*HEADER    PEPTIDE BINDING PROTEIN                 18-MAR-15   2N0X              
*TITLE     THREE DIMENSIONAL STRUCTURE OF EPI-X4, A HUMAN ALBUMIN-DERIVED PEPTIDE
*TITLE    2 THAT REGULATES INNATE IMMUNITY THROUGH THE CXCR4/CXCL12 CHEMOTACTIC  
*TITLE    3 AXIS AND ANTAGONIZES HIV-1 ENTRY                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERUM ALBUMIN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ALBUMIN 3 DOMAIN RESIDUES 432-447                          
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ANTAGONIST, INHIBITOR PEPTIDE, PEPTIDE BINDING PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.PEREZ-CASTELLS, A.CANALES, J.JIMENEZ-BARBERO, G.GIMENEZ-GALLEGO     
*REVDAT   1   29-APR-15 2N0X    0                                                


 10 GLN  HB2    12 SER  H       5.14            #peak     2 #SUP  1.00
 10 GLN  HB3    12 SER  H       5.14            #peak     3 #SUP  1.00
 11 VAL  HB     12 SER  H       5.41            #peak     3 #SUP  1.00
 10 GLN  H      10 GLN  QG      5.50            #peak     4 #SUP  1.00
 10 GLN  QG     12 SER  H       5.50            #peak     4 #SUP  1.00
  5 THR  H      13 THR  QG2     5.50            #peak    10 #SUP  1.00  #QF  0.89
 13 THR  H      13 THR  QG2     5.50            #peak    10 #SUP  1.00  #QF  0.89
 15 THR  H      15 THR  QG2     4.92            #peak    14 #SUP  1.00
  7 LYS  H       7 LYS  QG      5.50            #peak    35 #SUP  1.00
  6 LYS  QG      7 LYS  H       5.50            #peak    36 #SUP  1.00  #QF  0.40
  7 LYS  H       7 LYS  QD      5.50            #peak    36 #SUP  1.00  #QF  0.40
  6 LYS  H       6 LYS  QG      5.50            #peak    40 #SUP  1.00
  6 LYS  H       6 LYS  QD      5.50            #peak    41 #SUP  1.00
  6 LYS  H       6 LYS  QE      5.50            #peak    45 #SUP  0.95  #QF  0.92
  7 LYS  HA      7 LYS  QE      3.75            #peak    48 #SUP  0.89  #QF  0.89
  6 LYS  HA      6 LYS  QE      3.08            #peak    49 #SUP  0.79  #QF  0.79
  6 LYS  HB2     6 LYS  QG      2.97            #peak    73 #SUP  0.99  #QF  0.30
  7 LYS  HB2     7 LYS  QG      2.88            #peak    74 #SUP  0.98  #QF  0.98
  3 ARG  H       3 ARG  HG2     5.50            #peak    77 #SUP  1.00
  3 ARG  H       3 ARG  HG3     5.50            #peak    78 #SUP  1.00
  3 ARG  HA      3 ARG  QD      4.33            #peak    85 #SUP  0.91  #QF  0.91
  7 LYS  HB3     8 VAL  H       3.86            #peak    96 #SUP  0.95  #QF  0.95
  8 VAL  H       8 VAL  QG2     4.08            #peak    97 #SUP  1.00
 10 GLN  HB3    11 VAL  H       5.15            #peak    99 #SUP  1.00  #QF  0.65
  9 PRO  HA     10 GLN  H       3.11            #peak   102 #SUP  0.63  #QF  0.63
 11 VAL  HA     11 VAL  QQG     3.03            #peak   124 #SUP  0.96  #QF  0.96
 14 PRO  HA     15 THR  H       3.18            #peak   129 #SUP  0.78  #QF  0.78
 12 SER  HA     13 THR  H       3.36            #peak   130 #SUP  0.89  #QF  0.89
 11 VAL  QQG    12 SER  H       4.97            #peak   135 #SUP  0.98  #QF  0.31
  8 VAL  H       9 PRO  HD2     5.50            #peak   136 #SUP  1.00
  5 THR  H       5 THR  QG2     5.50            #peak   140 #SUP  0.99  #QF  0.98
 15 THR  HA     16 LEU  H       2.92            #peak   141 #SUP  0.69  #QF  0.69
 13 THR  HA     13 THR  HB      2.92            #peak   147 #SUP  0.97  #QF  0.97
  2 VAL  HB      3 ARG  H       5.50            #peak   152 #SUP  1.00
  2 VAL  H       2 VAL  QQG     5.50            #peak   154 #SUP  1.00  #QF  0.28
  4 TYR  H       5 THR  H       5.50            #peak   158 #SUP  0.94  #QF  0.94
  8 VAL  H       8 VAL  HB      2.86            #peak   161 #SUP  0.80  #QF  0.80
  1 LEU  QB      1 LEU  QD1     2.87            #peak   173 #SUP  0.99  #QF  0.99
  1 LEU  QB      1 LEU  QD2     2.87            #peak   175 #SUP  0.99  #QF  0.99
  1 LEU  HA      1 LEU  QD1     4.28            #peak   178 #SUP  0.98  #QF  0.98
  1 LEU  HA      1 LEU  QD2     4.28            #peak   179 #SUP  0.99  #QF  0.99
  1 LEU  HA      2 VAL  QQG     4.66            #peak   179 #SUP  0.99  #QF  0.99
  1 LEU  QD1     4 TYR  QD      4.65            #peak   182 #SUP  1.00
  1 LEU  QD2     4 TYR  QD      4.65            #peak   183 #SUP  0.99  #QF  0.99
  1 LEU  QD1     4 TYR  QE      5.50            #peak   185 #SUP  0.99  #QF  0.99
  1 LEU  QD2     4 TYR  QE      5.50            #peak   186 #SUP  0.99  #QF  0.99
  1 LEU  QB      4 TYR  QE      5.50            #peak   187 #SUP  0.99  #QF  0.99
  3 ARG  HB3     4 TYR  QE      4.77            #peak   188 #SUP  0.97  #QF  0.97
  3 ARG  HA      3 ARG  HG3     3.65            #peak   203 #SUP  0.93  #QF  0.93
  3 ARG  HA      3 ARG  HG2     3.65            #peak   204 #SUP  0.88  #QF  0.88
  3 ARG  HB2     4 TYR  QE      4.77            #peak   207 #SUP  0.92  #QF  0.92
  3 ARG  HA      4 TYR  QD      5.29            #peak   209 #SUP  0.97  #QF  0.97
  4 TYR  HA      4 TYR  QD      3.17            #peak   210 #SUP  0.62  #QF  0.62
  4 TYR  QD      9 PRO  HD3     5.11            #peak   212 #SUP  0.98  #QF  0.98
  4 TYR  QE      9 PRO  HD3     5.50            #peak   213 #SUP  0.97  #QF  0.97
 13 THR  HA     13 THR  QG2     2.84            #peak   224 #SUP  0.88  #QF  0.88
  7 LYS  QG      7 LYS  QD      2.40            #peak   227 #SUP  1.00
  7 LYS  HB3     7 LYS  QG      2.88            #peak   231 #SUP  0.98  #QF  0.98
  7 LYS  QG      7 LYS  QE      3.82            #peak   233 #SUP  0.98  #QF  0.98
  7 LYS  HA      7 LYS  QD      3.79            #peak   240 #SUP  0.91  #QF  0.91
  7 LYS  HA      7 LYS  QG      3.63            #peak   241 #SUP  0.70  #QF  0.70
  6 LYS  HB3     6 LYS  QG      2.97            #peak   246 #SUP  0.98  #QF  0.98
  6 LYS  QG      6 LYS  QD      2.40            #peak   247 #SUP  1.00
  6 LYS  HA      6 LYS  QD      3.63            #peak   255 #SUP  0.98  #QF  0.98
  6 LYS  HA      6 LYS  QG      3.45            #peak   256 #SUP  0.98  #QF  0.98
  7 LYS  HA      8 VAL  HB      5.50            #peak   260 #SUP  0.99  #QF  0.99
 16 LEU  H      16 LEU  QQD     4.73            #peak   265 #SUP  0.97  #QF  0.97
 10 GLN  HA     10 GLN  QG      3.86            #peak   294 #SUP  0.99  #QF  0.99
 11 VAL  H      11 VAL  HB      3.68            #peak   303 #SUP  0.92  #QF  0.88
 12 SER  QB     13 THR  H       4.56            #peak   305 #SUP  0.75  #QF  0.22
  7 LYS  QD      8 VAL  H       5.50            #peak   352 #SUP  1.00
  7 LYS  HB2     8 VAL  H       3.86            #peak   353 #SUP  0.98  #QF  0.98
  7 LYS  HA      8 VAL  H       2.85            #peak   355 #SUP  0.92  #QF  0.92
 14 PRO  HA     16 LEU  H       5.50            #peak   358 #SUP  0.97  #QF  0.97
  8 VAL  HA      9 PRO  HD3     2.40            #peak   359 #SUP  0.85  #QF  0.85
  8 VAL  HA      9 PRO  HD2     2.41            #peak   360 #SUP  0.99  #QF  0.99
  5 THR  HA     14 PRO  HD2     3.46            #peak   361 #SUP  0.97  #QF  0.97
  5 THR  HA     14 PRO  HD3     3.46            #peak   362 #SUP  0.99  #QF  0.99
 16 LEU  QB     16 LEU  QQD     2.40            #peak   367 #SUP  0.99  #QF  0.99
 16 LEU  HA     16 LEU  QQD     5.50            #peak   370 #SUP  1.00  #QF  0.24
  5 THR  QG2    14 PRO  HD2     4.23            #peak   380 #SUP  0.97  #QF  0.97
  8 VAL  HB      9 PRO  HD2     4.11            #peak   390 #SUP  0.99  #QF  0.99
  1 LEU  QD1     9 PRO  HA      5.01            #peak   392 #SUP  1.00
  1 LEU  QD2     9 PRO  HA      5.01            #peak   393 #SUP  0.99  #QF  0.99
  1 LEU  QD2     9 PRO  HD3     5.50            #peak   395 #SUP  1.00  #QF  0.98
 11 VAL  QQG    12 SER  QB      5.50            #peak   395 #SUP  1.00  #QF  0.98
  1 LEU  QD1     9 PRO  HD3     5.50            #peak   396 #SUP  0.98  #QF  0.98
  1 LEU  QD1     9 PRO  HB3     4.47            #peak   397 #SUP  1.00
  1 LEU  QD2     9 PRO  HB3     4.47            #peak   398 #SUP  0.90  #QF  0.90
  1 LEU  QD1     9 PRO  HB2     4.47            #peak   400 #SUP  1.00
  1 LEU  QD2     9 PRO  HB2     4.47            #peak   401 #SUP  1.00
  8 VAL  H       8 VAL  QG1     4.08            #peak   403 #SUP  0.94  #QF  0.80
 11 VAL  H      11 VAL  QQG     3.40            #peak   403 #SUP  0.94  #QF  0.80
  8 VAL  HA      8 VAL  QG2     3.23            #peak   417 #SUP  0.71  #QF  0.71
  8 VAL  HA      8 VAL  QG1     3.23            #peak   418 #SUP  0.99  #QF  0.99
 10 GLN  HB2    11 VAL  H       5.15            #peak   422 #SUP  0.65  #QF  0.65
  4 TYR  QD      9 PRO  HG2     5.50            #peak   423 #SUP  1.00
  4 TYR  QE      9 PRO  HG2     5.14            #peak   424 #SUP  0.97  #QF  0.97
  2 VAL  HA      2 VAL  QQG     3.31            #peak   432 #SUP  1.00
  2 VAL  QQG     3 ARG  HA      5.00            #peak   436 #SUP  0.99  #QF  0.99
  4 TYR  QD     13 THR  QG2     5.20            #peak   442 #SUP  0.88  #QF  0.88
  5 THR  QG2    14 PRO  HD3     4.23            #peak   452 #SUP  0.93  #QF  0.93
  5 THR  QG2    13 THR  QG2     3.05            #peak   456 #SUP  0.86  #QF  0.86
  1 LEU  HA      1 LEU  QQD     3.50            #peak   178
  1 LEU  HA      3 ARG  QB      5.34            #peak   373
  1 LEU  QB      1 LEU  QQD     2.44            #peak   173
  1 LEU  QQD     2 VAL  HA      5.44            #peak   434
  1 LEU  QQD     4 TYR  QE      4.54            #peak   185
  1 LEU  QQD     6 LYS  HA      5.44            #peak   434
  1 LEU  QQD     9 PRO  HA      4.24            #peak   393
  1 LEU  QQD     9 PRO  QB      2.69            #peak   398
  1 LEU  QQD     9 PRO  HG3     3.89            #peak   399
  1 LEU  QQD     9 PRO  HD2     4.70            #peak   394
  1 LEU  QQD     9 PRO  HD3     4.48            #peak   396
  3 ARG  HA      3 ARG  QG      3.13            #peak   203
  3 ARG  QB      3 ARG  QG      2.24            #peak    91
  3 ARG  QB      3 ARG  QD      3.03            #peak    88
  3 ARG  QB      4 TYR  QD      4.97            #peak   206
  3 ARG  QB      4 TYR  QE      4.15            #peak   207
  3 ARG  QG      4 TYR  QD      5.34            #peak   208
  4 TYR  QD      9 PRO  QB      5.34            #peak   425
  5 THR  H      14 PRO  QD      4.33            #peak   305
  5 THR  HB     14 PRO  QD      3.76            #peak   376
  5 THR  QG2    14 PRO  QG      5.35            #peak   415
  5 THR  QG2    14 PRO  QD      3.58            #peak   452
  6 LYS  QB      6 LYS  QD      2.73            #peak   245
  6 LYS  QB      6 LYS  QE      3.64            #peak    63
  7 LYS  HA      8 VAL  QQG     4.63            #peak   404
  7 LYS  QB      7 LYS  QG      2.43            #peak    74
  7 LYS  QB      7 LYS  QD      2.74            #peak   229
  7 LYS  QB      7 LYS  QE      2.53            #peak   249
  7 LYS  QB      8 VAL  H       3.32            #peak    96
  8 VAL  H       8 VAL  QQG     3.11            #peak   403
  8 VAL  HA      8 VAL  QQG     2.64            #peak   417
  8 VAL  QQG     9 PRO  HG2     3.33            #peak   447
  8 VAL  QQG     9 PRO  HD2     2.97            #peak   357
  8 VAL  QQG     9 PRO  HD3     3.53            #peak   356
  8 VAL  QQG    10 GLN  QG      4.19            #peak   448
  9 PRO  QB     10 GLN  HA      5.32            #peak   123
 10 GLN  HA     10 GLN  QB      2.63            #peak   292
 10 GLN  QB     11 VAL  H       4.36            #peak    99
 10 GLN  QB     12 SER  H       4.38            #peak     2
 14 PRO  QB     15 THR  HA      5.34            #peak   260

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H        LEU   1   1.807   0.000   0.855
    2    HA   LEU   1           HA       LEU   1   1.947   0.956  -1.721
    3    HB2  LEU   1           HB2      LEU   1   3.717  -1.177  -0.539
    4    HB3  LEU   1           HB3      LEU   1   4.117  -0.109  -1.883
    5    HG   LEU   1           HG       LEU   1   3.486   1.036   0.809
    6   HD11  LEU   1          1HD1      LEU   1   6.275   0.281   0.017
    7   HD12  LEU   1          2HD1      LEU   1   5.250  -0.824   0.932
    8   HD13  LEU   1          3HD1      LEU   1   5.658   0.757   1.600
    9   HD21  LEU   1          3HD2      LEU   1   5.607   2.312  -0.559
   10   HD22  LEU   1          1HD2      LEU   1   3.979   2.918  -0.254
   11   HD23  LEU   1          2HD2      LEU   1   4.321   2.017  -1.731
   12    H    VAL   2           H        VAL   2   1.626   0.169  -3.726
   13    HA   VAL   2           HA       VAL   2   0.747  -2.637  -3.945
   14    HB   VAL   2           HB       VAL   2  -0.463  -1.842  -6.028
   15   HG11  VAL   2          1HG1      VAL   2  -1.907  -2.328  -4.313
   16   HG12  VAL   2          2HG1      VAL   2  -1.195  -1.133  -3.227
   17   HG13  VAL   2          3HG1      VAL   2  -2.247  -0.614  -4.544
   18   HG21  VAL   2          3HG2      VAL   2  -0.583   0.339  -6.605
   19   HG22  VAL   2          1HG2      VAL   2  -0.560   0.893  -4.931
   20   HG23  VAL   2          2HG2      VAL   2   0.945   0.437  -5.729
   21    H    ARG   3           H        ARG   3   2.849  -0.166  -5.184
   22    HA   ARG   3           HA       ARG   3   3.694  -1.810  -7.435
   23    HB2  ARG   3           HB2      ARG   3   3.416   0.823  -7.316
   24    HB3  ARG   3           HB3      ARG   3   5.064   0.739  -6.707
   25    HG2  ARG   3           HG2      ARG   3   5.159   1.111  -9.056
   26    HG3  ARG   3           HG3      ARG   3   5.683  -0.545  -8.747
   27    HD2  ARG   3           HD2      ARG   3   3.716  -1.456  -9.589
   28    HD3  ARG   3           HD3      ARG   3   2.824   0.053  -9.399
   29    HE   ARG   3           HE       ARG   3   4.916   0.405 -11.257
   30   HH11  ARG   3          1HH1      ARG   3   1.816  -1.144 -10.919
   31   HH12  ARG   3          2HH1      ARG   3   1.450  -1.072 -12.611
   32   HH21  ARG   3          1HH2      ARG   3   4.445   0.506 -13.486
   33   HH22  ARG   3          2HH2      ARG   3   2.946  -0.134 -14.070
   34    H    TYR   4           H        TYR   4   4.719  -0.927  -4.240
   35    HA   TYR   4           HA       TYR   4   7.308  -2.252  -4.671
   36    HB2  TYR   4           HB2      TYR   4   6.528  -0.586  -2.279
   37    HB3  TYR   4           HB3      TYR   4   8.144  -1.073  -2.776
   38    HD1  TYR   4           HD2      TYR   4   8.103  -0.410  -5.648
   39    HD2  TYR   4           HD1      TYR   4   6.571   1.743  -2.314
   40    HE1  TYR   4           HE2      TYR   4   8.355   1.693  -6.898
   41    HE2  TYR   4           HE1      TYR   4   6.818   3.852  -3.554
   42    HH   TYR   4           HH       TYR   4   8.519   4.028  -6.559
   43    H    THR   5           H        THR   5   7.976  -2.996  -2.154
   44    HA   THR   5           HA       THR   5   6.386  -5.358  -1.793
   45    HB   THR   5           HB       THR   5   8.866  -5.337  -1.514
   46    HG1  THR   5           HG1      THR   5   7.288  -6.841  -0.405
   47   HG21  THR   5          3HG2      THR   5   9.862  -4.446   0.483
   48   HG22  THR   5          1HG2      THR   5   8.287  -3.964   1.111
   49   HG23  THR   5          2HG2      THR   5   8.958  -3.153  -0.304
   50    H    LYS   6           H        LYS   6   5.528  -6.033   0.307
   51    HA   LYS   6           HA       LYS   6   3.652  -4.276   1.340
   52    HB2  LYS   6           HB2      LYS   6   4.880  -6.776   2.492
   53    HB3  LYS   6           HB3      LYS   6   3.592  -5.902   3.312
   54    HG2  LYS   6           HG2      LYS   6   3.204  -6.702   0.471
   55    HG3  LYS   6           HG3      LYS   6   3.061  -7.923   1.738
   56    HD2  LYS   6           HD2      LYS   6   0.890  -7.182   1.608
   57    HD3  LYS   6           HD3      LYS   6   1.524  -6.120   2.867
   58    HE2  LYS   6           HE2      LYS   6   1.595  -4.286   1.465
   59    HE3  LYS   6           HE3      LYS   6   1.679  -5.273   0.007
   60    HZ1  LYS   6           HZ1      LYS   6  -0.731  -5.901   1.153
   61    HZ2  LYS   6           HZ2      LYS   6  -0.487  -4.915  -0.198
   62    HZ3  LYS   6           HZ3      LYS   6  -0.606  -4.225   1.342
   63    H    LYS   7           H        LYS   7   6.973  -4.812   2.291
   64    HA   LYS   7           HA       LYS   7   6.699  -3.140   4.657
   65    HB2  LYS   7           HB2      LYS   7   8.360  -5.261   3.993
   66    HB3  LYS   7           HB3      LYS   7   9.419  -3.860   3.891
   67    HG2  LYS   7           HG2      LYS   7   9.699  -4.154   6.083
   68    HG3  LYS   7           HG3      LYS   7   8.110  -3.400   6.239
   69    HD2  LYS   7           HD2      LYS   7   8.466  -6.366   5.875
   70    HD3  LYS   7           HD3      LYS   7   8.458  -5.600   7.465
   71    HE2  LYS   7           HE2      LYS   7   6.229  -4.641   6.925
   72    HE3  LYS   7           HE3      LYS   7   6.242  -5.557   5.419
   73    HZ1  LYS   7           HZ1      LYS   7   6.742  -7.079   7.843
   74    HZ2  LYS   7           HZ2      LYS   7   5.822  -7.481   6.482
   75    HZ3  LYS   7           HZ3      LYS   7   5.174  -6.466   7.670
   76    H    VAL   8           H        VAL   8   8.924  -1.702   4.834
   77    HA   VAL   8           HA       VAL   8   8.456   0.572   3.317
   78    HB   VAL   8           HB       VAL   8  11.073  -0.242   4.589
   79   HG11  VAL   8          1HG1      VAL   8  11.600   2.115   4.625
   80   HG12  VAL   8          2HG1      VAL   8  11.254   1.615   2.968
   81   HG13  VAL   8          3HG1      VAL   8  10.044   2.506   3.892
   82   HG21  VAL   8          3HG2      VAL   8   9.235  -0.298   6.186
   83   HG22  VAL   8          1HG2      VAL   8  10.303   1.066   6.515
   84   HG23  VAL   8          2HG2      VAL   8   8.755   1.331   5.712
   85    HA   PRO   9           HA       PRO   9  10.153  -0.459  -0.635
   86    HB2  PRO   9           HB2      PRO   9  10.195   2.054  -1.662
   87    HB3  PRO   9           HB3      PRO   9   8.709   1.115  -1.483
   88    HG2  PRO   9           HG2      PRO   9   9.812   3.268   0.280
   89    HG3  PRO   9           HG3      PRO   9   8.142   3.007  -0.256
   90    HD2  PRO   9           HD2      PRO   9   9.015   2.274   2.200
   91    HD3  PRO   9           HD3      PRO   9   7.756   1.377   1.327
   92    H    GLN  10           H        GLN  10  12.230  -1.051   0.351
   93    HA   GLN  10           HA       GLN  10  14.251   1.071   0.298
   94    HB2  GLN  10           HB2      GLN  10  13.824  -0.963   2.100
   95    HB3  GLN  10           HB3      GLN  10  15.125  -1.606   1.107
   96    HG2  GLN  10           HG2      GLN  10  16.382  -0.522   2.634
   97    HG3  GLN  10           HG3      GLN  10  16.115   0.823   1.526
   98   HE21  GLN  10          1HE2      GLN  10  16.759   1.706   3.821
   99   HE22  GLN  10          2HE2      GLN  10  15.417   2.219   4.781
  100    H    VAL  11           H        VAL  11  16.527  -0.299  -0.236
  101    HA   VAL  11           HA       VAL  11  16.671  -0.349  -2.997
  102    HB   VAL  11           HB       VAL  11  18.782  -1.715  -2.669
  103   HG11  VAL  11          1HG1      VAL  11  18.300   0.878  -1.231
  104   HG12  VAL  11          2HG1      VAL  11  19.905   0.154  -1.347
  105   HG13  VAL  11          3HG1      VAL  11  19.036   0.615  -2.812
  106   HG21  VAL  11          3HG2      VAL  11  17.582  -2.327  -0.231
  107   HG22  VAL  11          1HG2      VAL  11  19.228  -2.715  -0.731
  108   HG23  VAL  11          2HG2      VAL  11  18.907  -1.238   0.177
  109    H    SER  12           H        SER  12  15.763  -2.886  -0.779
  110    HA   SER  12           HA       SER  12  15.697  -4.849  -2.953
  111    HB2  SER  12           HB2      SER  12  16.764  -5.650  -0.942
  112    HB3  SER  12           HB3      SER  12  15.386  -5.154   0.041
  113    HG   SER  12           HG       SER  12  15.687  -7.359  -1.630
  114    H    THR  13           H        THR  13  13.890  -4.661  -4.126
  115    HA   THR  13           HA       THR  13  11.348  -5.146  -2.849
  116    HB   THR  13           HB       THR  13  10.418  -3.104  -4.276
  117    HG1  THR  13           HG1      THR  13  11.839  -1.432  -4.406
  118   HG21  THR  13          3HG2      THR  13  11.490  -2.009  -1.819
  119   HG22  THR  13          1HG2      THR  13  10.842  -3.630  -1.576
  120   HG23  THR  13          2HG2      THR  13   9.819  -2.364  -2.255
  121    HA   PRO  14           HA       PRO  14  10.418  -7.127  -6.653
  122    HB2  PRO  14           HB2      PRO  14   7.743  -6.721  -6.875
  123    HB3  PRO  14           HB3      PRO  14   8.452  -7.829  -5.694
  124    HG2  PRO  14           HG2      PRO  14   7.483  -5.022  -5.315
  125    HG3  PRO  14           HG3      PRO  14   7.247  -6.437  -4.273
  126    HD2  PRO  14           HD2      PRO  14   9.110  -4.541  -3.755
  127    HD3  PRO  14           HD3      PRO  14   9.342  -6.249  -3.330
  128    H    THR  15           H        THR  15  10.554  -6.652  -8.767
  129    HA   THR  15           HA       THR  15   9.945  -3.895  -9.593
  130    HB   THR  15           HB       THR  15  11.407  -4.584 -11.624
  131    HG1  THR  15           HG1      THR  15  12.972  -6.200 -11.001
  132   HG21  THR  15          3HG2      THR  15  11.932  -3.137  -9.454
  133   HG22  THR  15          1HG2      THR  15  13.174  -3.515 -10.648
  134   HG23  THR  15          2HG2      THR  15  13.063  -4.458  -9.161
  135    H    LEU  16           H        LEU  16   7.657  -4.683  -9.703
  136    HA   LEU  16           HA       LEU  16   6.814  -6.595 -11.580
  137    HB2  LEU  16           HB2      LEU  16   5.362  -5.804  -9.816
  138    HB3  LEU  16           HB3      LEU  16   5.389  -4.174 -10.486
  139    HG   LEU  16           HG       LEU  16   4.302  -5.234 -12.564
  140   HD11  LEU  16          1HD1      LEU  16   3.071  -7.254 -10.843
  141   HD12  LEU  16          2HD1      LEU  16   4.761  -7.568 -11.235
  142   HD13  LEU  16          3HD1      LEU  16   3.582  -7.352 -12.528
