HG      PRO   4   3.067   4.819  -4.308
   22    HG3  PRO   4           2HG      PRO   4   3.162   3.869  -5.839
   23    HD2  PRO   4           1HD      PRO   4   0.802   4.598  -4.711
   24    HD3  PRO   4           2HD      PRO   4   1.011   3.078  -5.597
   25    H    VAL   5           H        VAL   5   4.156   1.723  -1.214
   26    HA   VAL   5           HA       VAL   5   3.964   4.212   0.320
   27    HB   VAL   5           HB       VAL   5   4.027   2.821   2.445
   28   HG11  VAL   5          1HG1      VAL   5   1.632   3.032   0.658
   29   HG12  VAL   5          2HG1      VAL   5   1.502   2.323   2.269
   30   HG13  VAL   5          3HG1      VAL   5   2.049   3.989   2.079
   31   HG21  VAL   5          3HG2      VAL   5   3.333   0.569   2.414
   32   HG22  VAL   5          1HG2      VAL   5   2.847   0.659   0.721
   33   HG23  VAL   5          2HG2      VAL   5   4.556   0.695   1.151
   34    HA   PRO   6           HA       PRO   6   8.340   3.884   0.534
   35    HB2  PRO   6           1HB      PRO   6   8.824   5.309   2.822
   36    HB3  PRO   6           2HB      PRO   6   8.329   6.050   1.302
   37    HG2  PRO   6           1HG      PRO   6   6.664   5.295   3.680
   38    HG3  PRO   6           2HG      PRO   6   6.643   6.814   2.710
   39    HD2  PRO   6           1HD      PRO   6   4.799   4.847   2.394
   40    HD3  PRO   6           2HD      PRO   6   5.367   5.849   1.049
   41    H    TYR   7           H        TYR   7   7.194   1.514   1.351
   42    HA   TYR   7           HA       TYR   7   9.148   0.315   2.881
   43    HB2  TYR   7           1HB      TYR   7   7.755  -0.109   5.008
   44    HB3  TYR   7           2HB      TYR   7   8.576   1.445   4.848
   45    HD1  TYR   7           1HD      TYR   7   5.262  -0.161   4.274
   46    HD2  TYR   7           2HD      TYR   7   7.388   3.437   5.076
   47    HE1  TYR   7           1HE      TYR   7   3.130   1.019   4.603
   48    HE2  TYR   7           2HE      TYR   7   5.262   4.626   5.408
   49    HH   TYR   7           HH       TYR   7   2.632   3.527   6.137
   50    HA   PRO   8           HA       PRO   8   7.004  -3.213   1.379
   51    HB2  PRO   8           1HB      PRO   8   8.034  -5.152   3.018
   52    HB3  PRO   8           2HB      PRO   8   8.953  -4.379   1.728
   53    HG2  PRO   8           1HG      PRO   8   8.906  -3.763   4.662
   54    HG3  PRO   8           2HG      PRO   8  10.318  -3.916   3.553
   55    HD2  PRO   8           1HD      PRO   8   9.316  -1.514   4.329
   56    HD3  PRO   8           2HD      PRO   8  10.023  -1.785   2.727
   57    HA   PRO   9           HA       PRO   9   5.716  -4.660   0.805
   58    HB2  PRO   9           1HB      PRO   9   3.102  -4.376   0.040
   59    HB3  PRO   9           2HB      PRO   9   3.723  -5.800   0.875
   60    HG2  PRO   9           1HG      PRO   9   2.290  -3.412   1.992
   61    HG3  PRO   9           2HG      PRO   9   2.027  -5.163   2.334
   62    HD2  PRO   9           1HD      PRO   9   3.399  -3.532   4.015
   63    HD3  PRO   9           2HD      PRO   9   3.804  -5.244   3.801
   64    H    PHE  10           H        PHE  10   6.311  -3.346  -0.806
   65    HA   PHE  10           HA       PHE  10   6.207  -0.558  -0.599
   66    HB2  PHE  10           1HB      PHE  10   6.709  -2.353  -2.984
   67    HB3  PHE  10           2HB      PHE  10   6.911  -0.600  -3.026