  143   HD21  LEU  16          3HD2      LEU  16   2.046  -5.326 -11.196
  144   HD22  LEU  16          1HD2      LEU  16   2.900  -3.806 -11.463
  145   HD23  LEU  16          2HD2      LEU  16   3.064  -4.650  -9.923
  Start of MODEL    2
    1    H1   LEU   1           H        LEU   1   0.336   2.708   0.311
    2    HA   LEU   1           HA       LEU   1   1.508   3.659  -1.936
    3    HB2  LEU   1           HB2      LEU   1   2.105   1.439  -0.095
    4    HB3  LEU   1           HB3      LEU   1   2.934   1.380  -1.649
    5    HG   LEU   1           HG       LEU   1   3.027   3.837   0.071
    6   HD11  LEU   1          1HD1      LEU   1   4.173   2.738   1.622
    7   HD12  LEU   1          2HD1      LEU   1   5.427   2.470   0.412
    8   HD13  LEU   1          3HD1      LEU   1   4.172   1.258   0.664
    9   HD21  LEU   1          3HD2      LEU   1   3.907   3.286  -2.481
   10   HD22  LEU   1          1HD2      LEU   1   5.353   3.069  -1.495
   11   HD23  LEU   1          2HD2      LEU   1   4.474   4.598  -1.447
   12    H    VAL   2           H        VAL   2   0.898   0.161  -1.717
   13    HA   VAL   2           HA       VAL   2   0.435  -1.392  -3.322
   14    HB   VAL   2           HB       VAL   2  -1.273   0.779  -4.539
   15   HG11  VAL   2          1HG1      VAL   2  -0.789  -1.909  -5.258
   16   HG12  VAL   2          2HG1      VAL   2  -2.422  -1.832  -4.594
   17   HG13  VAL   2          3HG1      VAL   2  -1.967  -0.792  -5.945
   18   HG21  VAL   2          3HG2      VAL   2  -2.179   0.829  -2.462
   19   HG22  VAL   2          1HG2      VAL   2  -3.006  -0.615  -3.046
   20   HG23  VAL   2          2HG2      VAL   2  -1.568  -0.770  -2.037
   21    H    ARG   3           H        ARG   3   2.789  -0.817  -3.933
   22    HA   ARG   3           HA       ARG   3   2.890  -0.668  -6.803
   23    HB2  ARG   3           HB2      ARG   3   3.508   1.672  -5.180
   24    HB3  ARG   3           HB3      ARG   3   4.861   1.187  -6.193
   25    HG2  ARG   3           HG2      ARG   3   2.068   1.671  -7.205
   26    HG3  ARG   3           HG3      ARG   3   3.369   2.863  -7.239
   27    HD2  ARG   3           HD2      ARG   3   4.663   1.522  -8.722
   28    HD3  ARG   3           HD3      ARG   3   3.577   0.148  -8.522
   29    HE   ARG   3           HE       ARG   3   2.040   2.211  -9.527
   30   HH11  ARG   3          1HH1      ARG   3   4.822   0.373 -10.530
   31   HH12  ARG   3          2HH1      ARG   3   4.474   0.523 -12.221
   32   HH21  ARG   3          1HH2      ARG   3   1.572   2.416 -11.750
   33   HH22  ARG   3          2HH2      ARG   3   2.626   1.686 -12.914
   34    H    TYR   4           H        TYR   4   4.923  -0.372  -3.890
   35    HA   TYR   4           HA       TYR   4   6.929  -2.094  -5.135
   36    HB2  TYR   4           HB2      TYR   4   7.114  -0.765  -2.433
   37    HB3  TYR   4           HB3      TYR   4   8.429  -1.378  -3.430
   38    HD1  TYR   4           HD2      TYR   4   8.294  -0.253  -5.949
   39    HD2  TYR   4           HD1      TYR   4   7.028   1.527  -2.298
   40    HE1  TYR   4           HE2      TYR   4   8.587   1.979  -6.942
   41    HE2  TYR   4           HE1      TYR   4   7.315   3.763  -3.281
   42    HH   TYR   4           HH       TYR   4   8.897   4.681  -5.334
   43    H    THR   5           H        THR   5   8.073  -3.337  -3.019
   44    HA   THR   5           HA       THR   5   6.553  -5.630  -2.672
   45    HB   THR   5           HB       THR   5   9.019  -5.469  -2.304
   46    HG1  THR   5           HG1      THR   5   7.936  -7.312  -1.565
   47   HG21  THR   5          3HG2      THR   5   8.755  -4.816   0.530
   48   HG22  THR   5          1HG2      THR   5   8.374  -3.464  -0.535
   49   HG23  THR   5          2HG2      THR   5   9.942  -4.264  -0.652
   50    H    LYS   6           H        LYS   6   6.063  -6.526  -0.367
   51    HA   LYS   6           HA       LYS   6   4.049  -4.785   0.759
   52    HB2  LYS   6           HB2      LYS   6   3.762  -7.275   0.338
   53    HB3  LYS   6           HB3      LYS   6   4.818  -7.540   1.720
   54    HG2  LYS   6           HG2      LYS   6   2.585  -7.740   2.485
   55    HG3  LYS   6           HG3      LYS   6   3.208  -6.205   3.095
   56    HD2  LYS   6           HD2      LYS   6   0.966  -5.876   2.275
   57    HD3  LYS   6           HD3      LYS   6   2.099  -5.056   1.197
   58    HE2  LYS   6           HE2      LYS   6   1.859  -6.681  -0.472
   59    HE3  LYS   6           HE3      LYS   6   1.150  -7.849   0.642
   60    HZ1  LYS   6           HZ1      LYS   6  -0.795  -6.360   0.817
   61    HZ2  LYS   6           HZ2      LYS   6  -0.561  -6.961  -0.747
   62    HZ3  LYS   6           HZ3      LYS   6  -0.123  -5.369  -0.379
   63    H    LYS   7           H        LYS   7   6.228  -3.455   1.278
   64    HA   LYS   7           HA       LYS   7   6.336  -3.293   4.091
   65    HB2  LYS   7           HB2      LYS   7   7.932  -5.316   3.221
   66    HB3  LYS   7           HB3      LYS   7   9.061  -3.968   3.178
   67    HG2  LYS   7           HG2      LYS   7   9.319  -4.038   5.375
   68    HG3  LYS   7           HG3      LYS   7   7.576  -3.935   5.634
   69    HD2  LYS   7           HD2      LYS   7   8.797  -6.528   4.789
   70    HD3  LYS   7           HD3      LYS   7   8.906  -6.019   6.475
   71    HE2  LYS   7           HE2      LYS   7   6.284  -5.561   5.967
   72    HE3  LYS   7           HE3      LYS   7   6.588  -6.944   4.916
   73    HZ1  LYS   7           HZ1      LYS   7   5.945  -7.853   6.952
   74    HZ2  LYS   7           HZ2      LYS   7   6.888  -6.776   7.853
   75    HZ3  LYS   7           HZ3      LYS   7   7.630  -8.002   6.955
   76    H    VAL   8           H        VAL   8   8.636  -1.991   4.587
   77    HA   VAL   8           HA       VAL   8   8.237   0.567   3.636
   78    HB   VAL   8           HB       VAL   8  10.868  -0.605   4.552
   79   HG11  VAL   8          1HG1      VAL   8  11.499   1.662   5.099
   80   HG12  VAL   8          2HG1      VAL   8  11.062   1.569   3.392
   81   HG13  VAL   8          3HG1      VAL   8   9.932   2.262   4.556
   82   HG21  VAL   8          3HG2      VAL   8   8.439  -0.251   5.951
   83   HG22  VAL   8          1HG2      VAL   8  10.013  -0.714   6.598
   84   HG23  VAL   8          2HG2      VAL   8   9.556   0.988   6.522
   85    HA   PRO   9           HA       PRO   9   9.719   0.424  -0.529
   86    HB2  PRO   9           HB2      PRO   9   9.828   3.103  -0.952
   87    HB3  PRO   9           HB3      PRO   9   8.311   2.197  -0.918
   88    HG2  PRO   9           HG2      PRO   9   9.581   3.847   1.233
   89    HG3  PRO   9           HG3      PRO   9   7.880   3.772   0.738
   90    HD2  PRO   9           HD2      PRO   9   8.823   2.462   2.912
   91    HD3  PRO   9           HD3      PRO   9   7.489   1.834   1.923
   92    H    GLN  10           H        GLN  10  11.788  -0.274  -0.667
   93    HA   GLN  10           HA       GLN  10  13.895   1.727  -0.390
   94    HB2  GLN  10           HB2      GLN  10  14.069  -1.007   0.888
   95    HB3  GLN  10           HB3      GLN  10  15.345   0.202   0.857
   96    HG2  GLN  10           HG2      GLN  10  13.866   1.717   2.150
   97    HG3  GLN  10           HG3      GLN  10  12.701   0.400   2.276
   98   HE21  GLN  10          1HE2      GLN  10  16.232   0.544   2.571
   99   HE22  GLN  10          2HE2      GLN  10  16.301  -0.163   4.146
  100    H    VAL  11           H        VAL  11  16.092   0.292  -0.943
  101    HA   VAL  11           HA       VAL  11  15.931  -0.143  -3.709
  102    HB   VAL  11           HB       VAL  11  18.207  -1.025  -3.562
  103   HG11  VAL  11          1HG1      VAL  11  18.916   1.073  -3.396
  104   HG12  VAL  11          2HG1      VAL  11  17.337   1.517  -2.744
  105   HG13  VAL  11          3HG1      VAL  11  18.649   1.069  -1.653
  106   HG21  VAL  11          3HG2      VAL  11  17.422  -1.456  -0.763
  107   HG22  VAL  11          1HG2      VAL  11  18.583  -2.326  -1.766
  108   HG23  VAL  11          2HG2      VAL  11  19.048  -0.810  -0.992
  109    H    SER  12           H        SER  12  15.406  -2.258  -1.020
  110    HA   SER  12           HA       SER  12  15.664  -4.682  -2.573
  111    HB2  SER  12           HB2      SER  12  16.247  -5.095  -0.368
  112    HB3  SER  12           HB3      SER  12  14.992  -4.034   0.272
  113    HG   SER  12           HG       SER  12  14.739  -6.654  -0.753
  114    H    THR  13           H        THR  13  14.141  -5.372  -3.905
  115    HA   THR  13           HA       THR  13  11.395  -5.518  -3.138
  116    HB   THR  13           HB       THR  13  10.859  -4.180  -5.426
  117    HG1  THR  13           HG1      THR  13  13.193  -3.566  -5.422
  118   HG21  THR  13          3HG2      THR  13  10.208  -3.908  -2.824
  119   HG22  THR  13          1HG2      THR  13   9.725  -2.760  -4.072
  120   HG23  THR  13          2HG2      THR  13  11.134  -2.426  -3.065
  121    HA   PRO  14           HA       PRO  14  11.366  -8.761  -6.095
  122    HB2  PRO  14           HB2      PRO  14   8.799  -8.711  -6.979
  123    HB3  PRO  14           HB3      PRO  14   9.249  -9.275  -5.365
  124    HG2  PRO  14           HG2      PRO  14   8.170  -6.613  -6.209
  125    HG3  PRO  14           HG3      PRO  14   7.735  -7.602  -4.803
  126    HD2  PRO  14           HD2      PRO  14   9.402  -5.475  -4.629
  127    HD3  PRO  14           HD3      PRO  14   9.565  -6.904  -3.588
  128    H    THR  15           H        THR  15  11.078  -9.303  -8.367
  129    HA   THR  15           HA       THR  15  11.852  -7.128 -10.076
  130    HB   THR  15           HB       THR  15  11.295 -10.024 -10.747
  131    HG1  THR  15           HG1      THR  15  13.732  -8.615 -10.285
  132   HG21  THR  15          3HG2      THR  15  12.608  -9.535 -12.798
  133   HG22  THR  15          1HG2      THR  15  12.585  -7.826 -12.366
  134   HG23  THR  15          2HG2      THR  15  11.076  -8.663 -12.731
  135    H    LEU  16           H        LEU  16  10.069  -5.753 -10.199
  136    HA   LEU  16           HA       LEU  16   7.629  -6.850 -11.407
  137    HB2  LEU  16           HB2      LEU  16   8.196  -4.287  -9.940
  138    HB3  LEU  16           HB3      LEU  16   6.696  -4.566 -10.824
  139    HG   LEU  16           HG       LEU  16   7.577  -6.438  -8.652
  140   HD11  LEU  16          1HD1      LEU  16   5.669  -4.258  -8.022
  141   HD12  LEU  16          2HD1      LEU  16   7.388  -3.865  -8.043
  142   HD13  LEU  16          3HD1      LEU  16   6.786  -5.130  -6.971
  143   HD21  LEU  16          3HD2      LEU  16   5.321  -6.172 -10.406
  144   HD22  LEU  16          1HD2      LEU  16   4.802  -6.044  -8.725
  145   HD23  LEU  16          2HD2      LEU  16   5.704  -7.461  -9.264
  Start of MODEL    3
    1    H1   LEU   1           H        LEU   1   1.755   3.789  -2.205
    2    HA   LEU   1           HA       LEU   1   3.541   2.373  -2.075
    3    HB2  LEU   1           HB2      LEU   1   2.480   2.760   0.407
    4    HB3  LEU   1           HB3      LEU   1   2.531   1.001   0.310
    5    HG   LEU   1           HG       LEU   1   4.516   1.871   1.409
    6   HD11  LEU   1          1HD1      LEU   1   4.981   0.708  -1.329
    7   HD12  LEU   1          2HD1      LEU   1   4.821  -0.160   0.197
    8   HD13  LEU   1          3HD1      LEU   1   6.232   0.856  -0.095
    9   HD21  LEU   1          3HD2      LEU   1   5.450   3.145  -1.118
   10   HD22  LEU   1          1HD2      LEU   1   5.916   3.472   0.552
   11   HD23  LEU   1          2HD2      LEU   1   4.362   4.043  -0.057
   12    H    VAL   2           H        VAL   2   1.301   1.385  -3.608
   13    HA   VAL   2           HA       VAL   2   1.208  -1.471  -3.042
   14    HB   VAL   2           HB       VAL   2  -0.114   0.104  -5.256
   15   HG11  VAL   2          1HG1      VAL   2  -1.580  -2.135  -5.018
   16   HG12  VAL   2          2HG1      VAL   2  -0.239  -1.967  -6.153
   17   HG13  VAL   2          3HG1      VAL   2   0.011  -2.771  -4.603
   18   HG21  VAL   2          3HG2      VAL   2  -0.900   0.714  -3.002
   19   HG22  VAL   2          1HG2      VAL   2  -2.148  -0.094  -3.952
   20   HG23  VAL   2          2HG2      VAL   2  -1.285  -0.980  -2.694
   21    H    ARG   3           H        ARG   3   2.729   0.774  -5.222
   22    HA   ARG   3           HA       ARG   3   3.475  -1.041  -7.250
   23    HB2  ARG   3           HB2      ARG   3   3.672   1.662  -6.909
   24    HB3  ARG   3           HB3      ARG   3   5.347   1.164  -6.714
   25    HG2  ARG   3           HG2      ARG   3   5.212   1.587  -8.974
   26    HG3  ARG   3           HG3      ARG   3   4.955  -0.158  -8.904
   27    HD2  ARG   3           HD2      ARG   3   2.600   0.103  -9.159
   28    HD3  ARG   3           HD3      ARG   3   2.712   1.850  -8.948
   29    HE   ARG   3           HE       ARG   3   4.262   1.038 -11.164
   30   HH11  ARG   3          1HH1      ARG   3   0.956   1.461 -10.157
   31   HH12  ARG   3          2HH1      ARG   3   0.371   1.769 -11.759
   32   HH21  ARG   3          1HH2      ARG   3   3.504   1.444 -13.277
   33   HH22  ARG   3          2HH2      ARG   3   1.821   1.759 -13.532
   34    H    TYR   4           H        TYR   4   4.768  -0.359  -4.104
   35    HA   TYR   4           HA       TYR   4   7.145  -1.988  -4.674
   36    HB2  TYR   4           HB2      TYR   4   6.632  -0.367  -2.181
   37    HB3  TYR   4           HB3      TYR   4   8.166  -1.015  -2.752
   38    HD1  TYR   4           HD2      TYR   4   8.685  -0.175  -5.305
   39    HD2  TYR   4           HD1      TYR   4   6.394   1.909  -2.389
   40    HE1  TYR   4           HE2      TYR   4   9.155   1.945  -6.460
   41    HE2  TYR   4           HE1      TYR   4   6.856   4.035  -3.536
   42    HH   TYR   4           HH       TYR   4   9.116   4.230  -6.202
   43    H    THR   5           H        THR   5   7.789  -2.938  -2.224
   44    HA   THR   5           HA       THR   5   6.064  -5.175  -1.957
   45    HB   THR   5           HB       THR   5   8.505  -5.261  -1.492
   46    HG1  THR   5           HG1      THR   5   7.539  -6.970  -0.590
   47   HG21  THR   5          3HG2      THR   5   8.105  -3.029   0.012
   48   HG22  THR   5          1HG2      THR   5   9.521  -4.072   0.133
   49   HG23  THR   5          2HG2      THR   5   8.179  -4.275   1.258
   50    H    LYS   6           H        LYS   6   5.102  -5.875   0.124
   51    HA   LYS   6           HA       LYS   6   3.188  -4.064   1.038
   52    HB2  LYS   6           HB2      LYS   6   2.852  -6.454   1.226
   53    HB3  LYS   6           HB3      LYS   6   4.223  -6.599   2.317
   54    HG2  LYS   6           HG2      LYS   6   2.166  -6.719   3.563
   55    HG3  LYS   6           HG3      LYS   6   3.025  -5.233   3.974
   56    HD2  LYS   6           HD2      LYS   6   0.743  -4.643   3.715
   57    HD3  LYS   6           HD3      LYS   6   1.574  -4.066   2.269
   58    HE2  LYS   6           HE2      LYS   6  -0.536  -5.126   1.684
   59    HE3  LYS   6           HE3      LYS   6   0.823  -6.055   1.052
   60    HZ1  LYS   6           HZ1      LYS   6  -0.343  -6.753   3.663
   61    HZ2  LYS   6           HZ2      LYS   6   0.492  -7.736   2.569
   62    HZ3  LYS   6           HZ3      LYS   6  -1.101  -7.268   2.242
   63    H    LYS   7           H        LYS   7   6.440  -4.635   2.089
   64    HA   LYS   7           HA       LYS   7   6.049  -3.064   4.523
   65    HB2  LYS   7           HB2      LYS   7   7.564  -5.268   4.082
   66    HB3  LYS   7           HB3      LYS   7   8.758  -4.007   3.810
   67    HG2  LYS   7           HG2      LYS   7   9.035  -3.802   5.992
   68    HG3  LYS   7           HG3      LYS   7   7.339  -3.344   6.167
   69    HD2  LYS   7           HD2      LYS   7   8.141  -6.224   5.936
   70    HD3  LYS   7           HD3      LYS   7   8.221  -5.383   7.486
   71    HE2  LYS   7           HE2      LYS   7   5.903  -4.996   7.515
   72    HE3  LYS   7           HE3      LYS   7   5.735  -5.370   5.801
   73    HZ1  LYS   7           HZ1      LYS   7   5.725  -7.585   6.189
   74    HZ2  LYS   7           HZ2      LYS   7   5.117  -7.093   7.689
   75    HZ3  LYS   7           HZ3      LYS   7   6.754  -7.488   7.529
   76    H    VAL   8           H        VAL   8   8.247  -1.689   4.924
   77    HA   VAL   8           HA       VAL   8   8.016   0.617   3.425
   78    HB   VAL   8           HB       VAL   8   9.139   0.598   5.581
   79   HG11  VAL   8          1HG1      VAL   8  10.523  -1.583   4.558
   80   HG12  VAL   8          2HG1      VAL   8  11.742  -0.316   4.712
   81   HG13  VAL   8          3HG1      VAL   8  10.788  -0.799   6.115
   82   HG21  VAL   8          3HG2      VAL   8  10.873   1.545   3.303
   83   HG22  VAL   8          1HG2      VAL   8   9.634   2.465   4.159
   84   HG23  VAL   8          2HG2      VAL   8  11.116   1.995   4.991
   85    HA   PRO   9           HA       PRO   9   9.949  -0.398  -0.422
   86    HB2  PRO   9           HB2      PRO   9  10.166   2.133  -1.380
   87    HB3  PRO   9           HB3      PRO   9   8.634   1.253  -1.330
   88    HG2  PRO   9           HG2      PRO   9   9.694   3.319   0.560
   89    HG3  PRO   9           HG3      PRO   9   8.057   3.140  -0.100
   90    HD2  PRO   9           HD2      PRO   9   8.721   2.317   2.393
   91    HD3  PRO   9           HD3      PRO   9   7.492   1.494   1.411
   92    H    GLN  10           H        GLN  10  12.018  -0.934  -0.668
   93    HA   GLN  10           HA       GLN  10  14.087   1.038  -0.011
   94    HB2  GLN  10           HB2      GLN  10  15.487  -0.752   0.966
   95    HB3  GLN  10           HB3      GLN  10  14.017  -0.465   1.886
   96    HG2  GLN  10           HG2      GLN  10  13.070  -2.468   1.260
   97    HG3  GLN  10           HG3      GLN  10  14.065  -2.605  -0.188
   98   HE21  GLN  10          1HE2      GLN  10  13.522  -4.168   2.470
   99   HE22  GLN  10          2HE2      GLN  10  15.105  -4.705   2.908
  100    H    VAL  11           H        VAL  11  16.327  -0.210  -0.714
  101    HA   VAL  11           HA       VAL  11  16.418  -0.079  -3.471
  102    HB   VAL  11           HB       VAL  11  18.251  -1.743  -1.739
  103   HG11  VAL  11          1HG1      VAL  11  18.275  -0.914  -4.566
  104   HG12  VAL  11          2HG1      VAL  11  19.801  -0.730  -3.698
  105   HG13  VAL  11          3HG1      VAL  11  19.019  -2.308  -3.783
  106   HG21  VAL  11          3HG2      VAL  11  19.436   0.724  -2.362
  107   HG22  VAL  11          1HG2      VAL  11  17.802   1.091  -1.808
  108   HG23  VAL  11          2HG2      VAL  11  18.892   0.159  -0.782
  109    H    SER  12           H        SER  12  15.617  -2.786  -1.415
  110    HA   SER  12           HA       SER  12  15.439  -4.541  -3.766
  111    HB2  SER  12           HB2      SER  12  16.802  -5.369  -1.869
  112    HB3  SER  12           HB3      SER  12  15.380  -5.282  -0.829
  113    HG   SER  12           HG       SER  12  15.061  -7.247  -1.505
  114    H    THR  13           H        THR  13  13.481  -4.087  -4.651
  115    HA   THR  13           HA       THR  13  11.141  -4.858  -3.087
  116    HB   THR  13           HB       THR  13   9.996  -2.796  -4.336
  117    HG1  THR  13           HG1      THR  13  11.976  -2.040  -5.227
  118   HG21  THR  13          3HG2      THR  13  10.203  -1.523  -2.244
  119   HG22  THR  13          1HG2      THR  13  11.514  -2.585  -1.732
  120   HG23  THR  13          2HG2      THR  13   9.885  -3.230  -1.936
  121    HA   PRO  14           HA       PRO  14   9.781  -6.752  -6.805
  122    HB2  PRO  14           HB2      PRO  14   7.090  -6.419  -6.669
  123    HB3  PRO  14           HB3      PRO  14   7.973  -7.540  -5.626
  124    HG2  PRO  14           HG2      PRO  14   6.989  -4.775  -5.033
  125    HG3  PRO  14           HG3      PRO  14   6.926  -6.227  -4.017
  126    HD2  PRO  14           HD2      PRO  14   8.790  -4.293  -3.679
  127    HD3  PRO  14           HD3      PRO  14   9.119  -6.005  -3.344
  128    H    THR  15           H        THR  15  10.547  -5.561  -8.517
  129    HA   THR  15           HA       THR  15   8.803  -3.391  -9.490
  130    HB   THR  15           HB       THR  15  10.798  -2.485 -10.665
  131    HG1  THR  15           HG1      THR  15  12.780  -3.367 -10.323
  132   HG21  THR  15          3HG2      THR  15  10.052  -2.103  -8.086
  133   HG22  THR  15          1HG2      THR  15  11.334  -1.197  -8.889
  134   HG23  THR  15          2HG2      THR  15  11.736  -2.584  -7.875
  135    H    LEU  16           H        LEU  16   8.192  -6.018 -10.106
  136    HA   LEU  16           HA       LEU  16   9.333  -6.876 -12.563
  137    HB2  LEU  16           HB2      LEU  16   6.990  -7.637 -10.906
  138    HB3  LEU  16           HB3      LEU  16   7.001  -8.148 -12.593
  139    HG   LEU  16           HG       LEU  16   9.307  -9.152 -12.065
  140   HD11  LEU  16          1HD1      LEU  16  10.079  -9.219  -9.969
  141   HD12  LEU  16          2HD1      LEU  16   8.485  -9.542  -9.289
  142   HD13  LEU  16          3HD1      LEU  16   8.962  -7.888  -9.669
  143   HD21  LEU  16          3HD2      LEU  16   7.743 -10.757 -12.485
  144   HD22  LEU  16          1HD2      LEU  16   6.627 -10.151 -11.261
  145   HD23  LEU  16          2HD2      LEU  16   8.041 -11.088 -10.778
  Start of MODEL    4
    1    H1   LEU   1           H        LEU   1   0.171   1.471  -0.945
    2    HA   LEU   1           HA       LEU   1   2.552   2.216  -2.513
    3    HB2  LEU   1           HB2      LEU   1   2.509   2.322   0.093
    4    HB3  LEU   1           HB3      LEU   1   2.691   0.573  -0.022
    5    HG   LEU   1           HG       LEU   1   4.713   1.316  -1.611
    6   HD11  LEU   1          1HD1      LEU   1   5.855   3.242  -0.547
    7   HD12  LEU   1          2HD1      LEU   1   4.379   3.570   0.361
    8   HD13  LEU   1          3HD1      LEU   1   4.375   3.683  -1.399
    9   HD21  LEU   1          3HD2      LEU   1   5.133   1.433   1.349
   10   HD22  LEU   1          1HD2      LEU   1   6.123   0.668   0.106
   11   HD23  LEU   1          2HD2      LEU   1   4.590  -0.060   0.583
   12    H    VAL   2           H        VAL   2   0.758   0.678  -3.811
   13    HA   VAL   2           HA       VAL   2   1.296  -2.128  -3.446
   14    HB   VAL   2           HB       VAL   2  -0.105  -0.714  -5.720
   15   HG11  VAL   2          1HG1      VAL   2   0.532  -3.538  -5.176
   16   HG12  VAL   2          2HG1      VAL   2  -1.127  -3.210  -5.680
   17   HG13  VAL   2          3HG1      VAL   2   0.221  -2.717  -6.705
   18   HG21  VAL   2          3HG2      VAL   2  -1.483  -0.279  -3.930
   19   HG22  VAL   2          1HG2      VAL   2  -2.113  -1.837  -4.465
   20   HG23  VAL   2          2HG2      VAL   2  -1.025  -1.755  -3.079
   21    H    ARG   3           H        ARG   3   2.547   0.469  -5.393
   22    HA   ARG   3           HA       ARG   3   3.763  -0.995  -7.445
   23    HB2  ARG   3           HB2      ARG   3   4.696   1.584  -6.172
   24    HB3  ARG   3           HB3      ARG   3   5.228   0.960  -7.727
   25    HG2  ARG   3           HG2      ARG   3   2.786   1.052  -8.425
   26    HG3  ARG   3           HG3      ARG   3   2.526   2.016  -6.970
   27    HD2  ARG   3           HD2      ARG   3   4.156   3.650  -7.743
   28    HD3  ARG   3           HD3      ARG   3   4.476   2.672  -9.175
   29    HE   ARG   3           HE       ARG   3   2.260   4.444  -8.749
   30   HH11  ARG   3          1HH1      ARG   3   3.361   1.617 -10.456
   31   HH12  ARG   3          2HH1      ARG   3   2.231   1.802 -11.756
   32   HH21  ARG   3          1HH2      ARG   3   0.768   4.699 -10.455
   33   HH22  ARG   3          2HH2      ARG   3   0.757   3.556 -11.755
   34    H    TYR   4           H        TYR   4   4.883  -0.175  -4.201
   35    HA   TYR   4           HA       TYR   4   7.358  -1.675  -4.669
   36    HB2  TYR   4           HB2      TYR   4   6.653  -0.080  -2.207
   37    HB3  TYR   4           HB3      TYR   4   8.247  -0.612  -2.731
   38    HD1  TYR   4           HD1      TYR   4   8.568   0.210  -5.408
   39    HD2  TYR   4           HD2      TYR   4   6.455   2.210  -2.304
   40    HE1  TYR   4           HE1      TYR   4   8.906   2.353  -6.567
   41    HE2  TYR   4           HE2      TYR   4   6.786   4.359  -3.454
   42    HH   TYR   4           HH       TYR   4   7.250   4.928  -6.192
   43    H    THR   5           H        THR   5   8.025  -2.617  -2.261
   44    HA   THR   5           HA       THR   5   6.474  -4.959  -2.008
   45    HB   THR   5           HB       THR   5   8.893  -4.810  -1.426
   46    HG1  THR   5           HG1      THR   5   8.541  -6.015   0.668
   47   HG21  THR   5          3HG2      THR   5   8.351  -3.888   1.305
   48   HG22  THR   5          1HG2      THR   5   8.184  -2.640   0.071
   49   HG23  THR   5          2HG2      THR   5   9.702  -3.522   0.233
   50    H    LYS   6           H        LYS   6   5.584  -5.719   0.135
   51    HA   LYS   6           HA       LYS   6   3.430  -4.099   0.904
   52    HB2  LYS   6           HB2      LYS   6   4.627  -6.401   2.455
   53    HB3  LYS   6           HB3      LYS   6   2.995  -5.766   2.620
   54    HG2  LYS   6           HG2      LYS   6   3.987  -6.871   0.017
   55    HG3  LYS   6           HG3      LYS   6   3.319  -7.913   1.276
   56    HD2  LYS   6           HD2      LYS   6   1.399  -7.485   0.136
   57    HD3  LYS   6           HD3      LYS   6   1.387  -6.078   1.202
   58    HE2  LYS   6           HE2      LYS   6   1.089  -4.989  -0.763
   59    HE3  LYS   6           HE3      LYS   6   2.849  -5.080  -0.798
   60    HZ1  LYS   6           HZ1      LYS   6   2.811  -6.797  -2.331
   61    HZ2  LYS   6           HZ2      LYS   6   1.549  -5.805  -2.863
   62    HZ3  LYS   6           HZ3      LYS   6   1.206  -7.217  -1.997
   63    H    LYS   7           H        LYS   7   6.648  -4.470   2.224
   64    HA   LYS   7           HA       LYS   7   6.001  -2.805   4.530
   65    HB2  LYS   7           HB2      LYS   7   8.598  -4.135   3.735
   66    HB3  LYS   7           HB3      LYS   7   8.314  -3.275   5.242
   67    HG2  LYS   7           HG2      LYS   7   6.655  -5.640   4.436
   68    HG3  LYS   7           HG3      LYS   7   8.190  -5.817   5.289
   69    HD2  LYS   7           HD2      LYS   7   6.133  -3.942   6.366
   70    HD3  LYS   7           HD3      LYS   7   5.929  -5.678   6.614
   71    HE2  LYS   7           HE2      LYS   7   8.447  -4.183   7.319
   72    HE3  LYS   7           HE3      LYS   7   7.126  -4.445   8.456
   73    HZ1  LYS   7           HZ1      LYS   7   8.612  -6.176   8.856
   74    HZ2  LYS   7           HZ2      LYS   7   8.901  -6.455   7.213
   75    HZ3  LYS   7           HZ3      LYS   7   7.417  -6.893   7.897
   76    H    VAL   8           H        VAL   8   8.162  -1.329   4.999
   77    HA   VAL   8           HA       VAL   8   7.877   0.934   3.446
   78    HB   VAL   8           HB       VAL   8   8.935   1.006   5.634
   79   HG11  VAL   8          1HG1      VAL   8  11.400  -0.206   4.410
   80   HG12  VAL   8          2HG1      VAL   8  11.070   0.120   6.113
   81   HG13  VAL   8          3HG1      VAL   8  10.198  -1.163   5.274
   82   HG21  VAL   8          3HG2      VAL   8   9.392   2.865   4.188
   83   HG22  VAL   8          1HG2      VAL   8  10.868   2.474   5.071
   84   HG23  VAL   8          2HG2      VAL   8  10.693   1.984   3.387
   85    HA   PRO   9           HA       PRO   9   9.966  -0.072  -0.322
   86    HB2  PRO   9           HB2      PRO   9  10.104   2.447  -1.325
   87    HB3  PRO   9           HB3      PRO   9   8.610   1.503  -1.302
   88    HG2  PRO   9           HG2      PRO   9   9.524   3.649   0.574
   89    HG3  PRO   9           HG3      PRO   9   7.917   3.387  -0.128
   90    HD2  PRO   9           HD2      PRO   9   8.540   2.642   2.399
   91    HD3  PRO   9           HD3      PRO   9   7.377   1.748   1.399
   92    H    GLN  10           H        GLN  10  12.039  -0.689   0.013
   93    HA   GLN  10           HA       GLN  10  14.014   1.437   0.527
   94    HB2  GLN  10           HB2      GLN  10  15.418  -0.270   1.620
   95    HB3  GLN  10           HB3      GLN  10  13.879  -0.052   2.441
   96    HG2  GLN  10           HG2      GLN  10  13.113  -2.118   1.864
   97    HG3  GLN  10           HG3      GLN  10  14.077  -2.186   0.390
   98   HE21  GLN  10          1HE2      GLN  10  13.772  -3.309   3.500
   99   HE22  GLN  10          2HE2      GLN  10  15.363  -3.947   3.717
  100    H    VAL  11           H        VAL  11  16.328   0.342  -0.064
  101    HA   VAL  11           HA       VAL  11  16.531   0.385  -2.815
  102    HB   VAL  11           HB       VAL  11  18.466   0.673  -1.352
  103   HG11  VAL  11          1HG1      VAL  11  17.859  -1.071   0.290
  104   HG12  VAL  11          2HG1      VAL  11  18.322  -2.303  -0.886
  105   HG13  VAL  11          3HG1      VAL  11  19.533  -1.190  -0.249
  106   HG21  VAL  11          3HG2      VAL  11  18.934  -1.698  -3.149
  107   HG22  VAL  11          1HG2      VAL  11  18.704  -0.055  -3.745
  108   HG23  VAL  11          2HG2      VAL  11  20.080  -0.432  -2.708
  109    H    SER  12           H        SER  12  15.790  -2.292  -0.707
  110    HA   SER  12           HA       SER  12  15.936  -4.173  -2.950
  111    HB2  SER  12           HB2      SER  12  17.048  -4.928  -0.932
  112    HB3  SER  12           HB3      SER  12  15.593  -4.637   0.022
  113    HG   SER  12           HG       SER  12  15.533  -6.769  -0.432
  114    H    THR  13           H        THR  13  14.143  -4.265  -4.128
  115    HA   THR  13           HA       THR  13  11.589  -4.673  -2.764
  116    HB   THR  13           HB       THR  13  10.631  -3.151  -4.719
  117    HG1  THR  13           HG1      THR  13  12.754  -2.663  -5.527
  118   HG21  THR  13          3HG2      THR  13  10.578  -1.266  -3.136
  119   HG22  THR  13          1HG2      THR  13  11.803  -2.068  -2.153
  120   HG23  THR  13          2HG2      THR  13  10.209  -2.798  -2.344
  121    HA   PRO  14           HA       PRO  14  10.831  -7.676  -5.873
  122    HB2  PRO  14           HB2      PRO  14   8.151  -7.452  -6.249
  123    HB3  PRO  14           HB3      PRO  14   8.861  -8.155  -4.791
  124    HG2  PRO  14           HG2      PRO  14   7.793  -5.394  -5.234
  125    HG3  PRO  14           HG3      PRO  14   7.574  -6.468  -3.841
  126    HD2  PRO  14           HD2      PRO  14   9.360  -4.433  -3.844
  127    HD3  PRO  14           HD3      PRO  14   9.634  -5.943  -2.952
  128    H    THR  15           H        THR  15  10.524  -7.979  -8.081
  129    HA   THR  15           HA       THR  15  10.184  -5.503  -9.642
  130    HB   THR  15           HB       THR  15  11.567  -8.000 -10.616
  131    HG1  THR  15           HG1      THR  15  13.434  -7.239  -9.806
  132   HG21  THR  15          3HG2      THR  15  11.367  -5.155 -11.558
  133   HG22  THR  15          1HG2      THR  15  11.027  -6.639 -12.446
  134   HG23  THR  15          2HG2      THR  15  12.693  -6.199 -12.068
  135    H    LEU  16           H        LEU  16   7.969  -5.588  -9.942
  136    HA   LEU  16           HA       LEU  16   7.040  -7.759 -11.694
  137    HB2  LEU  16           HB2      LEU  16   6.249  -7.748  -9.196
  138    HB3  LEU  16           HB3      LEU  16   5.165  -6.477  -9.759
  139    HG   LEU  16           HG       LEU  16   4.057  -8.652  -9.711
  140   HD11  LEU  16          1HD1      LEU  16   2.879  -8.231 -11.579
  141   HD12  LEU  16          2HD1      LEU  16   4.306  -8.246 -12.614
  142   HD13  LEU  16          3HD1      LEU  16   3.914  -6.806 -11.675
  143   HD21  LEU  16          3HD2      LEU  16   5.290  -9.883 -11.974
  144   HD22  LEU  16          1HD2      LEU  16   5.082 -10.515 -10.340
  145   HD23  LEU  16          2HD2      LEU  16   6.516  -9.570 -10.744
  Start of MODEL    5
    1    H1   LEU   1           H        LEU   1   1.314  -0.540   1.284
    2    HA   LEU   1           HA       LEU   1   1.789   1.385  -0.893
    3    HB2  LEU   1           HB2      LEU   1   3.490  -0.926   0.034
    4    HB3  LEU   1           HB3      LEU   1   3.867   0.141  -1.317
    5    HG   LEU   1           HG       LEU   1   3.505   1.277   1.426
    6   HD11  LEU   1          1HD1      LEU   1   5.154  -0.731   1.330
    7   HD12  LEU   1          2HD1      LEU   1   5.645   0.770   2.114
    8   HD13  LEU   1          3HD1      LEU   1   6.199   0.406   0.480
    9   HD21  LEU   1          3HD2      LEU   1   3.975   3.118   0.273
   10   HD22  LEU   1          1HD2      LEU   1   4.362   2.186  -1.174
   11   HD23  LEU   1          2HD2      LEU   1   5.604   2.480   0.044
   12    H    VAL   2           H        VAL   2   1.402   0.819  -2.973
   13    HA   VAL   2           HA       VAL   2   0.297  -1.876  -3.432
   14    HB   VAL   2           HB       VAL   2  -1.357  -0.041  -3.667
   15   HG11  VAL   2          1HG1      VAL   2  -1.065   1.772  -4.969
   16   HG12  VAL   2          2HG1      VAL   2   0.648   1.389  -4.788
   17   HG13  VAL   2          3HG1      VAL   2  -0.226   0.864  -6.227
   18   HG21  VAL   2          3HG2      VAL   2  -0.824  -1.223  -6.374
   19   HG22  VAL   2          1HG2      VAL   2  -1.342  -2.221  -5.015
   20   HG23  VAL   2          2HG2      VAL   2  -2.372  -0.909  -5.589
   21    H    ARG   3           H        ARG   3   2.570   0.524  -4.466
   22    HA   ARG   3           HA       ARG   3   3.219  -0.948  -6.901
   23    HB2  ARG   3           HB2      ARG   3   3.232   1.741  -6.297
   24    HB3  ARG   3           HB3      ARG   3   4.937   1.317  -6.202
   25    HG2  ARG   3           HG2      ARG   3   3.471   0.316  -8.559
   26    HG3  ARG   3           HG3      ARG   3   3.724   2.060  -8.466
   27    HD2  ARG   3           HD2      ARG   3   5.648   1.452  -9.531
   28    HD3  ARG   3           HD3      ARG   3   6.182   1.315  -7.856
   29    HE   ARG   3           HE       ARG   3   6.374  -0.949  -8.139
   30   HH11  ARG   3          1HH1      ARG   3   4.484   0.374 -10.747
   31   HH12  ARG   3          2HH1      ARG   3   4.451  -1.106 -11.647
   32   HH21  ARG   3          1HH2      ARG   3   6.338  -2.903  -9.315
   33   HH22  ARG   3          2HH2      ARG   3   5.505  -2.970 -10.831
   34    H    TYR   4           H        TYR   4   4.610  -0.106  -3.774
   35    HA   TYR   4           HA       TYR   4   7.016  -1.651  -4.382
   36    HB2  TYR   4           HB2      TYR   4   6.428  -0.133  -1.842
   37    HB3  TYR   4           HB3      TYR   4   7.994  -0.666  -2.444
   38    HD1  TYR   4           HD1      TYR   4   7.862   0.211  -5.260
   39    HD2  TYR   4           HD2      TYR   4   6.616   2.187  -1.705
   40    HE1  TYR   4           HE1      TYR   4   8.181   2.386  -6.364
   41    HE2  TYR   4           HE2      TYR   4   6.930   4.367  -2.799
   42    HH   TYR   4           HH       TYR   4   7.316   4.720  -6.118
   43    H    THR   5           H        THR   5   7.797  -2.729  -2.100
   44    HA   THR   5           HA       THR   5   6.186  -5.032  -1.832
   45    HB   THR   5           HB       THR   5   8.642  -5.008  -1.448
   46    HG1  THR   5           HG1      THR   5   8.512  -6.569   0.115
   47   HG21  THR   5          3HG2      THR   5   9.645  -3.800   0.160
   48   HG22  THR   5          1HG2      THR   5   8.398  -4.172   1.349
   49   HG23  THR   5          2HG2      THR   5   8.148  -2.869   0.187
   50    H    LYS   6           H        LYS   6   5.247  -5.857   0.175
   51    HA   LYS   6           HA       LYS   6   3.320  -4.161   1.251
   52    HB2  LYS   6           HB2      LYS   6   3.679  -6.817   1.288
   53    HB3  LYS   6           HB3      LYS   6   4.230  -6.447   2.916
   54    HG2  LYS   6           HG2      LYS   6   2.089  -6.607   3.498
   55    HG3  LYS   6           HG3      LYS   6   1.895  -5.023   2.742
   56    HD2  LYS   6           HD2      LYS   6   1.608  -7.623   1.245
   57    HD3  LYS   6           HD3      LYS   6   0.253  -6.786   2.005
   58    HE2  LYS   6           HE2      LYS   6   2.052  -5.690  -0.154
   59    HE3  LYS   6           HE3      LYS   6   0.386  -6.230  -0.358
   60    HZ1  LYS   6           HZ1      LYS   6   1.382  -3.724   0.603
   61    HZ2  LYS   6           HZ2      LYS   6   0.240  -4.401   1.651
   62    HZ3  LYS   6           HZ3      LYS   6  -0.159  -4.123   0.031
   63    H    LYS   7           H        LYS   7   6.609  -4.706   2.198
   64    HA   LYS   7           HA       LYS   7   6.227  -3.282   4.725
   65    HB2  LYS   7           HB2      LYS   7   7.821  -5.421   4.060
   66    HB3  LYS   7           HB3      LYS   7   8.957  -4.080   4.006
   67    HG2  LYS   7           HG2      LYS   7   9.180  -4.433   6.196
   68    HG3  LYS   7           HG3      LYS   7   7.633  -3.596   6.340
   69    HD2  LYS   7           HD2      LYS   7   7.826  -6.567   5.915
   70    HD3  LYS   7           HD3      LYS   7   7.841  -5.839   7.523
   71    HE2  LYS   7           HE2      LYS   7   5.679  -5.152   5.571
   72    HE3  LYS   7           HE3      LYS   7   5.595  -6.650   6.496
   73    HZ1  LYS   7           HZ1      LYS   7   6.189  -4.272   8.040
   74    HZ2  LYS   7           HZ2      LYS   7   5.145  -5.556   8.388
   75    HZ3  LYS   7           HZ3      LYS   7   4.642  -4.313   7.357
   76    H    VAL   8           H        VAL   8   8.575  -2.001   5.088
   77    HA   VAL   8           HA       VAL   8   8.243   0.426   3.774
   78    HB   VAL   8           HB       VAL   8   9.459   0.268   5.874
   79   HG11  VAL   8          1HG1      VAL   8  11.689  -1.030   4.314
   80   HG12  VAL   8          2HG1      VAL   8  11.663  -0.675   6.043
   81   HG13  VAL   8          3HG1      VAL   8  10.577  -1.894   5.375
   82   HG21  VAL   8          3HG2      VAL   8   9.900   2.222   4.554
   83   HG22  VAL   8          1HG2      VAL   8  11.414   1.695   5.288
   84   HG23  VAL   8          2HG2      VAL   8  11.094   1.357   3.587
   85    HA   PRO   9           HA       PRO   9  10.004  -0.344  -0.210
   86    HB2  PRO   9           HB2      PRO   9  10.191   2.243  -1.013
   87    HB3  PRO   9           HB3      PRO   9   8.658   1.364  -0.953
   88    HG2  PRO   9           HG2      PRO   9   9.808   3.303   1.017
   89    HG3  PRO   9           HG3      PRO   9   8.144   3.170   0.419
   90    HD2  PRO   9           HD2      PRO   9   8.911   2.187   2.822
   91    HD3  PRO   9           HD3      PRO   9   7.637   1.431   1.844
   92    H    GLN  10           H        GLN  10  12.059  -0.892  -0.536
   93    HA   GLN  10           HA       GLN  10  14.164   1.034   0.160
   94    HB2  GLN  10           HB2      GLN  10  13.747  -1.195   1.655
   95    HB3  GLN  10           HB3      GLN  10  14.880  -1.812   0.461
   96    HG2  GLN  10           HG2      GLN  10  16.589  -0.475   1.181
   97    HG3  GLN  10           HG3      GLN  10  15.502   0.757   1.821
   98   HE21  GLN  10          1HE2      GLN  10  16.104   0.917   3.884
   99   HE22  GLN  10          2HE2      GLN  10  16.149  -0.391   5.011
  100    H    VAL  11           H        VAL  11  16.366  -0.117  -0.748
  101    HA   VAL  11           HA       VAL  11  16.285   0.195  -3.504
  102    HB   VAL  11           HB       VAL  11  18.363   0.338  -2.220
  103   HG11  VAL  11          1HG1      VAL  11  17.859  -1.579  -0.710
  104   HG12  VAL  11          2HG1      VAL  11  18.265  -2.669  -2.036
  105   HG13  VAL  11          3HG1      VAL  11  19.494  -1.595  -1.369
  106   HG21  VAL  11          3HG2      VAL  11  18.394  -0.121  -4.664
  107   HG22  VAL  11          1HG2      VAL  11  19.818  -0.721  -3.814
  108   HG23  VAL  11          2HG2      VAL  11  18.544  -1.840  -4.300
  109    H    SER  12           H        SER  12  15.634  -2.610  -1.560
  110    HA   SER  12           HA       SER  12  15.497  -4.292  -3.966
  111    HB2  SER  12           HB2      SER  12  16.861  -5.334  -2.322
  112    HB3  SER  12           HB3      SER  12  15.716  -4.966  -1.032
  113    HG   SER  12           HG       SER  12  14.905  -6.852  -1.436
  114    H    THR  13           H        THR  13  13.513  -3.623  -4.768
  115    HA   THR  13           HA       THR  13  11.195  -4.507  -3.188
  116    HB   THR  13           HB       THR  13  10.007  -2.551  -4.543
  117    HG1  THR  13           HG1      THR  13  11.518  -1.400  -5.501
  118   HG21  THR  13          3HG2      THR  13  11.127  -1.162  -2.377
  119   HG22  THR  13          1HG2      THR  13  11.072  -2.855  -1.888
  120   HG23  THR  13          2HG2      THR  13   9.598  -2.040  -2.412
  121    HA   PRO  14           HA       PRO  14   9.849  -6.655  -6.771
  122    HB2  PRO  14           HB2      PRO  14   7.154  -6.348  -6.648
  123    HB3  PRO  14           HB3      PRO  14   8.054  -7.387  -5.537
  124    HG2  PRO  14           HG2      PRO  14   7.037  -4.603  -5.121
  125    HG3  PRO  14           HG3      PRO  14   6.995  -5.987  -4.013
  126    HD2  PRO  14           HD2      PRO  14   8.835  -4.011  -3.808
  127    HD3  PRO  14           HD3      PRO  14   9.187  -5.694  -3.364
  128    H    THR  15           H        THR  15  10.029  -6.074  -8.833
  129    HA   THR  15           HA       THR  15   8.539  -3.724  -9.785
  130    HB   THR  15           HB       THR  15  11.255  -4.332 -10.901
  131    HG1  THR  15           HG1      THR  15  12.099  -3.756  -9.053
  132   HG21  THR  15          3HG2      THR  15  10.944  -1.645 -10.918
  133   HG22  THR  15          1HG2      THR  15   9.263  -2.163 -11.035
  134   HG23  THR  15          2HG2      THR  15  10.437  -2.701 -12.236
  135    H    LEU  16           H        LEU  16   6.991  -5.208 -10.619
  136    HA   LEU  16           HA       LEU  16   7.931  -6.749 -12.947
  137    HB2  LEU  16           HB2      LEU  16   6.927  -8.062 -11.084
  138    HB3  LEU  16           HB3      LEU  16   5.417  -7.191 -11.344
  139    HG   LEU  16           HG       LEU  16   5.373  -8.140 -13.664
  140   HD11  LEU  16          1HD1      LEU  16   6.774 -10.278 -13.866
  141   HD12  LEU  16          2HD1      LEU  16   7.780  -9.575 -12.600
  142   HD13  LEU  16          3HD1      LEU  16   7.578  -8.731 -14.135
  143   HD21  LEU  16          3HD2      LEU  16   5.355 -10.052 -11.333
  144   HD22  LEU  16          1HD2      LEU  16   4.672 -10.394 -12.923
  145   HD23  LEU  16          2HD2      LEU  16   3.998  -9.098 -11.934
  Start of MODEL    6
    1    H1   LEU   1           H        LEU   1   2.905  -0.088   1.942
    2    HA   LEU   1           HA       LEU   1   1.364   1.857   0.607
    3    HB2  LEU   1           HB2      LEU   1   3.160   2.702  -0.915
    4    HB3  LEU   1           HB3      LEU   1   3.228   3.307   0.739
    5    HG   LEU   1           HG       LEU   1   4.911   1.160   0.861
    6   HD11  LEU   1          1HD1      LEU   1   6.405   1.851  -1.233
    7   HD12  LEU   1          2HD1      LEU   1   4.811   2.137  -1.931
    8   HD13  LEU   1          3HD1      LEU   1   5.223   0.544  -1.297
    9   HD21  LEU   1          3HD2      LEU   1   6.562   3.272   0.189
   10   HD22  LEU   1          1HD2      LEU   1   5.955   2.889   1.800
   11   HD23  LEU   1          2HD2      LEU   1   5.100   4.055   0.790
   12    H    VAL   2           H        VAL   2   0.487   0.922  -1.131
   13    HA   VAL   2           HA       VAL   2   1.738  -1.543  -2.137