   68    HD1  PHE  10           2HD      PHE  10   8.392   0.349  -1.005
   69    HD2  PHE  10           1HD      PHE  10   8.613  -3.587  -2.608
   70    HE1  PHE  10           2HE      PHE  10  10.687   0.132  -0.146
   71    HE2  PHE  10           1HE      PHE  10  10.908  -3.811  -1.751
   72    HZ   PHE  10           HZ       PHE  10  11.949  -1.950  -0.519
   73    H    PHE  11           H        PHE  11   3.865  -2.791  -1.683
   74    HA   PHE  11           HA       PHE  11   2.311  -0.625  -2.937
   75    HB2  PHE  11           1HB      PHE  11   0.981  -2.597  -3.930
   76    HB3  PHE  11           2HB      PHE  11   2.577  -2.252  -4.599
   77    HD1  PHE  11           1HD      PHE  11   4.489  -3.697  -4.123
   78    HD2  PHE  11           2HD      PHE  11   0.585  -4.632  -2.710
   79    HE1  PHE  11           1HE      PHE  11   5.209  -6.007  -3.673
   80    HE2  PHE  11           2HE      PHE  11   1.299  -6.944  -2.257
   81    HZ   PHE  11           HZ       PHE  11   3.614  -7.633  -2.738
   82    H    ASP  12           H        ASP  12   0.591   0.071  -1.866
   83    HA   ASP  12           HA       ASP  12  -0.521  -1.633   0.261
   84    HB2  ASP  12           1HB      ASP  12   0.521   0.776   0.651
   85    HB3  ASP  12           2HB      ASP  12  -1.091   1.295   0.137
   86    H    CYS  13           H        CYS  13  -2.841  -1.499   0.635
   87    HA   CYS  13           HA       CYS  13  -4.508  -0.449  -1.479
   88    HB2  CYS  13           1HB      CYS  13  -3.884  -3.342  -1.199
   89    HB3  CYS  13           2HB      CYS  13  -5.564  -2.908  -1.559
   90    H    LYS  14           H        LYS  14  -6.611  -0.138  -0.846
   91    HA   LYS  14           HA       LYS  14  -7.496  -1.262   1.701
   92    HB2  LYS  14           1HB      LYS  14  -6.359   1.014   2.026
   93    HB3  LYS  14           2HB      LYS  14  -7.762   1.693   1.186
   94    HG2  LYS  14           1HG      LYS  14  -9.216   0.579   2.915
   95    HG3  LYS  14           2HG      LYS  14  -7.726   0.214   3.803
   96    HD2  LYS  14           1HD      LYS  14  -7.232   2.504   4.140
   97    HD3  LYS  14           2HD      LYS  14  -8.440   3.008   2.946
   98    HE2  LYS  14           1HE      LYS  14  -9.815   1.461   4.872
   99    HE3  LYS  14           2HE      LYS  14  -8.753   2.564   5.759
  100    HZ1  LYS  14           3HZ      LYS  14  -9.700   4.421   4.563
  101    HZ2  LYS  14           1HZ      LYS  14 -10.931   3.541   5.320
  102    HZ3  LYS  14           2HZ      LYS  14 -10.681   3.386   3.654
  103    HA   PRO  15           HA       PRO  15 -10.750  -1.142  -1.632
  104    HB2  PRO  15           1HB      PRO  15 -11.445  -3.781  -1.403
  105    HB3  PRO  15           2HB      PRO  15 -10.141  -3.205  -2.439
  106    HG2  PRO  15           1HG      PRO  15 -10.004  -4.350   0.329
  107    HG3  PRO  15           2HG      PRO  15  -8.981  -4.719  -1.109
  108    HD2  PRO  15           1HD      PRO  15  -8.153  -3.089   0.899
  109    HD3  PRO  15           2HD      PRO  15  -7.686  -2.839  -0.791
  110    H    ASN  16           H        ASN  16 -12.965  -1.068  -1.315
  111    HA   ASN  16           HA       ASN  16 -14.840  -0.600  -0.095
  112    HB2  ASN  16           1HB      ASN  16 -15.808  -2.465   0.881
  113    HB3  ASN  16           2HB      ASN  16 -14.592  -3.202  -0.169