   14    HB   VAL   2           HB       VAL   2  -0.545  -2.025  -3.085
   15   HG11  VAL   2          1HG1      VAL   2  -1.258  -3.058  -1.146
   16   HG12  VAL   2          2HG1      VAL   2   0.452  -2.787  -0.805
   17   HG13  VAL   2          3HG1      VAL   2  -0.766  -1.710  -0.122
   18   HG21  VAL   2          3HG2      VAL   2  -1.167   0.494  -2.798
   19   HG22  VAL   2          1HG2      VAL   2  -2.397  -0.750  -2.575
   20   HG23  VAL   2          2HG2      VAL   2  -1.632  -0.005  -1.171
   21    H    ARG   3           H        ARG   3   2.729   0.922  -3.041
   22    HA   ARG   3           HA       ARG   3   1.596   1.222  -5.730
   23    HB2  ARG   3           HB2      ARG   3   2.226   3.161  -4.011
   24    HB3  ARG   3           HB3      ARG   3   3.804   2.968  -4.763
   25    HG2  ARG   3           HG2      ARG   3   2.641   4.702  -5.907
   26    HG3  ARG   3           HG3      ARG   3   2.716   3.301  -6.977
   27    HD2  ARG   3           HD2      ARG   3   0.434   2.709  -6.402
   28    HD3  ARG   3           HD3      ARG   3   0.355   4.046  -5.255
   29    HE   ARG   3           HE       ARG   3   1.001   4.926  -7.892
   30   HH11  ARG   3          1HH1      ARG   3  -1.622   3.949  -5.821
   31   HH12  ARG   3          2HH1      ARG   3  -2.818   4.851  -6.691
   32   HH21  ARG   3          1HH2      ARG   3  -0.565   6.118  -9.046
   33   HH22  ARG   3          2HH2      ARG   3  -2.215   6.083  -8.526
   34    H    TYR   4           H        TYR   4   4.616   0.527  -4.035
   35    HA   TYR   4           HA       TYR   4   5.787  -0.327  -6.600
   36    HB2  TYR   4           HB2      TYR   4   7.333   0.366  -4.103
   37    HB3  TYR   4           HB3      TYR   4   7.953   0.173  -5.739
   38    HD1  TYR   4           HD2      TYR   4   6.856   1.833  -7.508
   39    HD2  TYR   4           HD1      TYR   4   7.025   2.511  -3.311
   40    HE1  TYR   4           HE2      TYR   4   6.603   4.249  -7.894
   41    HE2  TYR   4           HE1      TYR   4   6.772   4.929  -3.685
   42    HH   TYR   4           HH       TYR   4   7.207   6.387  -6.637
   43    H    THR   5           H        THR   5   6.226  -1.046  -3.132
   44    HA   THR   5           HA       THR   5   6.016  -3.908  -3.774
   45    HB   THR   5           HB       THR   5   8.407  -3.360  -3.574
   46    HG1  THR   5           HG1      THR   5   7.786  -4.746  -1.204
   47   HG21  THR   5          3HG2      THR   5   8.733  -2.957  -0.822
   48   HG22  THR   5          1HG2      THR   5   7.472  -1.829  -1.318
   49   HG23  THR   5          2HG2      THR   5   9.045  -1.799  -2.114
   50    H    LYS   6           H        LYS   6   5.587  -5.262  -1.866
   51    HA   LYS   6           HA       LYS   6   3.405  -4.384  -0.395
   52    HB2  LYS   6           HB2      LYS   6   5.185  -6.722  -0.360
   53    HB3  LYS   6           HB3      LYS   6   4.424  -6.375   1.187
   54    HG2  LYS   6           HG2      LYS   6   2.768  -6.463  -1.295
   55    HG3  LYS   6           HG3      LYS   6   3.262  -7.962  -0.505
   56    HD2  LYS   6           HD2      LYS   6   1.324  -7.628   0.627
   57    HD3  LYS   6           HD3      LYS   6   2.371  -6.626   1.635
   58    HE2  LYS   6           HE2      LYS   6   1.561  -4.653   0.740
   59    HE3  LYS   6           HE3      LYS   6   1.006  -5.433  -0.741
   60    HZ1  LYS   6           HZ1      LYS   6  -0.797  -6.431   0.447
   61    HZ2  LYS   6           HZ2      LYS   6  -0.811  -4.771   0.768
   62    HZ3  LYS   6           HZ3      LYS   6  -0.223  -5.851   1.929
   63    H    LYS   7           H        LYS   7   6.719  -4.909   0.822
   64    HA   LYS   7           HA       LYS   7   6.125  -3.455   3.248
   65    HB2  LYS   7           HB2      LYS   7   7.871  -5.475   2.642
   66    HB3  LYS   7           HB3      LYS   7   8.939  -4.078   2.669
   67    HG2  LYS   7           HG2      LYS   7   9.069  -4.511   4.859
   68    HG3  LYS   7           HG3      LYS   7   7.515  -3.678   4.938
   69    HD2  LYS   7           HD2      LYS   7   7.807  -6.652   4.544
   70    HD3  LYS   7           HD3      LYS   7   7.588  -5.888   6.120
   71    HE2  LYS   7           HE2      LYS   7   5.524  -4.777   4.964
   72    HE3  LYS   7           HE3      LYS   7   5.675  -6.125   3.838
   73    HZ1  LYS   7           HZ1      LYS   7   4.522  -7.305   5.299
   74    HZ2  LYS   7           HZ2      LYS   7   4.627  -6.101   6.482
   75    HZ3  LYS   7           HZ3      LYS   7   5.859  -7.250   6.334
   76    H    VAL   8           H        VAL   8   8.372  -2.061   3.814
   77    HA   VAL   8           HA       VAL   8   7.981   0.371   2.456
   78    HB   VAL   8           HB       VAL   8   8.834   0.323   4.732
   79   HG11  VAL   8          1HG1      VAL   8  10.485  -1.694   3.833
   80   HG12  VAL   8          2HG1      VAL   8  11.592  -0.345   4.099
   81   HG13  VAL   8          3HG1      VAL   8  10.561  -0.914   5.413
   82   HG21  VAL   8          3HG2      VAL   8   9.328   2.303   3.470
   83   HG22  VAL   8          1HG2      VAL   8  10.735   1.909   4.457
   84   HG23  VAL   8          2HG2      VAL   8  10.736   1.539   2.733
   85    HA   PRO   9           HA       PRO   9  10.446  -0.262  -1.163
   86    HB2  PRO   9           HB2      PRO   9  10.552   2.328  -1.969
   87    HB3  PRO   9           HB3      PRO   9   9.109   1.324  -2.151
   88    HG2  PRO   9           HG2      PRO   9   9.746   3.360  -0.051
   89    HG3  PRO   9           HG3      PRO   9   8.223   3.084  -0.917
   90    HD2  PRO   9           HD2      PRO   9   8.652   2.179   1.598
   91    HD3  PRO   9           HD3      PRO   9   7.629   1.314   0.434
   92    H    GLN  10           H        GLN  10  12.525  -0.782  -0.792
   93    HA   GLN  10           HA       GLN  10  14.424   1.372  -0.363
   94    HB2  GLN  10           HB2      GLN  10  13.819  -0.721   1.641
   95    HB3  GLN  10           HB3      GLN  10  15.524  -0.397   1.352
   96    HG2  GLN  10           HG2      GLN  10  13.517   1.738   2.022
   97    HG3  GLN  10           HG3      GLN  10  14.489   0.892   3.226
   98   HE21  GLN  10          1HE2      GLN  10  16.630   1.384   3.447
   99   HE22  GLN  10          2HE2      GLN  10  17.392   2.704   2.634
  100    H    VAL  11           H        VAL  11  14.610  -2.172  -0.084
  101    HA   VAL  11           HA       VAL  11  16.321  -2.192  -2.482
  102    HB   VAL  11           HB       VAL  11  16.777  -3.903  -0.036
  103   HG11  VAL  11          1HG1      VAL  11  18.093  -3.659  -2.704
  104   HG12  VAL  11          2HG1      VAL  11  19.054  -4.118  -1.296
  105   HG13  VAL  11          3HG1      VAL  11  17.675  -5.104  -1.784
  106   HG21  VAL  11          3HG2      VAL  11  18.797  -2.499   0.302
  107   HG22  VAL  11          1HG2      VAL  11  18.207  -1.413  -0.956
  108   HG23  VAL  11          2HG2      VAL  11  17.286  -1.619   0.533
  109    H    SER  12           H        SER  12  14.170  -4.017  -0.356
  110    HA   SER  12           HA       SER  12  13.951  -6.207  -2.234
  111    HB2  SER  12           HB2      SER  12  12.846  -5.611   0.483
  112    HB3  SER  12           HB3      SER  12  12.056  -6.836  -0.509
  113    HG   SER  12           HG       SER  12  14.192  -7.139   0.970
  114    H    THR  13           H        THR  13  12.972  -5.575  -4.088
  115    HA   THR  13           HA       THR  13  10.184  -4.678  -3.854
  116    HB   THR  13           HB       THR  13  10.782  -3.418  -6.120
  117    HG1  THR  13           HG1      THR  13  12.888  -3.447  -6.380
  118   HG21  THR  13          3HG2      THR  13  10.818  -2.597  -3.284
  119   HG22  THR  13          1HG2      THR  13   9.851  -1.990  -4.628
  120   HG23  THR  13          2HG2      THR  13  11.518  -1.451  -4.427
  121    HA   PRO  14           HA       PRO  14   9.211  -7.762  -6.821
  122    HB2  PRO  14           HB2      PRO  14   7.256  -6.565  -8.276
  123    HB3  PRO  14           HB3      PRO  14   7.013  -7.125  -6.617
  124    HG2  PRO  14           HG2      PRO  14   7.583  -4.363  -7.619
  125    HG3  PRO  14           HG3      PRO  14   6.429  -4.887  -6.378
  126    HD2  PRO  14           HD2      PRO  14   8.841  -3.819  -5.766
  127    HD3  PRO  14           HD3      PRO  14   8.057  -5.048  -4.754
  128    H    THR  15           H        THR  15  11.381  -7.484  -7.825
  129    HA   THR  15           HA       THR  15  11.171  -6.267 -10.503
  130    HB   THR  15           HB       THR  15  13.637  -6.039 -10.470
  131    HG1  THR  15           HG1      THR  15  14.630  -7.162  -8.981
  132   HG21  THR  15          3HG2      THR  15  12.460  -4.688  -8.050
  133   HG22  THR  15          1HG2      THR  15  12.039  -4.222  -9.698
  134   HG23  THR  15          2HG2      THR  15  13.706  -4.082  -9.141
  135    H    LEU  16           H        LEU  16  10.195  -8.390 -11.058
  136    HA   LEU  16           HA       LEU  16  12.309 -10.266 -11.837
  137    HB2  LEU  16           HB2      LEU  16   9.845 -10.853 -10.263
  138    HB3  LEU  16           HB3      LEU  16  10.448 -12.064 -11.394
  139    HG   LEU  16           HG       LEU  16  12.026 -10.907  -9.096
  140   HD11  LEU  16          1HD1      LEU  16  10.722 -12.244  -7.862
  141   HD12  LEU  16          2HD1      LEU  16  11.670 -13.553  -8.567
  142   HD13  LEU  16          3HD1      LEU  16  10.113 -13.116  -9.269
  143   HD21  LEU  16          3HD2      LEU  16  13.810 -11.922  -9.945
  144   HD22  LEU  16          1HD2      LEU  16  12.880 -12.208 -11.416
  145   HD23  LEU  16          2HD2      LEU  16  12.921 -13.433 -10.148
  Start of MODEL    7
    1    H1   LEU   1           H        LEU   1   0.155   2.628  -0.374
    2    HA   LEU   1           HA       LEU   1   2.216   2.393  -2.323
    3    HB2  LEU   1           HB2      LEU   1   2.334   3.023   0.198
    4    HB3  LEU   1           HB3      LEU   1   2.439   1.282   0.444
    5    HG   LEU   1           HG       LEU   1   4.342   2.564  -1.455
    6   HD11  LEU   1          1HD1      LEU   1   5.876   2.886   0.548
    7   HD12  LEU   1          2HD1      LEU   1   4.416   2.828   1.535
    8   HD13  LEU   1          3HD1      LEU   1   4.604   4.085   0.312
    9   HD21  LEU   1          3HD2      LEU   1   4.589   0.257  -1.373
   10   HD22  LEU   1          1HD2      LEU   1   4.282   0.185   0.363
   11   HD23  LEU   1          2HD2      LEU   1   5.813   0.825  -0.236
   12    H    VAL   2           H        VAL   2   1.053   0.778  -3.664
   13    HA   VAL   2           HA       VAL   2   1.383  -1.963  -2.640
   14    HB   VAL   2           HB       VAL   2  -0.176  -2.683  -4.372
   15   HG11  VAL   2          1HG1      VAL   2  -1.414  -0.335  -2.961
   16   HG12  VAL   2          2HG1      VAL   2  -2.159  -1.877  -3.388
   17   HG13  VAL   2          3HG1      VAL   2  -0.942  -1.807  -2.113
   18   HG21  VAL   2          3HG2      VAL   2   0.183   0.102  -5.291
   19   HG22  VAL   2          1HG2      VAL   2  -0.097  -1.373  -6.216
   20   HG23  VAL   2          2HG2      VAL   2  -1.446  -0.563  -5.419
   21    H    ARG   3           H        ARG   3   2.285   0.269  -5.159
   22    HA   ARG   3           HA       ARG   3   3.317  -1.445  -7.078
   23    HB2  ARG   3           HB2      ARG   3   3.142   1.205  -6.917
   24    HB3  ARG   3           HB3      ARG   3   4.829   1.044  -6.448
   25    HG2  ARG   3           HG2      ARG   3   5.035  -0.409  -8.577
   26    HG3  ARG   3           HG3      ARG   3   3.520   0.366  -9.045
   27    HD2  ARG   3           HD2      ARG   3   4.639   2.575  -8.619
   28    HD3  ARG   3           HD3      ARG   3   6.153   1.692  -8.428
   29    HE   ARG   3           HE       ARG   3   6.277   1.531 -10.699
   30   HH11  ARG   3          1HH1      ARG   3   2.975   2.182  -9.810
   31   HH12  ARG   3          2HH1      ARG   3   2.431   2.354 -11.446
   32   HH21  ARG   3          1HH2      ARG   3   5.574   1.755 -12.857
   33   HH22  ARG   3          2HH2      ARG   3   3.910   2.110 -13.178
   34    H    TYR   4           H        TYR   4   4.588  -0.561  -3.963
   35    HA   TYR   4           HA       TYR   4   7.103  -1.962  -4.548
   36    HB2  TYR   4           HB2      TYR   4   6.485  -0.330  -2.086
   37    HB3  TYR   4           HB3      TYR   4   8.063  -0.836  -2.680
   38    HD1  TYR   4           HD1      TYR   4   7.864  -0.115  -5.537
   39    HD2  TYR   4           HD2      TYR   4   6.588   1.999  -2.072
   40    HE1  TYR   4           HE1      TYR   4   8.088   2.008  -6.758
   41    HE2  TYR   4           HE2      TYR   4   6.807   4.129  -3.284
   42    HH   TYR   4           HH       TYR   4   8.452   4.763  -5.605
   43    H    THR   5           H        THR   5   7.935  -2.871  -2.203
   44    HA   THR   5           HA       THR   5   6.461  -5.233  -1.809
   45    HB   THR   5           HB       THR   5   8.902  -4.994  -1.348
   46    HG1  THR   5           HG1      THR   5   7.643  -6.738  -0.459
   47   HG21  THR   5          3HG2      THR   5   8.431  -4.040   1.392
   48   HG22  THR   5          1HG2      THR   5   8.213  -2.822   0.136
   49   HG23  THR   5          2HG2      THR   5   9.748  -3.679   0.276
   50    H    LYS   6           H        LYS   6   5.381  -5.985   0.098
   51    HA   LYS   6           HA       LYS   6   3.361  -4.351   1.036
   52    HB2  LYS   6           HB2      LYS   6   4.566  -6.743   2.441
   53    HB3  LYS   6           HB3      LYS   6   2.983  -6.051   2.770
   54    HG2  LYS   6           HG2      LYS   6   3.809  -7.229   0.126
   55    HG3  LYS   6           HG3      LYS   6   2.912  -8.093   1.377
   56    HD2  LYS   6           HD2      LYS   6   1.973  -5.515   0.131
   57    HD3  LYS   6           HD3      LYS   6   1.509  -7.111  -0.463
   58    HE2  LYS   6           HE2      LYS   6   0.992  -6.010   2.299
   59    HE3  LYS   6           HE3      LYS   6  -0.201  -6.206   1.016
   60    HZ1  LYS   6           HZ1      LYS   6   1.045  -8.229   2.720
   61    HZ2  LYS   6           HZ2      LYS   6   0.659  -8.673   1.135
   62    HZ3  LYS   6           HZ3      LYS   6  -0.552  -8.112   2.174
   63    H    LYS   7           H        LYS   7   6.614  -4.737   2.223
   64    HA   LYS   7           HA       LYS   7   6.031  -3.129   4.595
   65    HB2  LYS   7           HB2      LYS   7   8.608  -4.471   3.758
   66    HB3  LYS   7           HB3      LYS   7   8.306  -3.687   5.302
   67    HG2  LYS   7           HG2      LYS   7   6.431  -5.833   4.544
   68    HG3  LYS   7           HG3      LYS   7   8.085  -6.326   4.912
   69    HD2  LYS   7           HD2      LYS   7   6.867  -6.436   6.948
   70    HD3  LYS   7           HD3      LYS   7   7.887  -4.998   7.044
   71    HE2  LYS   7           HE2      LYS   7   6.072  -3.555   6.682
   72    HE3  LYS   7           HE3      LYS   7   5.045  -4.859   6.087
   73    HZ1  LYS   7           HZ1      LYS   7   5.055  -3.878   8.619
   74    HZ2  LYS   7           HZ2      LYS   7   5.966  -5.296   8.767
   75    HZ3  LYS   7           HZ3      LYS   7   4.395  -5.361   8.142
   76    H    VAL   8           H        VAL   8   8.293  -1.754   5.035
   77    HA   VAL   8           HA       VAL   8   8.031   0.565   3.562
   78    HB   VAL   8           HB       VAL   8   9.190   0.527   5.700
   79   HG11  VAL   8          1HG1      VAL   8  10.581  -1.627   4.607
   80   HG12  VAL   8          2HG1      VAL   8  11.786  -0.352   4.803
   81   HG13  VAL   8          3HG1      VAL   8  10.834  -0.888   6.188
   82   HG21  VAL   8          3HG2      VAL   8  11.149   1.940   5.091
   83   HG22  VAL   8          1HG2      VAL   8  10.880   1.506   3.403
   84   HG23  VAL   8          2HG2      VAL   8   9.652   2.413   4.288
   85    HA   PRO   9           HA       PRO   9   9.905  -0.405  -0.326
   86    HB2  PRO   9           HB2      PRO   9  10.097   2.136  -1.262
   87    HB3  PRO   9           HB3      PRO   9   8.569   1.249  -1.197
   88    HG2  PRO   9           HG2      PRO   9   9.652   3.300   0.696
   89    HG3  PRO   9           HG3      PRO   9   8.006   3.122   0.061
   90    HD2  PRO   9           HD2      PRO   9   8.714   2.277   2.535
   91    HD3  PRO   9           HD3      PRO   9   7.472   1.459   1.565
   92    H    GLN  10           H        GLN  10  11.971  -0.921  -0.632
   93    HA   GLN  10           HA       GLN  10  14.043   1.045   0.043
   94    HB2  GLN  10           HB2      GLN  10  13.638  -1.024   1.690
   95    HB3  GLN  10           HB3      GLN  10  14.675  -1.821   0.514
   96    HG2  GLN  10           HG2      GLN  10  16.501  -0.576   1.066
   97    HG3  GLN  10           HG3      GLN  10  15.539   0.809   1.581
   98   HE21  GLN  10          1HE2      GLN  10  16.837  -2.284   2.492
   99   HE22  GLN  10          2HE2      GLN  10  16.572  -2.123   4.191
  100    H    VAL  11           H        VAL  11  16.258   0.112  -0.831
  101    HA   VAL  11           HA       VAL  11  16.165   0.160  -3.595
  102    HB   VAL  11           HB       VAL  11  18.213   0.608  -2.330
  103   HG11  VAL  11          1HG1      VAL  11  17.660  -1.631  -0.925
  104   HG12  VAL  11          2HG1      VAL  11  18.908  -2.236  -2.017
  105   HG13  VAL  11          3HG1      VAL  11  19.245  -0.859  -0.966
  106   HG21  VAL  11          3HG2      VAL  11  19.699  -0.200  -3.925
  107   HG22  VAL  11          1HG2      VAL  11  18.831  -1.725  -4.104
  108   HG23  VAL  11          2HG2      VAL  11  18.153  -0.240  -4.771
  109    H    SER  12           H        SER  12  15.864  -2.544  -1.413
  110    HA   SER  12           HA       SER  12  15.924  -4.435  -3.652
  111    HB2  SER  12           HB2      SER  12  15.948  -6.182  -1.894
  112    HB3  SER  12           HB3      SER  12  17.284  -5.045  -1.720
  113    HG   SER  12           HG       SER  12  16.476  -5.150   0.282
  114    H    THR  13           H        THR  13  13.857  -3.466  -4.393
  115    HA   THR  13           HA       THR  13  11.556  -4.556  -2.907
  116    HB   THR  13           HB       THR  13  10.333  -2.844  -4.545
  117    HG1  THR  13           HG1      THR  13  11.603  -1.299  -5.273
  118   HG21  THR  13          3HG2      THR  13  10.767  -1.085  -2.653
  119   HG22  THR  13          1HG2      THR  13  11.592  -2.430  -1.866
  120   HG23  THR  13          2HG2      THR  13   9.887  -2.571  -2.296
  121    HA   PRO  14           HA       PRO  14  10.497  -7.185  -6.257
  122    HB2  PRO  14           HB2      PRO  14   7.787  -7.032  -6.274
  123    HB3  PRO  14           HB3      PRO  14   8.693  -7.878  -5.015
  124    HG2  PRO  14           HG2      PRO  14   7.502  -5.132  -4.971
  125    HG3  PRO  14           HG3      PRO  14   7.488  -6.377  -3.709
  126    HD2  PRO  14           HD2      PRO  14   9.203  -4.282  -3.670
  127    HD3  PRO  14           HD3      PRO  14   9.629  -5.876  -3.016
  128    H    THR  15           H        THR  15  10.986  -6.619  -8.286
  129    HA   THR  15           HA       THR  15   9.520  -4.391  -9.529
  130    HB   THR  15           HB       THR  15  11.477  -4.793 -11.299
  131    HG1  THR  15           HG1      THR  15  12.739  -6.296 -10.434
  132   HG21  THR  15          3HG2      THR  15  10.915  -2.734  -9.933
  133   HG22  THR  15          1HG2      THR  15  12.615  -2.940 -10.353
  134   HG23  THR  15          2HG2      THR  15  12.055  -3.334  -8.728
  135    H    LEU  16           H        LEU  16   7.755  -5.246 -10.480
  136    HA   LEU  16           HA       LEU  16   8.064  -7.679 -12.093
  137    HB2  LEU  16           HB2      LEU  16   6.223  -7.237 -10.262
  138    HB3  LEU  16           HB3      LEU  16   5.423  -6.397 -11.589
  139    HG   LEU  16           HG       LEU  16   6.352  -9.221 -11.938
  140   HD11  LEU  16          1HD1      LEU  16   5.090  -9.650 -10.079
  141   HD12  LEU  16          2HD1      LEU  16   3.841  -9.692 -11.323
  142   HD13  LEU  16          3HD1      LEU  16   4.045  -8.251 -10.327
  143   HD21  LEU  16          3HD2      LEU  16   3.857  -8.659 -13.127
  144   HD22  LEU  16          1HD2      LEU  16   5.410  -8.917 -13.922
  145   HD23  LEU  16          2HD2      LEU  16   4.913  -7.287 -13.466
  Start of MODEL    8
    1    H1   LEU   1           H        LEU   1   0.321   2.347  -0.538
    2    HA   LEU   1           HA       LEU   1   2.720   2.414  -2.230
    3    HB2  LEU   1           HB2      LEU   1   3.012   3.088   0.278
    4    HB3  LEU   1           HB3      LEU   1   2.886   1.353   0.557
    5    HG   LEU   1           HG       LEU   1   5.213   2.103   0.475
    6   HD11  LEU   1          1HD1      LEU   1   5.980   0.299  -0.708
    7   HD12  LEU   1          2HD1      LEU   1   4.844   0.542  -2.034
    8   HD13  LEU   1          3HD1      LEU   1   4.285  -0.144  -0.509
    9   HD21  LEU   1          3HD2      LEU   1   4.821   2.723  -2.436
   10   HD22  LEU   1          1HD2      LEU   1   6.200   3.097  -1.401
   11   HD23  LEU   1          2HD2      LEU   1   4.679   3.965  -1.191
   12    H    VAL   2           H        VAL   2   1.612   0.915  -3.574
   13    HA   VAL   2           HA       VAL   2   1.469  -1.800  -2.433
   14    HB   VAL   2           HB       VAL   2  -0.246  -0.667  -4.648
   15   HG11  VAL   2          1HG1      VAL   2   0.080  -2.939  -5.153
   16   HG12  VAL   2          2HG1      VAL   2  -0.022  -3.417  -3.457
   17   HG13  VAL   2          3HG1      VAL   2  -1.468  -2.876  -4.311
   18   HG21  VAL   2          3HG2      VAL   2  -0.947   0.200  -2.514
   19   HG22  VAL   2          1HG2      VAL   2  -2.098  -1.031  -3.035
   20   HG23  VAL   2          2HG2      VAL   2  -0.899  -1.410  -1.798
   21    H    ARG   3           H        ARG   3   2.332   0.206  -5.180
   22    HA   ARG   3           HA       ARG   3   3.040  -1.693  -7.053
   23    HB2  ARG   3           HB2      ARG   3   3.150   0.963  -7.037
   24    HB3  ARG   3           HB3      ARG   3   4.846   0.651  -6.693
   25    HG2  ARG   3           HG2      ARG   3   3.671  -0.863  -8.935
   26    HG3  ARG   3           HG3      ARG   3   3.855   0.877  -9.167
   27    HD2  ARG   3           HD2      ARG   3   6.179   0.782  -8.864
   28    HD3  ARG   3           HD3      ARG   3   6.104  -0.823  -8.138
   29    HE   ARG   3           HE       ARG   3   5.157  -1.207 -10.654
   30   HH11  ARG   3          1HH1      ARG   3   8.053   0.214  -9.344
   31   HH12  ARG   3          2HH1      ARG   3   9.036  -0.216 -10.704
   32   HH21  ARG   3          1HH2      ARG   3   6.441  -1.779 -12.451
   33   HH22  ARG   3          2HH2      ARG   3   8.118  -1.349 -12.471
   34    H    TYR   4           H        TYR   4   4.697  -0.758  -4.131
   35    HA   TYR   4           HA       TYR   4   6.993  -2.442  -4.838
   36    HB2  TYR   4           HB2      TYR   4   6.736  -0.681  -2.402
   37    HB3  TYR   4           HB3      TYR   4   8.205  -1.348  -3.105
   38    HD1  TYR   4           HD2      TYR   4   7.808  -0.699  -5.965
   39    HD2  TYR   4           HD1      TYR   4   7.062   1.629  -2.483
   40    HE1  TYR   4           HE2      TYR   4   8.116   1.356  -7.280
   41    HE2  TYR   4           HE1      TYR   4   7.365   3.691  -3.789
   42    HH   TYR   4           HH       TYR   4   8.172   3.572  -7.248
   43    H    THR   5           H        THR   5   7.899  -3.231  -2.409
   44    HA   THR   5           HA       THR   5   6.335  -5.501  -1.854
   45    HB   THR   5           HB       THR   5   8.788  -5.353  -1.449
   46    HG1  THR   5           HG1      THR   5   8.510  -6.940  -0.073
   47   HG21  THR   5          3HG2      THR   5   8.112  -3.089   0.022
   48   HG22  THR   5          1HG2      THR   5   9.698  -3.854  -0.066
   49   HG23  THR   5          2HG2      THR   5   8.584  -4.281   1.233
   50    H    LYS   6           H        LYS   6   5.361  -6.099   0.204
   51    HA   LYS   6           HA       LYS   6   3.413  -4.291   1.060
   52    HB2  LYS   6           HB2      LYS   6   4.483  -6.769   2.421
   53    HB3  LYS   6           HB3      LYS   6   3.035  -5.909   2.928
   54    HG2  LYS   6           HG2      LYS   6   3.220  -6.807   0.102
   55    HG3  LYS   6           HG3      LYS   6   2.914  -8.014   1.354
   56    HD2  LYS   6           HD2      LYS   6   0.766  -7.401   0.829
   57    HD3  LYS   6           HD3      LYS   6   1.110  -6.268   2.138
   58    HE2  LYS   6           HE2      LYS   6   1.362  -4.476   0.692
   59    HE3  LYS   6           HE3      LYS   6   1.704  -5.511  -0.693
   60    HZ1  LYS   6           HZ1      LYS   6  -0.943  -5.314   0.637
   61    HZ2  LYS   6           HZ2      LYS   6  -0.584  -6.162  -0.782
   62    HZ3  LYS   6           HZ3      LYS   6  -0.514  -4.472  -0.766
   63    H    LYS   7           H        LYS   7   6.675  -4.774   2.116
   64    HA   LYS   7           HA       LYS   7   6.267  -3.175   4.526
   65    HB2  LYS   7           HB2      LYS   7   7.901  -5.317   4.006
   66    HB3  LYS   7           HB3      LYS   7   9.012  -3.963   3.844
   67    HG2  LYS   7           HG2      LYS   7   9.201  -4.544   6.075
   68    HG3  LYS   7           HG3      LYS   7   8.066  -3.192   6.110
   69    HD2  LYS   7           HD2      LYS   7   7.184  -4.871   7.542
   70    HD3  LYS   7           HD3      LYS   7   6.210  -4.893   6.071
   71    HE2  LYS   7           HE2      LYS   7   7.097  -6.900   5.357
   72    HE3  LYS   7           HE3      LYS   7   8.577  -6.698   6.293
   73    HZ1  LYS   7           HZ1      LYS   7   6.759  -8.375   7.051
   74    HZ2  LYS   7           HZ2      LYS   7   6.024  -7.002   7.711
   75    HZ3  LYS   7           HZ3      LYS   7   7.582  -7.443   8.199
   76    H    VAL   8           H        VAL   8   8.317  -1.654   4.910
   77    HA   VAL   8           HA       VAL   8   8.004   0.581   3.324
   78    HB   VAL   8           HB       VAL   8   9.055   0.699   5.514
   79   HG11  VAL   8          1HG1      VAL   8  11.259  -0.099   5.964
   80   HG12  VAL   8          2HG1      VAL   8  10.341  -1.435   5.266
   81   HG13  VAL   8          3HG1      VAL   8  11.502  -0.549   4.277
   82   HG21  VAL   8          3HG2      VAL   8  10.963   2.194   4.937
   83   HG22  VAL   8          1HG2      VAL   8  10.800   1.676   3.259
   84   HG23  VAL   8          2HG2      VAL   8   9.483   2.547   4.044
   85    HA   PRO   9           HA       PRO   9  10.120  -0.442  -0.424
   86    HB2  PRO   9           HB2      PRO   9  10.220   2.065  -1.461
   87    HB3  PRO   9           HB3      PRO   9   8.741   1.097  -1.429
   88    HG2  PRO   9           HG2      PRO   9   9.615   3.283   0.420
   89    HG3  PRO   9           HG3      PRO   9   8.015   2.986  -0.284
   90    HD2  PRO   9           HD2      PRO   9   8.643   2.286   2.256
   91    HD3  PRO   9           HD3      PRO   9   7.497   1.359   1.265
   92    H    GLN  10           H        GLN  10  12.223  -0.875  -0.558
   93    HA   GLN  10           HA       GLN  10  14.149   1.236   0.130
   94    HB2  GLN  10           HB2      GLN  10  14.555  -1.676   0.812
   95    HB3  GLN  10           HB3      GLN  10  15.580  -0.321   1.264
   96    HG2  GLN  10           HG2      GLN  10  13.441   0.543   2.465
   97    HG3  GLN  10           HG3      GLN  10  12.935  -1.143   2.363
   98   HE21  GLN  10          1HE2      GLN  10  15.033   1.127   3.868
   99   HE22  GLN  10          2HE2      GLN  10  15.732   0.048   5.022
  100    H    VAL  11           H        VAL  11  16.480  -0.011  -0.479
  101    HA   VAL  11           HA       VAL  11  16.691   0.230  -3.226
  102    HB   VAL  11           HB       VAL  11  18.858  -0.935  -3.040
  103   HG11  VAL  11          1HG1      VAL  11  19.611   1.045  -2.377
  104   HG12  VAL  11          2HG1      VAL  11  18.037   1.420  -1.673
  105   HG13  VAL  11          3HG1      VAL  11  19.268   0.612  -0.702
  106   HG21  VAL  11          3HG2      VAL  11  18.478  -2.687  -1.528
  107   HG22  VAL  11          1HG2      VAL  11  19.543  -1.580  -0.663
  108   HG23  VAL  11          2HG2      VAL  11  17.817  -1.605  -0.303
  109    H    SER  12           H        SER  12  15.784  -2.535  -1.309
  110    HA   SER  12           HA       SER  12  15.694  -4.192  -3.741
  111    HB2  SER  12           HB2      SER  12  15.543  -5.197  -0.897
  112    HB3  SER  12           HB3      SER  12  15.858  -6.131  -2.359
  113    HG   SER  12           HG       SER  12  17.745  -5.593  -1.055
  114    H    THR  13           H        THR  13  13.739  -4.071  -4.636
  115    HA   THR  13           HA       THR  13  11.422  -4.793  -3.033
  116    HB   THR  13           HB       THR  13  10.201  -2.828  -4.356
  117    HG1  THR  13           HG1      THR  13  12.855  -1.873  -3.929
  118   HG21  THR  13          3HG2      THR  13  11.246  -3.180  -1.696
  119   HG22  THR  13          1HG2      THR  13   9.752  -2.399  -2.214
  120   HG23  THR  13          2HG2      THR  13  11.251  -1.473  -2.139
  121    HA   PRO  14           HA       PRO  14  10.129  -6.885  -6.668
  122    HB2  PRO  14           HB2      PRO  14   7.428  -6.639  -6.545
  123    HB3  PRO  14           HB3      PRO  14   8.348  -7.685  -5.456
  124    HG2  PRO  14           HG2      PRO  14   7.270  -4.933  -4.978
  125    HG3  PRO  14           HG3      PRO  14   7.256  -6.343  -3.902
  126    HD2  PRO  14           HD2      PRO  14   9.053  -4.334  -3.647
  127    HD3  PRO  14           HD3      PRO  14   9.440  -6.018  -3.241
  128    H    THR  15           H        THR  15  10.189  -6.320  -8.745
  129    HA   THR  15           HA       THR  15   9.117  -3.693  -9.522
  130    HB   THR  15           HB       THR  15  11.112  -5.379 -11.044
  131    HG1  THR  15           HG1      THR  15  11.950  -4.631  -9.018
  132   HG21  THR  15          3HG2      THR  15  11.346  -3.610 -12.507
  133   HG22  THR  15          1HG2      THR  15  10.754  -2.427 -11.342
  134   HG23  THR  15          2HG2      THR  15   9.624  -3.520 -12.142
  135    H    LEU  16           H        LEU  16   6.990  -4.906  -9.491
  136    HA   LEU  16           HA       LEU  16   6.348  -6.910 -11.320
  137    HB2  LEU  16           HB2      LEU  16   4.981  -5.830  -9.384
  138    HB3  LEU  16           HB3      LEU  16   4.402  -4.743 -10.644
  139    HG   LEU  16           HG       LEU  16   4.179  -7.714 -10.969
  140   HD11  LEU  16          1HD1      LEU  16   3.136  -6.582  -8.771
  141   HD12  LEU  16          2HD1      LEU  16   2.369  -7.912  -9.638
  142   HD13  LEU  16          3HD1      LEU  16   1.840  -6.254  -9.922
  143   HD21  LEU  16          3HD2      LEU  16   3.317  -5.333 -12.377
  144   HD22  LEU  16          1HD2      LEU  16   1.968  -6.407 -12.007
  145   HD23  LEU  16          2HD2      LEU  16   3.354  -7.014 -12.915
  Start of MODEL    9
    1    H1   LEU   1           H        LEU   1   1.548  -0.781   1.268
    2    HA   LEU   1           HA       LEU   1   1.860   1.319  -0.751
    3    HB2  LEU   1           HB2      LEU   1   3.648   1.692   0.829
    4    HB3  LEU   1           HB3      LEU   1   4.110  -0.007   0.753
    5    HG   LEU   1           HG       LEU   1   4.493   0.545  -1.790
    6   HD11  LEU   1          1HD1      LEU   1   5.599   3.051  -1.355
    7   HD12  LEU   1          2HD1      LEU   1   4.001   3.140  -0.614
    8   HD13  LEU   1          3HD1      LEU   1   4.162   2.680  -2.309
    9   HD21  LEU   1          3HD2      LEU   1   6.102   0.225   0.423
   10   HD22  LEU   1          1HD2      LEU   1   6.674   1.738  -0.280
   11   HD23  LEU   1          2HD2      LEU   1   6.642   0.269  -1.256
   12    H    VAL   2           H        VAL   2   1.459   0.428  -2.654
   13    HA   VAL   2           HA       VAL   2   2.254  -2.377  -3.096
   14    HB   VAL   2           HB       VAL   2   0.014  -0.884  -4.467
   15   HG11  VAL   2          1HG1      VAL   2  -0.449  -3.528  -4.860
   16   HG12  VAL   2          2HG1      VAL   2   0.380  -2.478  -6.011
   17   HG13  VAL   2          3HG1      VAL   2   1.313  -3.482  -4.901
   18   HG21  VAL   2          3HG2      VAL   2   0.024  -2.806  -2.159
   19   HG22  VAL   2          1HG2      VAL   2  -0.732  -1.216  -2.269
   20   HG23  VAL   2          2HG2      VAL   2  -1.400  -2.575  -3.173
   21    H    ARG   3           H        ARG   3   2.465   0.885  -4.199
   22    HA   ARG   3           HA       ARG   3   3.122   0.620  -6.865
   23    HB2  ARG   3           HB2      ARG   3   4.169   2.528  -4.776
   24    HB3  ARG   3           HB3      ARG   3   4.576   2.668  -6.481
   25    HG2  ARG   3           HG2      ARG   3   2.405   3.228  -7.084
   26    HG3  ARG   3           HG3      ARG   3   1.721   2.572  -5.595
   27    HD2  ARG   3           HD2      ARG   3   2.769   4.377  -4.320
   28    HD3  ARG   3           HD3      ARG   3   3.461   5.027  -5.806
   29    HE   ARG   3           HE       ARG   3   0.622   4.785  -5.957
   30   HH11  ARG   3          1HH1      ARG   3   3.209   6.769  -4.736
   31   HH12  ARG   3          2HH1      ARG   3   2.268   8.225  -4.738
   32   HH21  ARG   3          1HH2      ARG   3  -0.626   6.694  -5.964
   33   HH22  ARG   3          2HH2      ARG   3   0.087   8.180  -5.435
   34    H    TYR   4           H        TYR   4   5.163   0.135  -4.028
   35    HA   TYR   4           HA       TYR   4   7.291  -0.865  -5.804
   36    HB2  TYR   4           HB2      TYR   4   7.673   0.052  -2.956
   37    HB3  TYR   4           HB3      TYR   4   8.909  -0.233  -4.176
   38    HD1  TYR   4           HD1      TYR   4   8.709   1.278  -6.328
   39    HD2  TYR   4           HD2      TYR   4   6.992   2.225  -2.552
   40    HE1  TYR   4           HE1      TYR   4   8.633   3.653  -6.964
   41    HE2  TYR   4           HE2      TYR   4   6.911   4.602  -3.178
   42    HH   TYR   4           HH       TYR   4   8.207   5.729  -6.282
   43    H    THR   5           H        THR   5   6.393  -1.303  -2.382
   44    HA   THR   5           HA       THR   5   5.980  -4.140  -2.780
   45    HB   THR   5           HB       THR   5   8.451  -3.937  -2.494
   46    HG1  THR   5           HG1      THR   5   8.508  -5.682  -1.155
   47   HG21  THR   5          3HG2      THR   5   7.825  -2.062  -0.578
   48   HG22  THR   5          1HG2      THR   5   9.408  -2.801  -0.813
   49   HG23  THR   5          2HG2      THR   5   8.294  -3.465   0.382
   50    H    LYS   6           H        LYS   6   5.012  -5.179  -0.972
   51    HA   LYS   6           HA       LYS   6   3.117  -3.705   0.400
   52    HB2  LYS   6           HB2      LYS   6   4.292  -6.427   0.777
   53    HB3  LYS   6           HB3      LYS   6   3.236  -5.784   2.027
   54    HG2  LYS   6           HG2      LYS   6   2.306  -5.679  -0.793
   55    HG3  LYS   6           HG3      LYS   6   2.300  -7.234   0.043
   56    HD2  LYS   6           HD2      LYS   6   0.543  -6.663   1.309
   57    HD3  LYS   6           HD3      LYS   6   1.199  -5.059   1.647
   58    HE2  LYS   6           HE2      LYS   6  -0.586  -4.410   0.414
   59    HE3  LYS   6           HE3      LYS   6   0.526  -4.717  -0.919
   60    HZ1  LYS   6           HZ1      LYS   6  -1.749  -6.331   0.008
   61    HZ2  LYS   6           HZ2      LYS   6  -0.461  -7.094  -0.778
   62    HZ3  LYS   6           HZ3      LYS   6  -1.329  -5.875  -1.566
   63    H    LYS   7           H        LYS   7   6.424  -4.429   1.271
   64    HA   LYS   7           HA       LYS   7   6.078  -3.257   3.923
   65    HB2  LYS   7           HB2      LYS   7   8.379  -4.675   2.584
   66    HB3  LYS   7           HB3      LYS   7   8.539  -3.879   4.144
   67    HG2  LYS   7           HG2      LYS   7   6.273  -5.720   3.970
   68    HG3  LYS   7           HG3      LYS   7   7.852  -6.484   3.773
   69    HD2  LYS   7           HD2      LYS   7   7.245  -6.499   6.108
   70    HD3  LYS   7           HD3      LYS   7   8.597  -5.390   5.866
   71    HE2  LYS   7           HE2      LYS   7   7.022  -4.348   7.340
   72    HE3  LYS   7           HE3      LYS   7   6.960  -3.516   5.786
   73    HZ1  LYS   7           HZ1      LYS   7   4.987  -4.821   5.230
   74    HZ2  LYS   7           HZ2      LYS   7   4.746  -3.899   6.628
   75    HZ3  LYS   7           HZ3      LYS   7   5.034  -5.561   6.751
   76    H    VAL   8           H        VAL   8   8.301  -1.967   4.494
   77    HA   VAL   8           HA       VAL   8   8.033   0.554   3.392
   78    HB   VAL   8           HB       VAL   8   9.187   0.196   5.501
   79   HG11  VAL   8          1HG1      VAL   8  10.566  -1.783   4.115
   80   HG12  VAL   8          2HG1      VAL   8  11.780  -0.554   4.476
   81   HG13  VAL   8          3HG1      VAL   8  10.835  -1.272   5.781
   82   HG21  VAL   8          3HG2      VAL   8  10.886   1.501   3.380
   83   HG22  VAL   8          1HG2      VAL   8   9.660   2.268   4.390
   84   HG23  VAL   8          2HG2      VAL   8  11.155   1.676   5.114
   85    HA   PRO   9           HA       PRO   9   9.914   0.177  -0.594
   86    HB2  PRO   9           HB2      PRO   9  10.115   2.829  -1.137
   87    HB3  PRO   9           HB3      PRO   9   8.585   1.947  -1.208
   88    HG2  PRO   9           HG2      PRO   9   9.668   3.687   0.974
   89    HG3  PRO   9           HG3      PRO   9   8.023   3.611   0.317
   90    HD2  PRO   9           HD2      PRO   9   8.723   2.401   2.636
   91    HD3  PRO   9           HD3      PRO   9   7.481   1.741   1.552
   92    H    GLN  10           H        GLN  10  11.979  -0.451  -0.720
   93    HA   GLN  10           HA       GLN  10  14.069   1.496  -0.101
   94    HB2  GLN  10           HB2      GLN  10  14.279  -1.367   0.824
   95    HB3  GLN  10           HB3      GLN  10  15.379  -0.042   1.177
   96    HG2  GLN  10           HG2      GLN  10  13.561   1.062   2.447
   97    HG3  GLN  10           HG3      GLN  10  12.562  -0.365   2.179
   98   HE21  GLN  10          1HE2      GLN  10  15.059   1.047   4.027
   99   HE22  GLN  10          2HE2      GLN  10  15.351  -0.290   5.081
  100    H    VAL  11           H        VAL  11  16.290   0.043  -0.615
  101    HA   VAL  11           HA       VAL  11  16.498   0.025  -3.366
  102    HB   VAL  11           HB       VAL  11  18.125  -1.686  -1.481
  103   HG11  VAL  11          1HG1      VAL  11  18.888  -2.419  -3.482
  104   HG12  VAL  11          2HG1      VAL  11  18.347  -0.975  -4.341
  105   HG13  VAL  11          3HG1      VAL  11  19.838  -0.936  -3.399
  106   HG21  VAL  11          3HG2      VAL  11  18.759   0.250  -0.567
  107   HG22  VAL  11          1HG2      VAL  11  19.590   0.574  -2.089
  108   HG23  VAL  11          2HG2      VAL  11  17.961   1.195  -1.824
  109    H    SER  12           H        SER  12  15.521  -2.565  -1.208
  110    HA   SER  12           HA       SER  12  15.427  -4.497  -3.380
  111    HB2  SER  12           HB2      SER  12  16.200  -5.210  -1.144
  112    HB3  SER  12           HB3      SER  12  14.622  -4.795  -0.475
  113    HG   SER  12           HG       SER  12  14.958  -7.064  -1.059
  114    H    THR  13           H        THR  13  13.591  -5.329  -4.286
  115    HA   THR  13           HA       THR  13  10.971  -4.829  -3.290
  116    HB   THR  13           HB       THR  13  10.538  -3.579  -5.683
  117    HG1  THR  13           HG1      THR  13  12.793  -3.279  -6.004
  118   HG21  THR  13          3HG2      THR  13  10.558  -2.877  -2.872
  119   HG22  THR  13          1HG2      THR  13   9.435  -2.393  -4.142
  120   HG23  THR  13          2HG2      THR  13  10.927  -1.486  -3.892
  121    HA   PRO  14           HA       PRO  14   9.992  -8.192  -5.933
  122    HB2  PRO  14           HB2      PRO  14   7.409  -7.676  -6.590
  123    HB3  PRO  14           HB3      PRO  14   7.902  -8.207  -4.978
  124    HG2  PRO  14           HG2      PRO  14   7.291  -5.445  -5.958
  125    HG3  PRO  14           HG3      PRO  14   6.817  -6.223  -4.436
  126    HD2  PRO  14           HD2      PRO  14   8.882  -4.479  -4.599
  127    HD3  PRO  14           HD3      PRO  14   8.866  -5.835  -3.454
  128    H    THR  15           H        THR  15  10.826  -8.434  -7.905
  129    HA   THR  15           HA       THR  15   9.946  -6.596 -10.037
  130    HB   THR  15           HB       THR  15  12.242  -6.105  -9.680
  131    HG1  THR  15           HG1      THR  15  11.929  -6.261 -11.854
  132   HG21  THR  15          3HG2      THR  15  12.405  -8.919  -9.024
  133   HG22  THR  15          1HG2      THR  15  13.499  -7.603  -8.601
  134   HG23  THR  15          2HG2      THR  15  13.685  -8.443 -10.140
  135    H    LEU  16           H        LEU  16   8.490  -7.716 -11.183
  136    HA   LEU  16           HA       LEU  16   9.348 -10.204 -12.428
  137    HB2  LEU  16           HB2      LEU  16   7.932 -10.514 -10.226
  138    HB3  LEU  16           HB3      LEU  16   6.589 -10.160 -11.310
  139    HG   LEU  16           HG       LEU  16   6.904 -12.564 -11.008
  140   HD11  LEU  16          1HD1      LEU  16   6.160 -11.473 -13.205
  141   HD12  LEU  16          2HD1      LEU  16   6.660 -13.163 -13.247
  142   HD13  LEU  16          3HD1      LEU  16   7.762 -11.905 -13.803
  143   HD21  LEU  16          3HD2      LEU  16   9.464 -12.237 -10.738
  144   HD22  LEU  16          1HD2      LEU  16   9.494 -12.401 -12.494
  145   HD23  LEU  16          2HD2      LEU  16   8.854 -13.708 -11.497
  Start of MODEL   10
    1    H1   LEU   1           H        LEU   1   0.213   1.326  -0.558
    2    HA   LEU   1           HA       LEU   1   2.440   2.560  -2.025
    3    HB2  LEU   1           HB2      LEU   1   2.718   2.469   0.528
    4    HB3  LEU   1           HB3      LEU   1   2.896   0.729   0.307
    5    HG   LEU   1           HG       LEU   1   4.762   1.474  -1.398
    6   HD11  LEU   1          1HD1      LEU   1   4.654   3.777  -1.413
    7   HD12  LEU   1          2HD1      LEU   1   5.934   3.481  -0.238
    8   HD13  LEU   1          3HD1      LEU   1   4.307   3.879   0.313
    9   HD21  LEU   1          3HD2      LEU   1   4.981   0.136   0.718
   10   HD22  LEU   1          1HD2      LEU   1   5.274   1.656   1.563
   11   HD23  LEU   1          2HD2      LEU   1   6.385   1.120   0.302
   12    H    VAL   2           H        VAL   2   0.294   0.646  -2.749
   13    HA   VAL   2           HA       VAL   2   1.250  -1.981  -2.914
   14    HB   VAL   2           HB       VAL   2  -0.571  -0.563  -4.865
   15   HG11  VAL   2          1HG1      VAL   2   0.233  -2.600  -5.830
   16   HG12  VAL   2          2HG1      VAL   2  -0.074  -3.488  -4.337
   17   HG13  VAL   2          3HG1      VAL   2  -1.423  -2.868  -5.289
   18   HG21  VAL   2          3HG2      VAL   2  -1.893  -2.333  -3.032
   19   HG22  VAL   2          1HG2      VAL   2  -0.962  -1.126  -2.145
   20   HG23  VAL   2          2HG2      VAL   2  -2.171  -0.616  -3.323
   21    H    ARG   3           H        ARG   3   2.048   0.857  -4.733
   22    HA   ARG   3           HA       ARG   3   2.977  -0.176  -7.118
   23    HB2  ARG   3           HB2      ARG   3   2.916   2.283  -6.110
   24    HB3  ARG   3           HB3      ARG   3   4.608   1.930  -5.782
   25    HG2  ARG   3           HG2      ARG   3   4.743   2.917  -7.844
   26    HG3  ARG   3           HG3      ARG   3   4.650   1.212  -8.288
   27    HD2  ARG   3           HD2      ARG   3   3.155   2.415  -9.706
   28    HD3  ARG   3           HD3      ARG   3   2.184   1.499  -8.555
   29    HE   ARG   3           HE       ARG   3   1.347   3.473  -7.788