  114   HD21  ASN  16          1HD2      ASN  16 -13.131  -4.518   0.694
  115   HD22  ASN  16          2HD2      ASN  16 -12.875  -4.753   2.386
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -9.929   2.460  -3.163
    2    HA2  GLY   1           2HA      GLY   1  -7.900   3.781  -3.250
    3    HA3  GLY   1           3HA      GLY   1  -8.263   3.480  -1.557
    4    H    CYS   2           H        CYS   2  -6.152   2.771  -4.210
    5    HA   CYS   2           HA       CYS   2  -4.357   1.367  -2.345
    6    HB2  CYS   2           1HB      CYS   2  -5.356  -0.203  -3.959
    7    HB3  CYS   2           2HB      CYS   2  -4.705   0.766  -5.291
    8    H    TRP   3           H        TRP   3  -2.143   1.762  -2.577
    9    HA   TRP   3           HA       TRP   3  -1.036   3.368  -4.629
   10    HB2  TRP   3           1HB      TRP   3  -0.647   5.435  -3.483
   11    HB3  TRP   3           2HB      TRP   3  -2.372   5.089  -3.386
   12    HD1  TRP   3           HD       TRP   3   0.686   5.533  -1.199
   13    HE1  TRP   3           1HE      TRP   3  -0.029   5.495   1.274
   14    HE3  TRP   3           3HE      TRP   3  -4.165   4.024  -1.778
   15    HZ2  TRP   3           2HZ      TRP   3  -2.342   4.904   2.779
   16    HZ3  TRP   3           3HZ      TRP   3  -5.560   3.746   0.229
   17    HH2  TRP   3           HH       TRP   3  -4.666   4.177   2.459
   18    HA   PRO   4           HA       PRO   4   2.627   1.582  -2.989
   19    HB2  PRO   4           1HB      PRO   4   4.510   3.316  -3.965
   20    HB3  PRO   4           2HB      PRO   4   3.639   2.160  -4.970
   21    HG2  PRO   4           1HG      PRO   4   3.090   5.073  -4.508
   22    HG3  PRO   4           2HG      PRO   4   3.105   4.146  -6.055
   23    HD2  PRO   4           1HD      PRO   4   0.809   4.817  -4.772
   24    HD3  PRO   4           2HD      PRO   4   0.988   3.312  -5.689
   25    H    VAL   5           H        VAL   5   4.074   1.751  -1.295
   26    HA   VAL   5           HA       VAL   5   4.126   4.299   0.177
   27    HB   VAL   5           HB       VAL   5   4.168   2.871   2.297
   28   HG11  VAL   5          1HG1      VAL   5   1.603   2.942   0.712
   29   HG12  VAL   5          2HG1      VAL   5   1.755   2.860   2.469
   30   HG13  VAL   5          3HG1      VAL   5   2.283   4.303   1.602
   31   HG21  VAL   5          3HG2      VAL   5   2.655   0.841   0.714
   32   HG22  VAL   5          1HG2      VAL   5   4.415   0.753   0.788
   33   HG23  VAL   5          2HG2      VAL   5   3.465   0.675   2.272
   34    HA   PRO   6           HA       PRO   6   8.487   3.734   0.273
   35    HB2  PRO   6           1HB      PRO   6   9.097   5.260   2.462
   36    HB3  PRO   6           2HB      PRO   6   8.612   5.939   0.909
   37    HG2  PRO   6           1HG      PRO   6   6.958   5.419   3.357
   38    HG3  PRO   6           2HG      PRO   6   7.001   6.878   2.299
   39    HD2  PRO   6           1HD      PRO   6   5.043   5.006   2.133
   40    HD3  PRO   6           2HD      PRO   6   5.639   5.893   0.722
   41    H    TYR   7           H        TYR   7   7.241   1.481   1.240
   42    HA   TYR   7           HA       TYR   7   9.155   0.278   2.819
   43    HB2  TYR   7           1HB      TYR   7   7.777   0.036   4.977
   44    HB3  TYR   7           2HB      TYR   7   8.641   1.553   4.719
   45    HD1  TYR   7           2HD      TYR   7   5.279   0.005   4.335