   30   HH11  ARG   3          1HH1      ARG   3   4.370   4.104  -9.394
   31   HH12  ARG   3          2HH1      ARG   3   4.242   5.825  -9.240
   32   HH21  ARG   3          1HH2      ARG   3   1.166   5.737  -7.580
   33   HH22  ARG   3          2HH2      ARG   3   2.419   6.753  -8.207
   34    H    TYR   4           H        TYR   4   4.590  -0.055  -3.979
   35    HA   TYR   4           HA       TYR   4   6.863  -1.534  -5.106
   36    HB2  TYR   4           HB2      TYR   4   6.705  -0.326  -2.347
   37    HB3  TYR   4           HB3      TYR   4   8.143  -0.827  -3.229
   38    HD1  TYR   4           HD1      TYR   4   7.646   0.413  -5.870
   39    HD2  TYR   4           HD2      TYR   4   7.048   1.949  -1.948
   40    HE1  TYR   4           HE1      TYR   4   7.919   2.701  -6.731
   41    HE2  TYR   4           HE2      TYR   4   7.318   4.241  -2.797
   42    HH   TYR   4           HH       TYR   4   8.595   4.945  -5.810
   43    H    THR   5           H        THR   5   7.849  -2.846  -2.976
   44    HA   THR   5           HA       THR   5   6.337  -5.185  -2.856
   45    HB   THR   5           HB       THR   5   8.782  -5.044  -2.384
   46    HG1  THR   5           HG1      THR   5   7.508  -6.883  -1.744
   47   HG21  THR   5          3HG2      THR   5   9.623  -3.857  -0.687
   48   HG22  THR   5          1HG2      THR   5   8.485  -4.560   0.460
   49   HG23  THR   5          2HG2      THR   5   8.017  -3.155  -0.497
   50    H    LYS   6           H        LYS   6   5.716  -6.220  -0.666
   51    HA   LYS   6           HA       LYS   6   3.685  -4.525   0.504
   52    HB2  LYS   6           HB2      LYS   6   3.561  -7.073  -0.128
   53    HB3  LYS   6           HB3      LYS   6   4.267  -7.299   1.467
   54    HG2  LYS   6           HG2      LYS   6   2.080  -7.416   2.035
   55    HG3  LYS   6           HG3      LYS   6   2.289  -5.668   2.152
   56    HD2  LYS   6           HD2      LYS   6   1.495  -6.859  -0.465
   57    HD3  LYS   6           HD3      LYS   6   0.281  -6.699   0.807
   58    HE2  LYS   6           HE2      LYS   6   1.170  -4.259   0.971
   59    HE3  LYS   6           HE3      LYS   6   1.803  -4.572  -0.644
   60    HZ1  LYS   6           HZ1      LYS   6  -0.756  -5.460  -0.785
   61    HZ2  LYS   6           HZ2      LYS   6  -0.206  -3.961  -1.343
   62    HZ3  LYS   6           HZ3      LYS   6  -0.897  -4.088   0.195
   63    H    LYS   7           H        LYS   7   5.874  -3.299   1.220
   64    HA   LYS   7           HA       LYS   7   5.852  -3.350   4.037
   65    HB2  LYS   7           HB2      LYS   7   7.727  -5.142   2.780
   66    HB3  LYS   7           HB3      LYS   7   8.591  -3.893   3.667
   67    HG2  LYS   7           HG2      LYS   7   6.424  -5.635   4.822
   68    HG3  LYS   7           HG3      LYS   7   8.157  -5.914   5.006
   69    HD2  LYS   7           HD2      LYS   7   6.890  -3.314   5.812
   70    HD3  LYS   7           HD3      LYS   7   6.920  -4.702   6.903
   71    HE2  LYS   7           HE2      LYS   7   9.456  -3.853   5.591
   72    HE3  LYS   7           HE3      LYS   7   8.835  -2.890   6.931
   73    HZ1  LYS   7           HZ1      LYS   7   9.441  -4.435   8.393
   74    HZ2  LYS   7           HZ2      LYS   7  10.359  -5.128   7.154
   75    HZ3  LYS   7           HZ3      LYS   7   8.801  -5.703   7.474
   76    H    VAL   8           H        VAL   8   8.053  -2.108   4.799
   77    HA   VAL   8           HA       VAL   8   7.807   0.499   3.936
   78    HB   VAL   8           HB       VAL   8   8.939  -0.064   6.013
   79   HG11  VAL   8          1HG1      VAL   8  10.121  -2.074   4.957
   80   HG12  VAL   8          2HG1      VAL   8  11.352  -0.918   4.446
   81   HG13  VAL   8          3HG1      VAL   8  11.010  -1.142   6.162
   82   HG21  VAL   8          3HG2      VAL   8   9.414   2.111   5.118
   83   HG22  VAL   8          1HG2      VAL   8  10.904   1.453   5.796
   84   HG23  VAL   8          2HG2      VAL   8  10.654   1.452   4.050
   85    HA   PRO   9           HA       PRO   9   9.734   0.516  -0.046
   86    HB2  PRO   9           HB2      PRO   9   9.932   3.209  -0.325
   87    HB3  PRO   9           HB3      PRO   9   8.405   2.335  -0.500
   88    HG2  PRO   9           HG2      PRO   9   9.459   3.856   1.854
   89    HG3  PRO   9           HG3      PRO   9   7.822   3.841   1.174
   90    HD2  PRO   9           HD2      PRO   9   8.499   2.412   3.372
   91    HD3  PRO   9           HD3      PRO   9   7.272   1.859   2.214
   92    H    GLN  10           H        GLN  10  11.802  -0.094  -0.207
   93    HA   GLN  10           HA       GLN  10  13.877   1.783   0.649
   94    HB2  GLN  10           HB2      GLN  10  15.166   0.139   1.775
   95    HB3  GLN  10           HB3      GLN  10  13.532   0.001   2.410
   96    HG2  GLN  10           HG2      GLN  10  13.172  -1.875   0.775
   97    HG3  GLN  10           HG3      GLN  10  14.903  -1.810   0.445
   98   HE21  GLN  10          1HE2      GLN  10  16.336  -2.059   2.330
   99   HE22  GLN  10          2HE2      GLN  10  15.854  -3.145   3.584
  100    H    VAL  11           H        VAL  11  16.106   0.377  -0.012
  101    HA   VAL  11           HA       VAL  11  15.974   0.410  -2.892
  102    HB   VAL  11           HB       VAL  11  18.424  -0.079  -2.758
  103   HG11  VAL  11          1HG1      VAL  11  18.241   2.188  -0.946
  104   HG12  VAL  11          2HG1      VAL  11  18.776   2.122  -2.627
  105   HG13  VAL  11          3HG1      VAL  11  17.058   2.262  -2.252
  106   HG21  VAL  11          3HG2      VAL  11  19.513  -0.527  -0.824
  107   HG22  VAL  11          1HG2      VAL  11  18.437   0.483   0.142
  108   HG23  VAL  11          2HG2      VAL  11  17.929  -1.135  -0.342
  109    H    SER  12           H        SER  12  14.347  -1.547  -2.401
  110    HA   SER  12           HA       SER  12  15.500  -3.815  -3.603
  111    HB2  SER  12           HB2      SER  12  15.415  -3.784  -0.643
  112    HB3  SER  12           HB3      SER  12  14.823  -5.254  -1.415
  113    HG   SER  12           HG       SER  12  16.797  -5.499  -2.420
  114    H    THR  13           H        THR  13  13.903  -4.657  -4.752
  115    HA   THR  13           HA       THR  13  11.254  -4.971  -3.578
  116    HB   THR  13           HB       THR  13  10.386  -4.089  -5.930
  117    HG1  THR  13           HG1      THR  13  11.705  -2.132  -6.368
  118   HG21  THR  13          3HG2      THR  13  10.520  -3.067  -3.304
  119   HG22  THR  13          1HG2      THR  13   9.379  -2.635  -4.576
  120   HG23  THR  13          2HG2      THR  13  10.878  -1.726  -4.390
  121    HA   PRO  14           HA       PRO  14  11.137  -8.702  -5.887
  122    HB2  PRO  14           HB2      PRO  14   8.507  -8.895  -6.535
  123    HB3  PRO  14           HB3      PRO  14   9.112  -9.138  -4.892
  124    HG2  PRO  14           HG2      PRO  14   7.845  -6.712  -6.105
  125    HG3  PRO  14           HG3      PRO  14   7.572  -7.438  -4.510
  126    HD2  PRO  14           HD2      PRO  14   9.148  -5.265  -4.871
  127    HD3  PRO  14           HD3      PRO  14   9.461  -6.473  -3.608
  128    H    THR  15           H        THR  15  11.730  -9.204  -7.897
  129    HA   THR  15           HA       THR  15  11.219  -7.336 -10.056
  130    HB   THR  15           HB       THR  15  12.661  -8.977 -11.377
  131    HG1  THR  15           HG1      THR  15  13.764 -10.517 -10.187
  132   HG21  THR  15          3HG2      THR  15  14.731  -8.172 -10.365
  133   HG22  THR  15          1HG2      THR  15  13.856  -7.721  -8.903
  134   HG23  THR  15          2HG2      THR  15  13.527  -6.885 -10.421
  135    H    LEU  16           H        LEU  16   9.003  -7.608 -10.446
  136    HA   LEU  16           HA       LEU  16   7.824 -10.150 -10.948
  137    HB2  LEU  16           HB2      LEU  16   6.672  -7.992 -10.236
  138    HB3  LEU  16           HB3      LEU  16   6.780  -7.508 -11.927
  139    HG   LEU  16           HG       LEU  16   5.463 -10.093 -11.204
  140   HD11  LEU  16          1HD1      LEU  16   3.395  -8.300 -11.448
  141   HD12  LEU  16          2HD1      LEU  16   4.556  -7.434 -10.443
  142   HD13  LEU  16          3HD1      LEU  16   3.969  -9.020  -9.944
  143   HD21  LEU  16          3HD2      LEU  16   5.467  -8.169 -13.482
  144   HD22  LEU  16          1HD2      LEU  16   4.043  -9.171 -13.202
  145   HD23  LEU  16          2HD2      LEU  16   5.610  -9.928 -13.490
  Start of MODEL   11
    1    H1   LEU   1           H        LEU   1   0.909   3.721  -0.464
    2    HA   LEU   1           HA       LEU   1   3.071   2.929  -2.092
    3    HB2  LEU   1           HB2      LEU   1   2.972   3.699   0.399
    4    HB3  LEU   1           HB3      LEU   1   2.774   1.979   0.724
    5    HG   LEU   1           HG       LEU   1   5.098   2.706   0.986
    6   HD11  LEU   1          1HD1      LEU   1   4.597   0.409   0.288
    7   HD12  LEU   1          2HD1      LEU   1   6.129   0.981  -0.373
    8   HD13  LEU   1          3HD1      LEU   1   4.698   0.907  -1.401
    9   HD21  LEU   1          3HD2      LEU   1   5.035   3.290  -1.971
   10   HD22  LEU   1          1HD2      LEU   1   6.405   3.471  -0.875
   11   HD23  LEU   1          2HD2      LEU   1   4.998   4.522  -0.709
   12    H    VAL   2           H        VAL   2   1.768   1.446  -3.483
   13    HA   VAL   2           HA       VAL   2   1.743  -1.270  -2.336
   14    HB   VAL   2           HB       VAL   2  -0.061  -0.210  -4.516
   15   HG11  VAL   2          1HG1      VAL   2   0.115  -2.912  -3.191
   16   HG12  VAL   2          2HG1      VAL   2  -1.215  -2.397  -4.231
   17   HG13  VAL   2          3HG1      VAL   2   0.417  -2.532  -4.887
   18   HG21  VAL   2          3HG2      VAL   2  -1.859  -0.583  -2.832
   19   HG22  VAL   2          1HG2      VAL   2  -0.605  -0.869  -1.625
   20   HG23  VAL   2          2HG2      VAL   2  -0.736   0.708  -2.405
   21    H    ARG   3           H        ARG   3   2.474   0.754  -5.107
   22    HA   ARG   3           HA       ARG   3   3.175  -1.131  -6.999
   23    HB2  ARG   3           HB2      ARG   3   4.551   1.507  -6.457
   24    HB3  ARG   3           HB3      ARG   3   4.663   0.581  -7.948
   25    HG2  ARG   3           HG2      ARG   3   2.289   0.898  -8.349
   26    HG3  ARG   3           HG3      ARG   3   2.138   1.778  -6.827
   27    HD2  ARG   3           HD2      ARG   3   3.484   3.561  -7.626
   28    HD3  ARG   3           HD3      ARG   3   3.990   2.635  -9.037
   29    HE   ARG   3           HE       ARG   3   1.244   2.841  -9.201
   30   HH11  ARG   3          1HH1      ARG   3   3.961   5.016  -9.119
   31   HH12  ARG   3          2HH1      ARG   3   3.180   6.235 -10.071
   32   HH21  ARG   3          1HH2      ARG   3   0.205   4.438 -10.455
   33   HH22  ARG   3          2HH2      ARG   3   1.043   5.905 -10.830
   34    H    TYR   4           H        TYR   4   4.896  -0.134  -4.134
   35    HA   TYR   4           HA       TYR   4   7.244  -1.698  -4.911
   36    HB2  TYR   4           HB2      TYR   4   6.911  -0.069  -2.394
   37    HB3  TYR   4           HB3      TYR   4   8.409  -0.624  -3.133
   38    HD1  TYR   4           HD2      TYR   4   7.960   0.134  -5.958
   39    HD2  TYR   4           HD1      TYR   4   7.113   2.256  -2.369
   40    HE1  TYR   4           HE2      TYR   4   8.150   2.262  -7.177
   41    HE2  TYR   4           HE1      TYR   4   7.299   4.389  -3.578
   42    HH   TYR   4           HH       TYR   4   7.015   5.131  -6.055
   43    H    THR   5           H        THR   5   8.211  -2.553  -2.530
   44    HA   THR   5           HA       THR   5   6.953  -4.973  -2.097
   45    HB   THR   5           HB       THR   5   8.280  -5.192  -0.058
   46    HG1  THR   5           HG1      THR   5   8.909  -2.435  -0.440
   47   HG21  THR   5          3HG2      THR   5  10.510  -4.160  -1.204
   48   HG22  THR   5          1HG2      THR   5   9.424  -4.217  -2.591
   49   HG23  THR   5          2HG2      THR   5   9.771  -5.687  -1.682
   50    H    LYS   6           H        LYS   6   5.692  -5.803  -0.374
   51    HA   LYS   6           HA       LYS   6   3.431  -4.370   0.298
   52    HB2  LYS   6           HB2      LYS   6   4.703  -6.688   1.763
   53    HB3  LYS   6           HB3      LYS   6   3.073  -6.099   2.066
   54    HG2  LYS   6           HG2      LYS   6   4.023  -7.116  -0.602
   55    HG3  LYS   6           HG3      LYS   6   3.195  -8.107   0.602
   56    HD2  LYS   6           HD2      LYS   6   2.069  -5.582  -0.606
   57    HD3  LYS   6           HD3      LYS   6   1.690  -7.214  -1.164
   58    HE2  LYS   6           HE2      LYS   6   1.129  -6.053   1.563
   59    HE3  LYS   6           HE3      LYS   6  -0.055  -6.438   0.314
   60    HZ1  LYS   6           HZ1      LYS   6  -0.207  -8.301   1.575
   61    HZ2  LYS   6           HZ2      LYS   6   1.394  -8.225   2.116
   62    HZ3  LYS   6           HZ3      LYS   6   1.054  -8.798   0.561
   63    H    LYS   7           H        LYS   7   6.533  -4.457   1.882
   64    HA   LYS   7           HA       LYS   7   5.491  -2.795   4.071
   65    HB2  LYS   7           HB2      LYS   7   7.174  -4.979   4.140
   66    HB3  LYS   7           HB3      LYS   7   8.293  -3.626   4.248
   67    HG2  LYS   7           HG2      LYS   7   7.774  -4.204   6.462
   68    HG3  LYS   7           HG3      LYS   7   6.837  -2.747   6.122
   69    HD2  LYS   7           HD2      LYS   7   5.371  -4.224   7.248
   70    HD3  LYS   7           HD3      LYS   7   4.908  -4.279   5.545
   71    HE2  LYS   7           HE2      LYS   7   5.695  -6.411   5.260
   72    HE3  LYS   7           HE3      LYS   7   6.906  -6.251   6.531
   73    HZ1  LYS   7           HZ1      LYS   7   5.166  -7.746   7.220
   74    HZ2  LYS   7           HZ2      LYS   7   3.981  -6.575   6.930
   75    HZ3  LYS   7           HZ3      LYS   7   5.109  -6.347   8.170
   76    H    VAL   8           H        VAL   8   7.771  -1.502   4.858
   77    HA   VAL   8           HA       VAL   8   7.821   0.792   3.342
   78    HB   VAL   8           HB       VAL   8  10.102  -0.276   5.011
   79   HG11  VAL   8          1HG1      VAL   8  10.717   1.582   3.503
   80   HG12  VAL   8          2HG1      VAL   8   9.449   2.565   4.239
   81   HG13  VAL   8          3HG1      VAL   8  10.819   2.021   5.208
   82   HG21  VAL   8          3HG2      VAL   8   8.798   1.656   6.473
   83   HG22  VAL   8          1HG2      VAL   8   7.478   0.780   5.699
   84   HG23  VAL   8          2HG2      VAL   8   8.646  -0.087   6.696
   85    HA   PRO   9           HA       PRO   9  10.073  -0.320  -0.299
   86    HB2  PRO   9           HB2      PRO   9  10.508   2.196  -1.221
   87    HB3  PRO   9           HB3      PRO   9   8.937   1.393  -1.326
   88    HG2  PRO   9           HG2      PRO   9   9.906   3.406   0.667
   89    HG3  PRO   9           HG3      PRO   9   8.336   3.308  -0.151
   90    HD2  PRO   9           HD2      PRO   9   8.709   2.455   2.391
   91    HD3  PRO   9           HD3      PRO   9   7.544   1.693   1.290
   92    H    GLN  10           H        GLN  10  12.167  -0.724  -0.703
   93    HA   GLN  10           HA       GLN  10  14.211   1.011   0.486
   94    HB2  GLN  10           HB2      GLN  10  14.399  -1.999   0.563
   95    HB3  GLN  10           HB3      GLN  10  15.469  -0.836   1.335
   96    HG2  GLN  10           HG2      GLN  10  13.607  -0.137   2.792
   97    HG3  GLN  10           HG3      GLN  10  12.600  -1.383   2.057
   98   HE21  GLN  10          1HE2      GLN  10  14.836  -0.663   4.473
   99   HE22  GLN  10          2HE2      GLN  10  15.113  -2.270   5.044
  100    H    VAL  11           H        VAL  11  16.463  -0.288  -0.307
  101    HA   VAL  11           HA       VAL  11  16.645   0.400  -3.037
  102    HB   VAL  11           HB       VAL  11  18.563  -1.317  -1.458
  103   HG11  VAL  11          1HG1      VAL  11  19.219  -1.511  -3.674
  104   HG12  VAL  11          2HG1      VAL  11  18.735   0.140  -4.067
  105   HG13  VAL  11          3HG1      VAL  11  20.184  -0.150  -3.102
  106   HG21  VAL  11          3HG2      VAL  11  19.572   1.271  -1.642
  107   HG22  VAL  11          1HG2      VAL  11  17.874   1.476  -1.212
  108   HG23  VAL  11          2HG2      VAL  11  18.926   0.485  -0.202
  109    H    SER  12           H        SER  12  15.805  -2.534  -1.421
  110    HA   SER  12           HA       SER  12  15.999  -4.028  -3.949
  111    HB2  SER  12           HB2      SER  12  16.234  -6.009  -2.728
  112    HB3  SER  12           HB3      SER  12  17.138  -4.845  -1.758
  113    HG   SER  12           HG       SER  12  14.758  -6.151  -1.210
  114    H    THR  13           H        THR  13  14.203  -4.634  -4.972
  115    HA   THR  13           HA       THR  13  11.702  -4.955  -3.524
  116    HB   THR  13           HB       THR  13  10.620  -3.532  -5.474
  117    HG1  THR  13           HG1      THR  13  13.303  -2.673  -5.338
  118   HG21  THR  13          3HG2      THR  13   9.991  -2.364  -3.686
  119   HG22  THR  13          1HG2      THR  13  11.552  -1.545  -3.671
  120   HG23  THR  13          2HG2      THR  13  11.332  -3.040  -2.762
  121    HA   PRO  14           HA       PRO  14  10.922  -8.092  -6.492
  122    HB2  PRO  14           HB2      PRO  14   8.224  -7.961  -6.768
  123    HB3  PRO  14           HB3      PRO  14   9.012  -8.590  -5.316
  124    HG2  PRO  14           HG2      PRO  14   7.842  -5.879  -5.813
  125    HG3  PRO  14           HG3      PRO  14   7.710  -6.909  -4.375
  126    HD2  PRO  14           HD2      PRO  14   9.431  -4.823  -4.521
  127    HD3  PRO  14           HD3      PRO  14   9.787  -6.291  -3.588
  128    H    THR  15           H        THR  15  11.543  -7.903  -8.550
  129    HA   THR  15           HA       THR  15  10.325  -5.825 -10.230
  130    HB   THR  15           HB       THR  15  12.774  -5.793 -10.137
  131    HG1  THR  15           HG1      THR  15  13.091  -5.906 -12.439
  132   HG21  THR  15          3HG2      THR  15  12.459  -8.631 -10.403
  133   HG22  THR  15          1HG2      THR  15  13.913  -7.705 -10.031
  134   HG23  THR  15          2HG2      THR  15  13.475  -8.023 -11.709
  135    H    LEU  16           H        LEU  16   8.717  -8.016  -9.699
  136    HA   LEU  16           HA       LEU  16   8.892 -10.096 -11.587
  137    HB2  LEU  16           HB2      LEU  16   6.529 -10.505 -11.064
  138    HB3  LEU  16           HB3      LEU  16   7.520 -10.306  -9.620
  139    HG   LEU  16           HG       LEU  16   6.640  -7.818  -9.791
  140   HD11  LEU  16          1HD1      LEU  16   4.046  -8.664 -10.496
  141   HD12  LEU  16          2HD1      LEU  16   5.124  -9.165 -11.798
  142   HD13  LEU  16          3HD1      LEU  16   5.063  -7.473 -11.307
  143   HD21  LEU  16          3HD2      LEU  16   6.291  -9.154  -7.854
  144   HD22  LEU  16          1HD2      LEU  16   5.144 -10.192  -8.700
  145   HD23  LEU  16          2HD2      LEU  16   4.718  -8.519  -8.339
  Start of MODEL   12
    1    H1   LEU   1           H        LEU   1   1.310   1.255   1.480
    2    HA   LEU   1           HA       LEU   1   1.701   2.199  -1.186
    3    HB2  LEU   1           HB2      LEU   1   3.330   1.157   0.988
    4    HB3  LEU   1           HB3      LEU   1   3.877   0.608  -0.594
    5    HG   LEU   1           HG       LEU   1   3.361   3.513  -0.241
    6   HD11  LEU   1          1HD1      LEU   1   5.275   1.985   1.349
    7   HD12  LEU   1          2HD1      LEU   1   4.682   3.632   1.557
    8   HD13  LEU   1          3HD1      LEU   1   6.000   3.306   0.433
    9   HD21  LEU   1          3HD2      LEU   1   4.096   2.329  -2.375
   10   HD22  LEU   1          1HD2      LEU   1   5.657   2.117  -1.583
   11   HD23  LEU   1          2HD2      LEU   1   5.030   3.740  -1.875
   12    H    VAL   2           H        VAL   2   0.674   1.122  -2.772
   13    HA   VAL   2           HA       VAL   2   1.250  -1.753  -3.032
   14    HB   VAL   2           HB       VAL   2  -1.007  -1.996  -4.120
   15   HG11  VAL   2          1HG1      VAL   2  -1.966  -1.336  -1.542
   16   HG12  VAL   2          2HG1      VAL   2  -1.498  -2.920  -2.162
   17   HG13  VAL   2          3HG1      VAL   2  -0.304  -1.897  -1.361
   18   HG21  VAL   2          3HG2      VAL   2  -2.029   0.356  -2.672
   19   HG22  VAL   2          1HG2      VAL   2  -1.081   0.703  -4.118
   20   HG23  VAL   2          2HG2      VAL   2  -2.513  -0.320  -4.227
   21    H    ARG   3           H        ARG   3   2.504   0.654  -4.199
   22    HA   ARG   3           HA       ARG   3   1.886   0.195  -7.042
   23    HB2  ARG   3           HB2      ARG   3   3.245   2.580  -5.774
   24    HB3  ARG   3           HB3      ARG   3   2.859   2.397  -7.479
   25    HG2  ARG   3           HG2      ARG   3   0.521   2.502  -7.041
   26    HG3  ARG   3           HG3      ARG   3   0.789   2.413  -5.299
   27    HD2  ARG   3           HD2      ARG   3   2.220   4.571  -5.733
   28    HD3  ARG   3           HD3      ARG   3   1.217   4.688  -7.178
   29    HE   ARG   3           HE       ARG   3  -0.498   5.382  -5.851
   30   HH11  ARG   3          1HH1      ARG   3   1.795   3.657  -3.879
   31   HH12  ARG   3          2HH1      ARG   3   0.964   3.987  -2.395
   32   HH21  ARG   3          1HH2      ARG   3  -1.600   5.824  -3.903
   33   HH22  ARG   3          2HH2      ARG   3  -0.967   5.219  -2.410
   34    H    TYR   4           H        TYR   4   4.575   0.814  -4.798
   35    HA   TYR   4           HA       TYR   4   6.513  -0.094  -6.751
   36    HB2  TYR   4           HB2      TYR   4   7.037   0.568  -3.855
   37    HB3  TYR   4           HB3      TYR   4   8.184   0.574  -5.190
   38    HD1  TYR   4           HD2      TYR   4   6.746   2.087  -7.246
   39    HD2  TYR   4           HD1      TYR   4   6.989   2.748  -3.050
   40    HE1  TYR   4           HE2      TYR   4   6.320   4.483  -7.604
   41    HE2  TYR   4           HE1      TYR   4   6.563   5.145  -3.397
   42    HH   TYR   4           HH       TYR   4   5.952   6.452  -6.640
   43    H    THR   5           H        THR   5   5.905  -1.017  -3.359
   44    HA   THR   5           HA       THR   5   5.900  -3.826  -4.066
   45    HB   THR   5           HB       THR   5   8.320  -3.286  -3.821
   46    HG1  THR   5           HG1      THR   5   8.638  -4.979  -2.147
   47   HG21  THR   5          3HG2      THR   5   7.433  -1.813  -1.604
   48   HG22  THR   5          1HG2      THR   5   9.098  -2.069  -2.123
   49   HG23  THR   5          2HG2      THR   5   8.364  -3.159  -0.947
   50    H    LYS   6           H        LYS   6   5.736  -5.179  -1.968
   51    HA   LYS   6           HA       LYS   6   3.469  -4.270  -0.539
   52    HB2  LYS   6           HB2      LYS   6   5.230  -6.662  -0.466
   53    HB3  LYS   6           HB3      LYS   6   4.273  -6.333   0.973
   54    HG2  LYS   6           HG2      LYS   6   2.897  -7.735  -0.229
   55    HG3  LYS   6           HG3      LYS   6   2.294  -6.139  -0.684
   56    HD2  LYS   6           HD2      LYS   6   4.455  -7.289  -2.353
   57    HD3  LYS   6           HD3      LYS   6   2.862  -8.039  -2.476
   58    HE2  LYS   6           HE2      LYS   6   3.065  -5.070  -2.601
   59    HE3  LYS   6           HE3      LYS   6   3.544  -6.011  -4.013
   60    HZ1  LYS   6           HZ1      LYS   6   0.983  -6.653  -2.760
   61    HZ2  LYS   6           HZ2      LYS   6   1.429  -6.698  -4.391
   62    HZ3  LYS   6           HZ3      LYS   6   1.076  -5.218  -3.652
   63    H    LYS   7           H        LYS   7   6.818  -4.863   0.529
   64    HA   LYS   7           HA       LYS   7   6.329  -3.562   3.061
   65    HB2  LYS   7           HB2      LYS   7   8.840  -4.692   1.815
   66    HB3  LYS   7           HB3      LYS   7   8.774  -3.992   3.427
   67    HG2  LYS   7           HG2      LYS   7   6.934  -6.225   2.686
   68    HG3  LYS   7           HG3      LYS   7   8.608  -6.557   3.137
   69    HD2  LYS   7           HD2      LYS   7   6.792  -4.880   4.849
   70    HD3  LYS   7           HD3      LYS   7   6.858  -6.638   4.994
   71    HE2  LYS   7           HE2      LYS   7   9.410  -6.287   5.208
   72    HE3  LYS   7           HE3      LYS   7   8.992  -4.611   5.560
   73    HZ1  LYS   7           HZ1      LYS   7   7.965  -6.968   7.047
   74    HZ2  LYS   7           HZ2      LYS   7   7.655  -5.346   7.409
   75    HZ3  LYS   7           HZ3      LYS   7   9.221  -5.963   7.571
   76    H    VAL   8           H        VAL   8   8.425  -2.077   3.669
   77    HA   VAL   8           HA       VAL   8   7.953   0.403   2.534
   78    HB   VAL   8           HB       VAL   8   9.074   0.168   4.679
   79   HG11  VAL   8          1HG1      VAL   8  10.804  -1.187   5.002
   80   HG12  VAL   8          2HG1      VAL   8  10.707  -1.653   3.302
   81   HG13  VAL   8          3HG1      VAL   8  11.759  -0.325   3.795
   82   HG21  VAL   8          3HG2      VAL   8  10.905   1.822   4.331
   83   HG22  VAL   8          1HG2      VAL   8  10.704   1.608   2.592
   84   HG23  VAL   8          2HG2      VAL   8   9.383   2.267   3.558
   85    HA   PRO   9           HA       PRO   9   9.973   0.161  -1.394
   86    HB2  PRO   9           HB2      PRO   9   9.946   2.816  -1.963
   87    HB3  PRO   9           HB3      PRO   9   8.505   1.796  -2.066
   88    HG2  PRO   9           HG2      PRO   9   9.362   3.649   0.124
   89    HG3  PRO   9           HG3      PRO   9   7.750   3.416  -0.577
   90    HD2  PRO   9           HD2      PRO   9   8.491   2.297   1.775
   91    HD3  PRO   9           HD3      PRO   9   7.347   1.516   0.665
   92    H    GLN  10           H        GLN  10  12.013  -0.510  -0.417
   93    HA   GLN  10           HA       GLN  10  13.980   1.675  -0.441
   94    HB2  GLN  10           HB2      GLN  10  13.378   0.729   1.887
   95    HB3  GLN  10           HB3      GLN  10  14.274  -0.697   1.382
   96    HG2  GLN  10           HG2      GLN  10  16.276   0.609   1.089
   97    HG3  GLN  10           HG3      GLN  10  15.397   2.093   1.450
   98   HE21  GLN  10          1HE2      GLN  10  14.407   2.224   3.608
   99   HE22  GLN  10          2HE2      GLN  10  15.244   1.508   4.938
  100    H    VAL  11           H        VAL  11  14.015  -1.882  -0.165
  101    HA   VAL  11           HA       VAL  11  15.666  -1.974  -2.599
  102    HB   VAL  11           HB       VAL  11  16.157  -3.608  -0.106
  103   HG11  VAL  11          1HG1      VAL  11  17.086  -3.819  -2.884
  104   HG12  VAL  11          2HG1      VAL  11  18.356  -3.910  -1.662
  105   HG13  VAL  11          3HG1      VAL  11  17.003  -5.042  -1.618
  106   HG21  VAL  11          3HG2      VAL  11  17.135  -1.667   0.533
  107   HG22  VAL  11          1HG2      VAL  11  18.443  -2.261  -0.490
  108   HG23  VAL  11          2HG2      VAL  11  17.298  -1.077  -1.120
  109    H    SER  12           H        SER  12  13.727  -3.882  -0.311
  110    HA   SER  12           HA       SER  12  13.361  -6.099  -2.023
  111    HB2  SER  12           HB2      SER  12  11.584  -5.167   0.245
  112    HB3  SER  12           HB3      SER  12  11.606  -6.782  -0.464
  113    HG   SER  12           HG       SER  12  13.137  -7.218   0.890
  114    H    THR  13           H        THR  13  12.249  -6.198  -3.845
  115    HA   THR  13           HA       THR  13   9.701  -4.790  -4.070
  116    HB   THR  13           HB       THR  13  10.549  -4.271  -6.547
  117    HG1  THR  13           HG1      THR  13  12.754  -3.524  -6.375
  118   HG21  THR  13          3HG2      THR  13  10.321  -2.776  -4.087
  119   HG22  THR  13          1HG2      THR  13   9.928  -2.287  -5.735
  120   HG23  THR  13          2HG2      THR  13  11.571  -2.092  -5.125
  121    HA   PRO  14           HA       PRO  14   8.359  -8.380  -6.207
  122    HB2  PRO  14           HB2      PRO  14   6.635  -7.351  -8.035
  123    HB3  PRO  14           HB3      PRO  14   6.273  -7.421  -6.306
  124    HG2  PRO  14           HG2      PRO  14   7.266  -5.119  -7.942
  125    HG3  PRO  14           HG3      PRO  14   6.018  -5.140  -6.682
  126    HD2  PRO  14           HD2      PRO  14   8.545  -4.286  -6.216
  127    HD3  PRO  14           HD3      PRO  14   7.565  -5.091  -4.974
  128    H    THR  15           H        THR  15   8.871  -9.655  -7.932
  129    HA   THR  15           HA       THR  15  10.097 -10.353  -9.726
  130    HB   THR  15           HB       THR  15   9.554  -9.385 -11.814
  131    HG1  THR  15           HG1      THR  15   9.122  -7.271 -12.091
  132   HG21  THR  15          3HG2      THR  15   7.154  -9.091 -11.716
  133   HG22  THR  15          1HG2      THR  15   7.234  -8.739  -9.991
  134   HG23  THR  15          2HG2      THR  15   7.632 -10.352 -10.581
  135    H    LEU  16           H        LEU  16  11.613  -8.937  -7.823
  136    HA   LEU  16           HA       LEU  16  13.205  -6.879  -8.781
  137    HB2  LEU  16           HB2      LEU  16  14.783  -7.465  -7.089
  138    HB3  LEU  16           HB3      LEU  16  13.161  -7.724  -6.451
  139    HG   LEU  16           HG       LEU  16  14.658 -10.035  -7.605
  140   HD11  LEU  16          1HD1      LEU  16  15.088  -8.885  -4.852
  141   HD12  LEU  16          2HD1      LEU  16  16.287  -9.019  -6.138
  142   HD13  LEU  16          3HD1      LEU  16  15.633 -10.475  -5.386
  143   HD21  LEU  16          3HD2      LEU  16  12.442 -10.539  -7.019
  144   HD22  LEU  16          1HD2      LEU  16  12.536  -9.613  -5.521
  145   HD23  LEU  16          2HD2      LEU  16  13.413 -11.135  -5.672
  Start of MODEL   13
    1    H1   LEU   1           H        LEU   1   2.145   0.264   1.442
    2    HA   LEU   1           HA       LEU   1   0.507   1.687  -0.468
    3    HB2  LEU   1           HB2      LEU   1   2.474   2.401  -1.816
    4    HB3  LEU   1           HB3      LEU   1   2.271   3.271  -0.296
    5    HG   LEU   1           HG       LEU   1   4.009   1.490   0.571
    6   HD11  LEU   1          1HD1      LEU   1   4.307   0.099  -1.267
    7   HD12  LEU   1          2HD1      LEU   1   5.699   1.178  -1.341
    8   HD13  LEU   1          3HD1      LEU   1   4.321   1.445  -2.408
    9   HD21  LEU   1          3HD2      LEU   1   5.822   3.070  -0.069
   10   HD22  LEU   1          1HD2      LEU   1   4.408   3.853   0.636
   11   HD23  LEU   1          2HD2      LEU   1   4.667   3.906  -1.108
   12    H    VAL   2           H        VAL   2   0.591   0.766  -2.597
   13    HA   VAL   2           HA       VAL   2   1.792  -1.927  -2.660
   14    HB   VAL   2           HB       VAL   2  -0.114  -2.608  -4.119
   15   HG11  VAL   2          1HG1      VAL   2  -1.839  -2.396  -2.121
   16   HG12  VAL   2          2HG1      VAL   2  -0.425  -3.447  -2.020
   17   HG13  VAL   2          3HG1      VAL   2  -0.398  -1.855  -1.260
   18   HG21  VAL   2          3HG2      VAL   2  -1.861  -1.252  -4.639
   19   HG22  VAL   2          1HG2      VAL   2  -1.740  -0.337  -3.136
   20   HG23  VAL   2          2HG2      VAL   2  -0.622  -0.009  -4.460
   21    H    ARG   3           H        ARG   3   2.972   0.522  -3.625
   22    HA   ARG   3           HA       ARG   3   2.755   0.314  -6.532
   23    HB2  ARG   3           HB2      ARG   3   3.849   2.339  -4.634
   24    HB3  ARG   3           HB3      ARG   3   4.533   2.265  -6.252
   25    HG2  ARG   3           HG2      ARG   3   1.576   2.462  -5.811
   26    HG3  ARG   3           HG3      ARG   3   2.611   3.891  -5.835
   27    HD2  ARG   3           HD2      ARG   3   3.385   3.297  -8.075
   28    HD3  ARG   3           HD3      ARG   3   2.369   1.856  -8.048
   29    HE   ARG   3           HE       ARG   3   1.538   4.544  -8.586
   30   HH11  ARG   3          1HH1      ARG   3   0.516   1.445  -7.374
   31   HH12  ARG   3          2HH1      ARG   3  -1.156   1.704  -7.748
   32   HH21  ARG   3          1HH2      ARG   3  -0.659   4.898  -9.083
   33   HH22  ARG   3          2HH2      ARG   3  -1.823   3.668  -8.721
   34    H    TYR   4           H        TYR   4   5.178   0.053  -3.956
   35    HA   TYR   4           HA       TYR   4   7.036  -1.154  -5.887
   36    HB2  TYR   4           HB2      TYR   4   7.695  -0.211  -3.097
   37    HB3  TYR   4           HB3      TYR   4   8.817  -0.589  -4.399
   38    HD1  TYR   4           HD2      TYR   4   8.769   0.906  -6.476
   39    HD2  TYR   4           HD1      TYR   4   6.912   1.975  -2.800
   40    HE1  TYR   4           HE2      TYR   4   8.765   3.265  -7.171
   41    HE2  TYR   4           HE1      TYR   4   6.902   4.337  -3.485
   42    HH   TYR   4           HH       TYR   4   7.026   5.687  -5.441
   43    H    THR   5           H        THR   5   6.417  -1.530  -2.396
   44    HA   THR   5           HA       THR   5   5.985  -4.387  -2.765
   45    HB   THR   5           HB       THR   5   8.444  -4.118  -2.439
   46    HG1  THR   5           HG1      THR   5   7.102  -5.384  -0.263
   47   HG21  THR   5          3HG2      THR   5   7.719  -2.231  -0.555
   48   HG22  THR   5          1HG2      THR   5   9.333  -2.900  -0.783
   49   HG23  THR   5          2HG2      THR   5   8.250  -3.600   0.420
   50    H    LYS   6           H        LYS   6   5.084  -5.431  -0.895
   51    HA   LYS   6           HA       LYS   6   3.074  -4.029   0.377
   52    HB2  LYS   6           HB2      LYS   6   4.473  -6.507   1.400
   53    HB3  LYS   6           HB3      LYS   6   2.880  -5.946   1.892
   54    HG2  LYS   6           HG2      LYS   6   3.574  -6.697  -0.936
   55    HG3  LYS   6           HG3      LYS   6   2.892  -7.823   0.239
   56    HD2  LYS   6           HD2      LYS   6   1.607  -5.220  -0.582
   57    HD3  LYS   6           HD3      LYS   6   1.197  -6.796  -1.263
   58    HE2  LYS   6           HE2      LYS   6   0.635  -7.567   1.038
   59    HE3  LYS   6           HE3      LYS   6   0.898  -5.919   1.607
   60    HZ1  LYS   6           HZ1      LYS   6  -1.369  -6.005   1.255
   61    HZ2  LYS   6           HZ2      LYS   6  -1.239  -6.951  -0.141
   62    HZ3  LYS   6           HZ3      LYS   6  -0.818  -5.314  -0.187
   63    H    LYS   7           H        LYS   7   6.381  -4.615   1.435
   64    HA   LYS   7           HA       LYS   7   5.898  -3.196   3.940
   65    HB2  LYS   7           HB2      LYS   7   7.522  -5.329   3.292
   66    HB3  LYS   7           HB3      LYS   7   8.656  -3.987   3.359
   67    HG2  LYS   7           HG2      LYS   7   8.740  -4.448   5.543
   68    HG3  LYS   7           HG3      LYS   7   7.208  -3.575   5.621
   69    HD2  LYS   7           HD2      LYS   7   7.426  -6.548   5.168
   70    HD3  LYS   7           HD3      LYS   7   7.206  -5.810   6.757
   71    HE2  LYS   7           HE2      LYS   7   5.104  -4.852   6.067
   72    HE3  LYS   7           HE3      LYS   7   5.344  -5.419   4.416
   73    HZ1  LYS   7           HZ1      LYS   7   5.503  -7.528   6.348
   74    HZ2  LYS   7           HZ2      LYS   7   4.576  -7.427   4.937
   75    HZ3  LYS   7           HZ3      LYS   7   4.004  -6.744   6.375
   76    H    VAL   8           H        VAL   8   8.246  -1.947   4.429
   77    HA   VAL   8           HA       VAL   8   7.995   0.518   3.201
   78    HB   VAL   8           HB       VAL   8   9.211   0.245   5.290
   79   HG11  VAL   8          1HG1      VAL   8  10.284  -1.917   4.689
   80   HG12  VAL   8          2HG1      VAL   8  11.418  -1.024   3.673
   81   HG13  VAL   8          3HG1      VAL   8  11.391  -0.752   5.416
   82   HG21  VAL   8          3HG2      VAL   8  11.192   1.659   4.761
   83   HG22  VAL   8          1HG2      VAL   8  10.864   1.397   3.048
   84   HG23  VAL   8          2HG2      VAL   8   9.688   2.245   4.052
   85    HA   PRO   9           HA       PRO   9   9.732  -0.119  -0.817
   86    HB2  PRO   9           HB2      PRO   9   9.971   2.494  -1.511
   87    HB3  PRO   9           HB3      PRO   9   8.421   1.645  -1.484
   88    HG2  PRO   9           HG2      PRO   9   9.614   3.476   0.563
   89    HG3  PRO   9           HG3      PRO   9   7.947   3.402  -0.036
   90    HD2  PRO   9           HD2      PRO   9   8.698   2.304   2.323
   91    HD3  PRO   9           HD3      PRO   9   7.407   1.615   1.317
   92    H    GLN  10           H        GLN  10  11.778  -0.751  -1.074
   93    HA   GLN  10           HA       GLN  10  13.924   1.150  -0.467
   94    HB2  GLN  10           HB2      GLN  10  13.409  -1.031   1.150
   95    HB3  GLN  10           HB3      GLN  10  14.678  -1.618   0.083
   96    HG2  GLN  10           HG2      GLN  10  16.237  -0.186   0.912
   97    HG3  GLN  10           HG3      GLN  10  15.047   1.045   1.331
   98   HE21  GLN  10          1HE2      GLN  10  14.075   1.000   3.315
   99   HE22  GLN  10          2HE2      GLN  10  14.561  -0.064   4.587
  100    H    VAL  11           H        VAL  11  16.093  -0.311  -1.183
  101    HA   VAL  11           HA       VAL  11  16.087  -0.174  -3.971
  102    HB   VAL  11           HB       VAL  11  17.969  -1.784  -2.240
  103   HG11  VAL  11          1HG1      VAL  11  19.563  -1.310  -4.128
  104   HG12  VAL  11          2HG1      VAL  11  18.255  -2.431  -4.509
  105   HG13  VAL  11          3HG1      VAL  11  18.174  -0.758  -5.063
  106   HG21  VAL  11          3HG2      VAL  11  19.314   0.478  -2.846
  107   HG22  VAL  11          1HG2      VAL  11  17.670   1.106  -2.719
  108   HG23  VAL  11          2HG2      VAL  11  18.394   0.248  -1.358
  109    H    SER  12           H        SER  12  15.215  -2.760  -1.827
  110    HA   SER  12           HA       SER  12  15.172  -4.703  -4.010
  111    HB2  SER  12           HB2      SER  12  14.344  -6.201  -2.015
  112    HB3  SER  12           HB3      SER  12  16.047  -5.761  -2.140
  113    HG   SER  12           HG       SER  12  15.791  -4.279  -0.547
  114    H    THR  13           H        THR  13  13.336  -5.561  -4.859
  115    HA   THR  13           HA       THR  13  10.749  -4.930  -3.686
  116    HB   THR  13           HB       THR  13  10.098  -4.301  -6.216
  117    HG1  THR  13           HG1      THR  13  11.728  -3.017  -7.111
  118   HG21  THR  13          3HG2      THR  13   9.341  -2.632  -4.934
  119   HG22  THR  13          1HG2      THR  13  10.890  -1.839  -5.219
  120   HG23  THR  13          2HG2      THR  13  10.657  -2.827  -3.776
  121    HA   PRO  14           HA       PRO  14   9.569  -8.840  -5.294
  122    HB2  PRO  14           HB2      PRO  14   6.957  -8.441  -5.918
  123    HB3  PRO  14           HB3      PRO  14   7.542  -8.546  -4.253
  124    HG2  PRO  14           HG2      PRO  14   6.906  -6.120  -5.889
  125    HG3  PRO  14           HG3      PRO  14   6.516  -6.459  -4.193
  126    HD2  PRO  14           HD2      PRO  14   8.589  -4.878  -4.923
  127    HD3  PRO  14           HD3      PRO  14   8.626  -5.886  -3.462
  128    H    THR  15           H        THR  15   8.669  -9.975  -7.198
  129    HA   THR  15           HA       THR  15   8.824 -10.429  -9.430
  130    HB   THR  15           HB       THR  15   7.499  -9.100 -10.869
  131    HG1  THR  15           HG1      THR  15   7.859  -7.019 -10.814
  132   HG21  THR  15          3HG2      THR  15   5.479  -8.677  -9.587
  133   HG22  THR  15          1HG2      THR  15   6.405  -8.667  -8.086
  134   HG23  THR  15          2HG2      THR  15   6.251 -10.157  -9.018
  135    H    LEU  16           H        LEU  16  11.229  -9.520  -8.381
  136    HA   LEU  16           HA       LEU  16  12.300  -7.875 -10.578
  137    HB2  LEU  16           HB2      LEU  16  12.373  -7.025  -8.140
  138    HB3  LEU  16           HB3      LEU  16  13.657  -8.214  -7.929
  139    HG   LEU  16           HG       LEU  16  14.771  -7.017  -9.936
  140   HD11  LEU  16          1HD1      LEU  16  14.203  -4.576  -9.957
  141   HD12  LEU  16          2HD1      LEU  16  12.746  -4.975  -9.048
  142   HD13  LEU  16          3HD1      LEU  16  12.982  -5.633 -10.667
  143   HD21  LEU  16          3HD2      LEU  16  14.566  -5.600  -7.282
  144   HD22  LEU  16          1HD2      LEU  16  15.892  -5.494  -8.440
  145   HD23  LEU  16          2HD2      LEU  16  15.575  -7.012  -7.598
  Start of MODEL   14
    1    H1   LEU   1           H        LEU   1   2.512  -0.570   1.660
    2    HA   LEU   1           HA       LEU   1   2.491   1.165  -0.719
    3    HB2  LEU   1           HB2      LEU   1   4.521   0.715   1.080
    4    HB3  LEU   1           HB3      LEU   1   4.918  -0.383  -0.240
    5    HG   LEU   1           HG       LEU   1   6.108   1.638  -0.611
    6   HD11  LEU   1          1HD1      LEU   1   3.685   1.717  -2.399
    7   HD12  LEU   1          2HD1      LEU   1   5.022   0.581  -2.576
    8   HD13  LEU   1          3HD1      LEU   1   5.304   2.311  -2.767
    9   HD21  LEU   1          3HD2      LEU   1   5.389   3.671  -0.042
   10   HD22  LEU   1          1HD2      LEU   1   4.031   2.858   0.735
   11   HD23  LEU   1          2HD2      LEU   1   3.869   3.465  -0.913
   12    H    VAL   2           H        VAL   2   1.845   0.231  -2.533
   13    HA   VAL   2           HA       VAL   2   2.252  -2.673  -2.847
   14    HB   VAL   2           HB       VAL   2  -0.137  -2.023  -2.636
   15   HG11  VAL   2          1HG1      VAL   2  -1.232  -0.743  -4.339
   16   HG12  VAL   2          2HG1      VAL   2   0.125   0.204  -3.726
   17   HG13  VAL   2          3HG1      VAL   2   0.256  -0.626  -5.277
   18   HG21  VAL   2          3HG2      VAL   2  -0.067  -2.882  -5.427
   19   HG22  VAL   2          1HG2      VAL   2   1.020  -3.792  -4.377
   20   HG23  VAL   2          2HG2      VAL   2  -0.701  -3.706  -4.002
   21    H    ARG   3           H        ARG   3   2.982   0.404  -4.035
   22    HA   ARG   3           HA       ARG   3   3.208  -0.076  -6.796
   23    HB2  ARG   3           HB2      ARG   3   4.386   1.901  -4.893
   24    HB3  ARG   3           HB3      ARG   3   5.067   1.782  -6.510
   25    HG2  ARG   3           HG2      ARG   3   3.415   3.524  -6.459
   26    HG3  ARG   3           HG3      ARG   3   2.824   2.189  -7.450
   27    HD2  ARG   3           HD2      ARG   3   1.183   1.638  -5.972
   28    HD3  ARG   3           HD3      ARG   3   2.120   2.161  -4.572
   29    HE   ARG   3           HE       ARG   3   0.265   3.727  -6.089
   30   HH11  ARG   3          1HH1      ARG   3   3.119   3.855  -4.100
   31   HH12  ARG   3          2HH1      ARG   3   2.854   5.491  -3.597
   32   HH21  ARG   3          1HH2      ARG   3  -0.095   5.882  -5.434
   33   HH22  ARG   3          2HH2      ARG   3   1.025   6.643  -4.356
   34    H    TYR   4           H        TYR   4   5.938   0.241  -4.526
   35    HA   TYR   4           HA       TYR   4   7.650  -1.269  -6.276
   36    HB2  TYR   4           HB2      TYR   4   8.284  -0.445  -3.446
   37    HB3  TYR   4           HB3      TYR   4   9.406  -0.744  -4.768
   38    HD1  TYR   4           HD2      TYR   4   9.707   0.920  -6.543
   39    HD2  TYR   4           HD1      TYR   4   7.138   1.665  -3.235
   40    HE1  TYR   4           HE2      TYR   4   9.695   3.316  -7.099
   41    HE2  TYR   4           HE1      TYR   4   7.118   4.063  -3.782
   42    HH   TYR   4           HH       TYR   4   8.189   5.683  -4.996
   43    H    THR   5           H        THR   5   6.960  -1.719  -2.807
   44    HA   THR   5           HA       THR   5   6.531  -4.572  -3.272
   45    HB   THR   5           HB       THR   5   8.959  -4.280  -2.765