   46    HD2  TYR   7           1HD      TYR   7   7.513   3.599   4.777
   47    HE1  TYR   7           2HE      TYR   7   3.185   1.266   4.613
   48    HE2  TYR   7           1HE      TYR   7   5.425   4.869   5.057
   49    HH   TYR   7           HH       TYR   7   3.104   4.468   5.738
   50    HA   PRO   8           HA       PRO   8   6.839  -3.213   1.494
   51    HB2  PRO   8           1HB      PRO   8   7.845  -5.124   3.177
   52    HB3  PRO   8           2HB      PRO   8   8.753  -4.437   1.832
   53    HG2  PRO   8           1HG      PRO   8   8.817  -3.707   4.740
   54    HG3  PRO   8           2HG      PRO   8  10.189  -3.955   3.597
   55    HD2  PRO   8           1HD      PRO   8   9.300  -1.491   4.305
   56    HD3  PRO   8           2HD      PRO   8   9.948  -1.848   2.696
   57    HA   PRO   9           HA       PRO   9   5.488  -4.642   1.019
   58    HB2  PRO   9           1HB      PRO   9   2.862  -4.300   0.315
   59    HB3  PRO   9           2HB      PRO   9   3.460  -5.708   1.194
   60    HG2  PRO   9           1HG      PRO   9   2.141  -3.226   2.245
   61    HG3  PRO   9           2HG      PRO   9   1.830  -4.951   2.671
   62    HD2  PRO   9           1HD      PRO   9   3.305  -3.297   4.239
   63    HD3  PRO   9           2HD      PRO   9   3.645  -5.030   4.090
   64    H    PHE  10           H        PHE  10   6.075  -3.422  -0.667
   65    HA   PHE  10           HA       PHE  10   6.072  -0.624  -0.580
   66    HB2  PHE  10           1HB      PHE  10   6.445  -2.535  -2.896
   67    HB3  PHE  10           2HB      PHE  10   6.706  -0.794  -3.019
   68    HD1  PHE  10           2HD      PHE  10   8.499   0.297  -1.689
   69    HD2  PHE  10           1HD      PHE  10   8.090  -3.934  -1.910
   70    HE1  PHE  10           2HE      PHE  10  10.810   0.035  -0.884
   71    HE2  PHE  10           1HE      PHE  10  10.399  -4.203  -1.105
   72    HZ   PHE  10           HZ       PHE  10  11.763  -2.217  -0.592
   73    H    PHE  11           H        PHE  11   3.628  -2.820  -1.497
   74    HA   PHE  11           HA       PHE  11   2.094  -0.640  -2.753
   75    HB2  PHE  11           1HB      PHE  11   0.723  -2.579  -3.746
   76    HB3  PHE  11           2HB      PHE  11   2.321  -2.267  -4.427
   77    HD1  PHE  11           2HD      PHE  11   0.358  -4.553  -2.343
   78    HD2  PHE  11           1HD      PHE  11   4.135  -3.813  -4.160
   79    HE1  PHE  11           2HE      PHE  11   1.020  -6.881  -1.905
   80    HE2  PHE  11           1HE      PHE  11   4.803  -6.141  -3.726
   81    HZ   PHE  11           HZ       PHE  11   3.245  -7.678  -2.596
   82    H    ASP  12           H        ASP  12   0.362   0.048  -1.690
   83    HA   ASP  12           HA       ASP  12  -0.813  -1.713   0.362
   84    HB2  ASP  12           1HB      ASP  12   0.490   0.511   0.994
   85    HB3  ASP  12           2HB      ASP  12  -1.059   1.255   0.577
   86    H    CYS  13           H        CYS  13  -2.740  -2.408  -0.264
   87    HA   CYS  13           HA       CYS  13  -4.495  -0.546  -1.727
   88    HB2  CYS  13           1HB      CYS  13  -4.360  -3.556  -1.973
   89    HB3  CYS  13           2HB      CYS  13  -5.486  -2.502  -2.846
   90    H    LYS  14           H        LYS  14  -6.301  -0.019  -0.700
   91    HA   LYS  14           HA       LYS  14  -7.466  -1.927   1.208
   92    HB2  LYS  14           1HB      LYS  14  -6.108  -0.064   2.312
   93    HB3  LYS  14           2HB      LYS  14  -7.371   1.038   1.743
   94    HG2  LYS  14           1HG      LYS  14  -8.938  -0.747   2.947
   95    HG3  LYS  14           2HG      LYS  14  -7.457  -1.002   3.887
   96    HD2  LYS  14           1HD      LYS  14  -8.432   0.668   5.125
   97    HD3  LYS  14           2HD      LYS  14  -7.460   1.630   3.998
   98    HE2  LYS  14           1HE      LYS  14  -9.567   1.627   2.499
   99    HE3  LYS  14           2HE      LYS  14 -10.414   1.117   3.967
  100    HZ1  LYS  14           3HZ      LYS  14 -10.304   3.159   4.821
  101    HZ2  LYS  14           1HZ      LYS  14  -9.908   3.680   3.260
  102    HZ3  LYS  14           2HZ      LYS  14  -8.683   3.371   4.386
  103    HA   PRO  15           HA       PRO  15 -10.589  -0.340  -1.849
  104    HB2  PRO  15           1HB      PRO  15 -11.611  -2.806  -2.459
  105    HB3  PRO  15           2HB      PRO  15 -10.216  -2.103  -3.273
  106    HG2  PRO  15           1HG      PRO  15 -10.307  -4.070  -1.011
  107    HG3  PRO  15           2HG      PRO  15  -9.292  -4.093  -2.503
  108    HD2  PRO  15           1HD      PRO  15  -8.332  -3.297  -0.092
  109    HD3  PRO  15           2HD      PRO  15  -7.785  -2.588  -1.620
  110    H    ASN  16           H        ASN  16 -12.835  -0.198  -1.573
  111    HA   ASN  16           HA       ASN  16 -13.750  -0.916   1.109
  112    HB2  ASN  16           1HB      ASN  16 -13.936   1.443  -0.001
  113    HB3  ASN  16           2HB      ASN  16 -15.335   0.745  -0.826
  114   HD21  ASN  16          1HD2      ASN  16 -14.189   2.160   2.019
  115   HD22  ASN  16          2HD2      ASN  16 -15.608   1.954   2.983
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -8.902   1.199  -3.111
    2    HA2  GLY   1           2HA      GLY   1  -7.929   3.705  -3.350
    3    HA3  GLY   1           3HA      GLY   1  -8.210   3.579  -1.618
    4    H    CYS   2           H        CYS   2  -6.134   2.801  -4.216
    5    HA   CYS   2           HA       CYS   2  -4.352   1.383  -2.350
    6    HB2  CYS   2           1HB      CYS   2  -5.350  -0.193  -3.958
    7    HB3  CYS   2           2HB      CYS   2  -4.700   0.773  -5.293
    8    H    TRP   3           H        TRP   3  -2.139   1.775  -2.577
    9    HA   TRP   3           HA       TRP   3  -1.025   3.372  -4.634
   10    HB2  TRP   3           1HB      TRP   3  -0.631   5.441  -3.493
   11    HB3  TRP   3           2HB      TRP   3  -2.359   5.099  -3.395
   12    HD1  TRP   3           HD       TRP   3   0.700   5.543  -1.209
   13    HE1  TRP   3           1HE      TRP   3  -0.014   5.510   1.263
   14    HE3  TRP   3           3HE      TRP   3  -4.152   4.037  -1.783
   15    HZ2  TRP   3           2HZ      TRP   3  -2.326   4.923   2.772
   16    HZ3  TRP   3           3HZ      TRP   3  -5.547   3.764   0.224
   17    HH2  TRP   3           HH       TRP   3  -4.652   4.198   2.453
   18    HA   PRO   4           HA       PRO   4   2.632   1.579  -2.990
   19    HB2  PRO   4           1HB      PRO   4   4.520   3.304  -3.971
   20    HB3  PRO   4           2HB      PRO   4   3.645   2.148  -4.972
   21    HG2  PRO   4           1HG      PRO   4   3.105   5.063  -4.519
   22    HG3  PRO   4           2HG      PRO   4   3.117   4.132  -6.063
   23    HD2  PRO   4           1HD      PRO   4   0.824   4.814  -4.781
   24    HD3  PRO   4           2HD      PRO   4   0.998   3.306  -5.695
   25    H    VAL   5           H        VAL   5   4.088   1.751  -1.300
   26    HA   VAL   5           HA       VAL   5   4.145   4.303   0.164
   27    HB   VAL   5           HB       VAL   5   4.182   2.884   2.289
   28   HG11  VAL   5          1HG1      VAL   5   2.088   3.591   2.563
   29   HG12  VAL   5          2HG1      VAL   5   2.117   4.071   0.866
   30   HG13  VAL   5          3HG1      VAL   5   1.481   2.492   1.326
   31   HG21  VAL   5          3HG2      VAL   5   3.466   0.691   2.272
   32   HG22  VAL   5          1HG2      VAL   5   2.666   0.854   0.709
   33   HG23  VAL   5          2HG2      VAL   5   4.425   0.758   0.793
   34    HA   PRO   6           HA       PRO   6   8.504   3.722   0.261
   35    HB2  PRO   6           1HB      PRO   6   9.120   5.252   2.449
   36    HB3  PRO   6           2HB      PRO   6   8.638   5.927   0.894
   37    HG2  PRO   6           1HG      PRO   6   6.981   5.423   3.343
   38    HG3  PRO   6           2HG      PRO   6   7.031   6.877   2.280
   39    HD2  PRO   6           1HD      PRO   6   5.065   5.011   2.120
   40    HD3  PRO   6           2HD      PRO   6   5.665   5.892   0.705
   41    H    TYR   7           H        TYR   7   7.250   1.477   1.235
   42    HA   TYR   7           HA       TYR   7   9.159   0.270   2.817
   43    HB2  TYR   7           1HB      TYR   7   7.781   0.039   4.975
   44    HB3  TYR   7           2HB      TYR   7   8.651   1.552   4.714
   45    HD1  TYR   7           1HD      TYR   7   5.283   0.017   4.332
   46    HD2  TYR   7           2HD      TYR   7   7.531   3.603   4.768
   47    HE1  TYR   7           1HE      TYR   7   3.194   1.286   4.607
   48    HE2  TYR   7           2HE      TYR   7   5.448   4.881   5.046
   49    HH   TYR   7           HH       TYR   7   3.182   4.617   5.587
   50    HA   PRO   8           HA       PRO   8   6.829  -3.215   1.503
   51    HB2  PRO   8           1HB      PRO   8   7.824  -5.126   3.193
   52    HB3  PRO   8           2HB      PRO   8   8.737  -4.447   1.847
   53    HG2  PRO   8           1HG      PRO   8   8.802  -3.706   4.752
   54    HG3  PRO   8           2HG      PRO   8  10.174  -3.966   3.611
   55    HD2  PRO   8           1HD      PRO   8   9.297  -1.494   4.310
   56    HD3  PRO   8           2HD      PRO   8   9.943  -1.860   2.702
   57    HA   PRO   9           HA       PRO   9   5.471  -4.640   1.034
   58    HB2  PRO   9           1HB      PRO   9   2.847  -4.290   0.328
   59    HB3  PRO   9           2HB      PRO   9   3.438  -5.697   1.211
   60    HG2  PRO   9           1HG      PRO   9   2.129  -3.206   2.254
   61    HG3  PRO   9           2HG      PRO   9   1.812  -4.928   2.685
   62    HD2  PRO   9           1HD      PRO   9   3.293  -3.275   4.248
   63    HD3  PRO   9           2HD      PRO   9   3.626  -5.010   4.105
   64    H    PHE  10           H        PHE  10   6.064  -3.428  -0.656
   65    HA   PHE  10           HA       PHE  10   6.074  -0.629  -0.579
   66    HB2  PHE  10           1HB      PHE  10   6.437  -2.549  -2.889
   67    HB3  PHE  10           2HB      PHE  10   6.707  -0.810  -3.017
   68    HD1  PHE  10           1HD      PHE  10   8.351   0.222  -1.265
   69    HD2  PHE  10           2HD      PHE  10   8.231  -3.899  -2.324
   70    HE1  PHE  10           1HE      PHE  10  10.660  -0.049  -0.459
   71    HE2  PHE  10           2HE      PHE  10  10.539  -4.177  -1.518
   72    HZ   PHE  10           HZ       PHE  10  11.756  -2.251  -0.584
   73    H    PHE  11           H        PHE  11   3.619  -2.818  -1.489
   74    HA   PHE  11           HA       PHE  11   2.094  -0.632  -2.747
   75    HB2  PHE  11           1HB      PHE  11   0.720  -2.565  -3.747
   76    HB3  PHE  11           2HB      PHE  11   2.320  -2.257  -4.425
   77    HD1  PHE  11           1HD      PHE  11   0.330  -4.551  -2.385
   78    HD2  PHE  11           2HD      PHE  11   4.144  -3.799  -4.119
   79    HE1  PHE  11           1HE      PHE  11   0.984  -6.883  -1.948
   80    HE2  PHE  11           2HE      PHE  11   4.804  -6.129  -3.686
   81    HZ   PHE  11           HZ       PHE  11   3.223  -7.675  -2.601
   82    H    ASP  12           H        ASP  12   0.361   0.057  -1.686
   83    HA   ASP  12           HA       ASP  12  -0.820  -1.705   0.361
   84    HB2  ASP  12           1HB      ASP  12   0.487   0.515   1.000
   85    HB3  ASP  12           2HB      ASP  12  -1.059   1.263   0.583
   86    H    CYS  13           H        CYS  13  -2.750  -2.392  -0.263
   87    HA   CYS  13           HA       CYS  13  -4.498  -0.525  -1.727
   88    HB2  CYS  13           1HB      CYS  13  -4.379  -3.536  -1.972
   89    HB3  CYS  13           2HB      CYS  13  -5.491  -2.474  -2.852
   90    H    LYS  14           H        LYS  14  -6.303   0.007  -0.703
   91    HA   LYS  14           HA       LYS  14  -7.368  -1.844   1.328
   92    HB2  LYS  14           1HB      LYS  14  -6.231   0.335   2.138
   93    HB3  LYS  14           2HB      LYS  14  -7.679   1.140   1.517
   94    HG2  LYS  14           1HG      LYS  14  -8.784  -0.849   3.012
   95    HG3  LYS  14           2HG      LYS  14  -7.313  -0.477   3.929
   96    HD2  LYS  14           1HD      LYS  14  -9.188   1.684   2.974
   97    HD3  LYS  14           2HD      LYS  14  -9.422   0.840   4.516
   98    HE2  LYS  14           1HE      LYS  14  -7.193   1.535   5.260
   99    HE3  LYS  14           2HE      LYS  14  -6.936   2.349   3.710
  100    HZ1  LYS  14           3HZ      LYS  14  -8.397   4.018   4.235
  101    HZ2  LYS  14           1HZ      LYS  14  -7.751   3.684   5.762
  102    HZ3  LYS  14           2HZ      LYS  14  -9.272   3.079   5.337
  103    HA   PRO  15           HA       PRO  15 -10.587  -1.000  -1.917
  104    HB2  PRO  15           1HB      PRO  15 -11.334  -3.620  -2.207
  105    HB3  PRO  15           2HB      PRO  15 -10.005  -2.881  -3.101
  106    HG2  PRO  15           1HG      PRO  15  -9.927  -4.540  -0.603
  107    HG3  PRO  15           2HG      PRO  15  -8.891  -4.646  -2.075
  108    HD2  PRO  15           1HD      PRO  15  -8.063  -3.452   0.217
  109    HD3  PRO  15           2HD      PRO  15  -7.567  -2.889  -1.388
  110    H    ASN  16           H        ASN  16 -12.765  -0.827  -1.555
  111    HA   ASN  16           HA       ASN  16 -13.781  -1.936   0.979
  112    HB2  ASN  16           1HB      ASN  16 -15.154   0.059   1.260
  113    HB3  ASN  16           2HB      ASN  16 -13.448   0.506   1.119
  114   HD21  ASN  16          1HD2      ASN  16 -12.695   1.237  -0.986
  115   HD22  ASN  16          2HD2      ASN  16 -13.782   2.112  -2.005