   46    HG1  THR   5           HG1      THR   5   7.423  -6.091  -1.968
   47   HG21  THR   5          3HG2      THR   5   9.738  -3.441  -0.740
   48   HG22  THR   5          1HG2      THR   5   8.170  -3.609   0.048
   49   HG23  THR   5          2HG2      THR   5   8.428  -2.331  -1.139
   50    H    LYS   6           H        LYS   6   5.462  -5.651  -1.538
   51    HA   LYS   6           HA       LYS   6   3.381  -4.272  -0.361
   52    HB2  LYS   6           HB2      LYS   6   4.658  -6.919   0.122
   53    HB3  LYS   6           HB3      LYS   6   3.531  -6.324   1.334
   54    HG2  LYS   6           HG2      LYS   6   2.640  -6.202  -1.481
   55    HG3  LYS   6           HG3      LYS   6   2.781  -7.804  -0.752
   56    HD2  LYS   6           HD2      LYS   6   0.550  -7.061  -0.385
   57    HD3  LYS   6           HD3      LYS   6   1.394  -6.944   1.160
   58    HE2  LYS   6           HE2      LYS   6   0.027  -4.969   0.773
   59    HE3  LYS   6           HE3      LYS   6   1.740  -4.549   0.783
   60    HZ1  LYS   6           HZ1      LYS   6   0.148  -5.005  -1.680
   61    HZ2  LYS   6           HZ2      LYS   6   1.739  -4.438  -1.592
   62    HZ3  LYS   6           HZ3      LYS   6   0.467  -3.479  -1.022
   63    H    LYS   7           H        LYS   7   6.644  -4.723   0.777
   64    HA   LYS   7           HA       LYS   7   6.007  -3.596   3.392
   65    HB2  LYS   7           HB2      LYS   7   8.653  -4.548   2.279
   66    HB3  LYS   7           HB3      LYS   7   8.346  -4.077   3.945
   67    HG2  LYS   7           HG2      LYS   7   6.481  -6.100   3.115
   68    HG3  LYS   7           HG3      LYS   7   8.142  -6.627   2.833
   69    HD2  LYS   7           HD2      LYS   7   7.516  -7.298   5.044
   70    HD3  LYS   7           HD3      LYS   7   8.670  -5.969   5.184
   71    HE2  LYS   7           HE2      LYS   7   6.876  -5.626   6.753
   72    HE3  LYS   7           HE3      LYS   7   6.770  -4.410   5.482
   73    HZ1  LYS   7           HZ1      LYS   7   4.852  -5.272   4.689
   74    HZ2  LYS   7           HZ2      LYS   7   4.687  -5.804   6.286
   75    HZ3  LYS   7           HZ3      LYS   7   5.247  -6.866   5.094
   76    H    VAL   8           H        VAL   8   8.063  -2.096   4.100
   77    HA   VAL   8           HA       VAL   8   7.602   0.400   3.023
   78    HB   VAL   8           HB       VAL   8   8.717   0.114   5.165
   79   HG11  VAL   8          1HG1      VAL   8  11.410  -0.325   4.338
   80   HG12  VAL   8          2HG1      VAL   8  10.417  -1.287   5.436
   81   HG13  VAL   8          3HG1      VAL   8  10.400  -1.625   3.705
   82   HG21  VAL   8          3HG2      VAL   8   9.018   2.245   4.106
   83   HG22  VAL   8          1HG2      VAL   8  10.541   1.786   4.869
   84   HG23  VAL   8          2HG2      VAL   8  10.344   1.623   3.124
   85    HA   PRO   9           HA       PRO   9   9.639   0.286  -0.902
   86    HB2  PRO   9           HB2      PRO   9   9.598   2.956  -1.393
   87    HB3  PRO   9           HB3      PRO   9   8.164   1.932  -1.531
   88    HG2  PRO   9           HG2      PRO   9   9.002   3.724   0.715
   89    HG3  PRO   9           HG3      PRO   9   7.394   3.502   0.001
   90    HD2  PRO   9           HD2      PRO   9   8.133   2.320   2.322
   91    HD3  PRO   9           HD3      PRO   9   6.997   1.565   1.185
   92    H    GLN  10           H        GLN  10  11.752  -0.279  -0.653
   93    HA   GLN  10           HA       GLN  10  13.638   1.902  -0.131
   94    HB2  GLN  10           HB2      GLN  10  13.142  -0.176   1.686
   95    HB3  GLN  10           HB3      GLN  10  14.660  -0.595   0.905
   96    HG2  GLN  10           HG2      GLN  10  15.763   1.210   1.761
   97    HG3  GLN  10           HG3      GLN  10  14.300   2.184   1.887
   98   HE21  GLN  10          1HE2      GLN  10  14.110   2.717   3.948
   99   HE22  GLN  10          2HE2      GLN  10  14.192   1.626   5.285
  100    H    VAL  11           H        VAL  11  15.995   0.582  -0.391
  101    HA   VAL  11           HA       VAL  11  16.350   0.365  -3.133
  102    HB   VAL  11           HB       VAL  11  18.518  -0.710  -2.633
  103   HG11  VAL  11          1HG1      VAL  11  19.497   1.170  -1.657
  104   HG12  VAL  11          2HG1      VAL  11  18.010   1.795  -2.374
  105   HG13  VAL  11          3HG1      VAL  11  18.093   1.488  -0.639
  106   HG21  VAL  11          3HG2      VAL  11  19.063  -0.867  -0.122
  107   HG22  VAL  11          1HG2      VAL  11  17.315  -0.924   0.104
  108   HG23  VAL  11          2HG2      VAL  11  18.121  -2.166  -0.854
  109    H    SER  12           H        SER  12  15.492  -2.085  -0.780
  110    HA   SER  12           HA       SER  12  15.817  -4.259  -2.658
  111    HB2  SER  12           HB2      SER  12  14.408  -4.411   0.005
  112    HB3  SER  12           HB3      SER  12  15.226  -5.703  -0.874
  113    HG   SER  12           HG       SER  12  17.112  -5.016  -0.163
  114    H    THR  13           H        THR  13  14.210  -5.391  -3.683
  115    HA   THR  13           HA       THR  13  11.433  -4.956  -3.199
  116    HB   THR  13           HB       THR  13  11.283  -4.165  -5.786
  117    HG1  THR  13           HG1      THR  13  12.846  -2.530  -6.087
  118   HG21  THR  13          3HG2      THR  13  10.830  -3.032  -3.213
  119   HG22  THR  13          1HG2      THR  13  10.043  -2.639  -4.741
  120   HG23  THR  13          2HG2      THR  13  11.507  -1.783  -4.258
  121    HA   PRO  14           HA       PRO  14  11.088  -8.792  -5.303
  122    HB2  PRO  14           HB2      PRO  14   8.627  -8.609  -6.434
  123    HB3  PRO  14           HB3      PRO  14   8.872  -8.814  -4.696
  124    HG2  PRO  14           HG2      PRO  14   8.288  -6.320  -6.245
  125    HG3  PRO  14           HG3      PRO  14   7.608  -6.862  -4.699
  126    HD2  PRO  14           HD2      PRO  14   9.576  -5.009  -4.856
  127    HD3  PRO  14           HD3      PRO  14   9.441  -6.145  -3.499
  128    H    THR  15           H        THR  15  10.416  -9.763  -7.502
  129    HA   THR  15           HA       THR  15  11.338  -7.977  -9.659
  130    HB   THR  15           HB       THR  15  12.164 -10.141 -10.756
  131    HG1  THR  15           HG1      THR  15  12.522 -11.866  -9.379
  132   HG21  THR  15          3HG2      THR  15  14.153 -10.148  -8.930
  133   HG22  THR  15          1HG2      THR  15  13.374  -8.616  -8.538
  134   HG23  THR  15          2HG2      THR  15  13.970  -8.910 -10.172
  135    H    LEU  16           H        LEU  16   9.076  -7.493 -10.031
  136    HA   LEU  16           HA       LEU  16   7.497  -9.692 -11.152
  137    HB2  LEU  16           HB2      LEU  16   6.628  -7.996  -9.413
  138    HB3  LEU  16           HB3      LEU  16   6.530  -6.880 -10.774
  139    HG   LEU  16           HG       LEU  16   5.162  -9.542 -10.895
  140   HD11  LEU  16          1HD1      LEU  16   4.093  -7.039  -9.600
  141   HD12  LEU  16          2HD1      LEU  16   4.409  -8.583  -8.810
  142   HD13  LEU  16          3HD1      LEU  16   3.132  -8.457 -10.019
  143   HD21  LEU  16          3HD2      LEU  16   4.938  -8.611 -12.953
  144   HD22  LEU  16          1HD2      LEU  16   5.101  -6.962 -12.349
  145   HD23  LEU  16          2HD2      LEU  16   3.571  -7.821 -12.165
  Start of MODEL   15
    1    H1   LEU   1           H        LEU   1   2.484  -0.120   1.471
    2    HA   LEU   1           HA       LEU   1   0.782   1.771   0.106
    3    HB2  LEU   1           HB2      LEU   1   2.742   3.035  -0.815
    4    HB3  LEU   1           HB3      LEU   1   2.367   3.341   0.879
    5    HG   LEU   1           HG       LEU   1   4.232   1.458   1.205
    6   HD11  LEU   1          1HD1      LEU   1   4.468   2.293  -1.570
    7   HD12  LEU   1          2HD1      LEU   1   5.205   0.930  -0.729
    8   HD13  LEU   1          3HD1      LEU   1   5.958   2.523  -0.653
    9   HD21  LEU   1          3HD2      LEU   1   5.855   3.588   1.037
   10   HD22  LEU   1          1HD2      LEU   1   4.716   3.339   2.360
   11   HD23  LEU   1          2HD2      LEU   1   4.291   4.404   1.021
   12    H    VAL   2           H        VAL   2   0.401   1.081  -1.902
   13    HA   VAL   2           HA       VAL   2   2.028  -1.120  -2.937
   14    HB   VAL   2           HB       VAL   2  -0.607  -0.092  -3.995
   15   HG11  VAL   2          1HG1      VAL   2   1.289  -2.081  -4.897
   16   HG12  VAL   2          2HG1      VAL   2  -0.303  -2.785  -4.605
   17   HG13  VAL   2          3HG1      VAL   2  -0.129  -1.424  -5.714
   18   HG21  VAL   2          3HG2      VAL   2  -1.253  -2.429  -2.858
   19   HG22  VAL   2          1HG2      VAL   2   0.044  -1.929  -1.771
   20   HG23  VAL   2          2HG2      VAL   2  -1.359  -0.886  -2.009
   21    H    ARG   3           H        ARG   3   3.707   0.638  -3.341
   22    HA   ARG   3           HA       ARG   3   3.215   1.921  -5.947
   23    HB2  ARG   3           HB2      ARG   3   4.731   2.773  -3.533
   24    HB3  ARG   3           HB3      ARG   3   5.384   3.229  -5.101
   25    HG2  ARG   3           HG2      ARG   3   3.557   4.560  -5.618
   26    HG3  ARG   3           HG3      ARG   3   2.520   3.765  -4.432
   27    HD2  ARG   3           HD2      ARG   3   2.971   5.721  -3.332
   28    HD3  ARG   3           HD3      ARG   3   4.291   4.715  -2.736
   29    HE   ARG   3           HE       ARG   3   5.751   6.123  -3.772
   30   HH11  ARG   3          1HH1      ARG   3   2.621   6.489  -5.252
   31   HH12  ARG   3          2HH1      ARG   3   3.112   7.799  -6.273
   32   HH21  ARG   3          1HH2      ARG   3   6.409   7.848  -5.111
   33   HH22  ARG   3          2HH2      ARG   3   5.268   8.571  -6.193
   34    H    TYR   4           H        TYR   4   5.591   0.153  -4.010
   35    HA   TYR   4           HA       TYR   4   6.836  -0.754  -6.514
   36    HB2  TYR   4           HB2      TYR   4   8.450  -0.193  -4.032
   37    HB3  TYR   4           HB3      TYR   4   9.028  -0.462  -5.673
   38    HD1  TYR   4           HD2      TYR   4   7.547   1.968  -3.366
   39    HD2  TYR   4           HD1      TYR   4   8.985   1.320  -7.317
   40    HE1  TYR   4           HE2      TYR   4   7.577   4.397  -3.746
   41    HE2  TYR   4           HE1      TYR   4   9.020   3.748  -7.709
   42    HH   TYR   4           HH       TYR   4   8.576   6.027  -5.157
   43    H    THR   5           H        THR   5   7.262  -1.362  -3.027
   44    HA   THR   5           HA       THR   5   6.950  -4.237  -3.589
   45    HB   THR   5           HB       THR   5   8.384  -4.743  -1.773
   46    HG1  THR   5           HG1      THR   5   8.821  -3.358  -0.168
   47   HG21  THR   5          3HG2      THR   5   9.290  -3.380  -3.938
   48   HG22  THR   5          1HG2      THR   5  10.333  -4.095  -2.710
   49   HG23  THR   5          2HG2      THR   5   9.921  -2.383  -2.628
   50    H    LYS   6           H        LYS   6   5.875  -5.539  -1.993
   51    HA   LYS   6           HA       LYS   6   3.423  -4.529  -1.144
   52    HB2  LYS   6           HB2      LYS   6   4.051  -6.954  -1.491
   53    HB3  LYS   6           HB3      LYS   6   4.835  -6.898   0.083
   54    HG2  LYS   6           HG2      LYS   6   2.775  -7.778   0.600
   55    HG3  LYS   6           HG3      LYS   6   2.527  -6.060   0.919
   56    HD2  LYS   6           HD2      LYS   6   1.946  -7.043  -1.820
   57    HD3  LYS   6           HD3      LYS   6   0.826  -7.502  -0.536
   58    HE2  LYS   6           HE2      LYS   6   1.020  -4.920   0.036
   59    HE3  LYS   6           HE3      LYS   6   1.429  -4.825  -1.677
   60    HZ1  LYS   6           HZ1      LYS   6  -0.889  -6.443  -1.050
   61    HZ2  LYS   6           HZ2      LYS   6  -0.659  -5.314  -2.287
   62    HZ3  LYS   6           HZ3      LYS   6  -1.068  -4.791  -0.731
   63    H    LYS   7           H        LYS   7   6.524  -4.427   0.369
   64    HA   LYS   7           HA       LYS   7   5.303  -3.421   2.853
   65    HB2  LYS   7           HB2      LYS   7   7.170  -5.414   2.563
   66    HB3  LYS   7           HB3      LYS   7   8.176  -4.015   2.915
   67    HG2  LYS   7           HG2      LYS   7   7.765  -4.878   5.011
   68    HG3  LYS   7           HG3      LYS   7   6.530  -3.624   4.872
   69    HD2  LYS   7           HD2      LYS   7   5.470  -5.562   5.761
   70    HD3  LYS   7           HD3      LYS   7   4.948  -5.408   4.082
   71    HE2  LYS   7           HE2      LYS   7   6.209  -7.215   3.388
   72    HE3  LYS   7           HE3      LYS   7   7.331  -7.084   4.741
   73    HZ1  LYS   7           HZ1      LYS   7   5.034  -8.687   4.521
   74    HZ2  LYS   7           HZ2      LYS   7   4.803  -7.596   5.792
   75    HZ3  LYS   7           HZ3      LYS   7   6.152  -8.616   5.790
   76    H    VAL   8           H        VAL   8   7.439  -2.094   3.935
   77    HA   VAL   8           HA       VAL   8   7.273   0.445   2.899
   78    HB   VAL   8           HB       VAL   8   8.174   0.022   5.117
   79   HG11  VAL   8          1HG1      VAL   8  10.891  -0.591   4.511
   80   HG12  VAL   8          2HG1      VAL   8   9.739  -1.507   5.485
   81   HG13  VAL   8          3HG1      VAL   8   9.852  -1.795   3.748
   82   HG21  VAL   8          3HG2      VAL   8   8.717   2.153   4.165
   83   HG22  VAL   8          1HG2      VAL   8  10.136   1.560   5.028
   84   HG23  VAL   8          2HG2      VAL   8  10.071   1.464   3.269
   85    HA   PRO   9           HA       PRO   9   9.631   0.296  -0.840
   86    HB2  PRO   9           HB2      PRO   9   9.825   2.974  -1.237
   87    HB3  PRO   9           HB3      PRO   9   8.339   2.065  -1.533
   88    HG2  PRO   9           HG2      PRO   9   9.105   3.723   0.839
   89    HG3  PRO   9           HG3      PRO   9   7.554   3.643  -0.016
   90    HD2  PRO   9           HD2      PRO   9   8.001   2.342   2.316
   91    HD3  PRO   9           HD3      PRO   9   6.917   1.707   1.061
   92    H    GLN  10           H        GLN  10  11.736  -0.135  -0.952
   93    HA   GLN  10           HA       GLN  10  13.631   1.703   0.335
   94    HB2  GLN  10           HB2      GLN  10  13.968  -1.296   0.358
   95    HB3  GLN  10           HB3      GLN  10  14.960  -0.101   1.184
   96    HG2  GLN  10           HG2      GLN  10  12.835   0.511   2.462
   97    HG3  GLN  10           HG3      GLN  10  12.181  -1.003   1.840
   98   HE21  GLN  10          1HE2      GLN  10  13.331  -2.967   2.361
   99   HE22  GLN  10          2HE2      GLN  10  14.210  -3.070   3.845
  100    H    VAL  11           H        VAL  11  15.981   0.510  -0.388
  101    HA   VAL  11           HA       VAL  11  16.112   1.164  -3.180
  102    HB   VAL  11           HB       VAL  11  18.537   0.574  -2.943
  103   HG11  VAL  11          1HG1      VAL  11  18.879   2.411  -1.081
  104   HG12  VAL  11          2HG1      VAL  11  18.226   2.824  -2.668
  105   HG13  VAL  11          3HG1      VAL  11  17.141   2.618  -1.293
  106   HG21  VAL  11          3HG2      VAL  11  18.468   0.539  -0.036
  107   HG22  VAL  11          1HG2      VAL  11  17.682  -0.867  -0.754
  108   HG23  VAL  11          2HG2      VAL  11  19.357  -0.490  -1.158
  109    H    SER  12           H        SER  12  14.446  -0.775  -3.383
  110    HA   SER  12           HA       SER  12  15.656  -2.723  -4.976
  111    HB2  SER  12           HB2      SER  12  15.046  -4.715  -3.412
  112    HB3  SER  12           HB3      SER  12  16.567  -3.861  -3.149
  113    HG   SER  12           HG       SER  12  15.844  -3.574  -1.203
  114    H    THR  13           H        THR  13  14.022  -4.726  -5.174
  115    HA   THR  13           HA       THR  13  11.278  -4.187  -4.657
  116    HB   THR  13           HB       THR  13  10.953  -4.206  -7.361
  117    HG1  THR  13           HG1      THR  13  12.580  -3.249  -8.327
  118   HG21  THR  13          3HG2      THR  13   9.684  -2.485  -6.743
  119   HG22  THR  13          1HG2      THR  13  11.120  -1.478  -6.569
  120   HG23  THR  13          2HG2      THR  13  10.529  -2.415  -5.197
  121    HA   PRO  14           HA       PRO  14  10.919  -8.477  -5.510
  122    HB2  PRO  14           HB2      PRO  14   8.378  -8.665  -6.448
  123    HB3  PRO  14           HB3      PRO  14   8.754  -8.345  -4.750
  124    HG2  PRO  14           HG2      PRO  14   7.974  -6.426  -6.912
  125    HG3  PRO  14           HG3      PRO  14   7.426  -6.497  -5.227
  126    HD2  PRO  14           HD2      PRO  14   9.313  -4.749  -6.074
  127    HD3  PRO  14           HD3      PRO  14   9.314  -5.436  -4.437
  128    H    THR  15           H        THR  15  10.558 -10.094  -7.193
  129    HA   THR  15           HA       THR  15  10.827  -8.996  -9.915
  130    HB   THR  15           HB       THR  15  12.175 -11.549  -9.070
  131    HG1  THR  15           HG1      THR  15  13.323 -10.237  -7.818
  132   HG21  THR  15          3HG2      THR  15  13.647 -10.170 -11.004
  133   HG22  THR  15          1HG2      THR  15  11.962  -9.983 -11.486
  134   HG23  THR  15          2HG2      THR  15  12.639 -11.594 -11.252
  135    H    LEU  16           H        LEU  16   8.409  -9.870  -8.634
  136    HA   LEU  16           HA       LEU  16   7.713 -12.508  -9.346
  137    HB2  LEU  16           HB2      LEU  16   6.234 -10.044  -8.592
  138    HB3  LEU  16           HB3      LEU  16   5.327 -11.352  -9.349
  139    HG   LEU  16           HG       LEU  16   5.210 -11.377  -6.882
  140   HD11  LEU  16          1HD1      LEU  16   5.056 -13.611  -6.882
  141   HD12  LEU  16          2HD1      LEU  16   6.727 -13.828  -7.401
  142   HD13  LEU  16          3HD1      LEU  16   5.473 -13.476  -8.590
  143   HD21  LEU  16          3HD2      LEU  16   7.630 -10.539  -6.677
  144   HD22  LEU  16          1HD2      LEU  16   8.084 -12.233  -6.867
  145   HD23  LEU  16          2HD2      LEU  16   7.063 -11.740  -5.515
  Start of MODEL   16
    1    H1   LEU   1           H        LEU   1   3.682   2.769   1.757
    2    HA   LEU   1           HA       LEU   1   3.077   3.617  -0.647
    3    HB2  LEU   1           HB2      LEU   1   5.200   2.575  -0.209
    4    HB3  LEU   1           HB3      LEU   1   4.443   0.988  -0.099
    5    HG   LEU   1           HG       LEU   1   3.758   1.694  -2.621
    6   HD11  LEU   1          1HD1      LEU   1   6.234   3.185  -1.898
    7   HD12  LEU   1          2HD1      LEU   1   4.900   3.655  -2.950
    8   HD13  LEU   1          3HD1      LEU   1   6.091   2.481  -3.509
    9   HD21  LEU   1          3HD2      LEU   1   5.760   0.009  -1.345
   10   HD22  LEU   1          1HD2      LEU   1   6.204   0.490  -2.982
   11   HD23  LEU   1          2HD2      LEU   1   4.675  -0.340  -2.692
   12    H    VAL   2           H        VAL   2   2.678   0.106  -0.239
   13    HA   VAL   2           HA       VAL   2   1.217  -1.368  -1.183
   14    HB   VAL   2           HB       VAL   2  -0.806   0.854  -0.901
   15   HG11  VAL   2          1HG1      VAL   2  -2.133  -1.383  -0.294
   16   HG12  VAL   2          2HG1      VAL   2  -1.998  -0.771  -1.944
   17   HG13  VAL   2          3HG1      VAL   2  -0.931  -2.062  -1.391
   18   HG21  VAL   2          3HG2      VAL   2  -0.028   0.812   1.247
   19   HG22  VAL   2          1HG2      VAL   2  -1.192  -0.510   1.331
   20   HG23  VAL   2          2HG2      VAL   2   0.525  -0.859   1.133
   21    H    ARG   3           H        ARG   3   2.620  -0.721  -3.167
   22    HA   ARG   3           HA       ARG   3   0.792  -0.408  -5.381
   23    HB2  ARG   3           HB2      ARG   3   2.890   1.644  -4.738
   24    HB3  ARG   3           HB3      ARG   3   2.384   1.365  -6.399
   25    HG2  ARG   3           HG2      ARG   3  -0.007   1.719  -5.470
   26    HG3  ARG   3           HG3      ARG   3   0.823   2.477  -4.110
   27    HD2  ARG   3           HD2      ARG   3   1.814   4.113  -5.516
   28    HD3  ARG   3           HD3      ARG   3   1.322   3.252  -6.974
   29    HE   ARG   3           HE       ARG   3  -0.745   4.225  -6.812
   30   HH11  ARG   3          1HH1      ARG   3   0.951   4.624  -3.798
   31   HH12  ARG   3          2HH1      ARG   3  -0.229   5.700  -3.126
   32   HH21  ARG   3          1HH2      ARG   3  -2.306   5.641  -5.938
   33   HH22  ARG   3          2HH2      ARG   3  -2.082   6.277  -4.344
   34    H    TYR   4           H        TYR   4   4.272  -0.336  -4.600
   35    HA   TYR   4           HA       TYR   4   4.782  -2.106  -6.874
   36    HB2  TYR   4           HB2      TYR   4   6.854  -0.833  -5.091
   37    HB3  TYR   4           HB3      TYR   4   7.066  -1.470  -6.718
   38    HD1  TYR   4           HD2      TYR   4   5.227  -0.283  -8.417
   39    HD2  TYR   4           HD1      TYR   4   7.007   1.456  -4.966
   40    HE1  TYR   4           HE2      TYR   4   4.831   1.958  -9.349
   41    HE2  TYR   4           HE1      TYR   4   6.615   3.702  -5.888
   42    HH   TYR   4           HH       TYR   4   6.277   4.748  -8.107
   43    H    THR   5           H        THR   5   6.151  -1.858  -3.591
   44    HA   THR   5           HA       THR   5   6.200  -4.797  -3.483
   45    HB   THR   5           HB       THR   5   7.729  -2.961  -1.646
   46    HG1  THR   5           HG1      THR   5   8.621  -2.428  -3.556
   47   HG21  THR   5          3HG2      THR   5   9.218  -5.191  -1.958
   48   HG22  THR   5          1HG2      THR   5   7.602  -5.863  -2.171
   49   HG23  THR   5          2HG2      THR   5   8.008  -4.994  -0.691
   50    H    LYS   6           H        LYS   6   5.716  -5.832  -1.442
   51    HA   LYS   6           HA       LYS   6   3.284  -5.056  -0.334
   52    HB2  LYS   6           HB2      LYS   6   5.345  -7.077   0.267
   53    HB3  LYS   6           HB3      LYS   6   4.334  -6.623   1.632
   54    HG2  LYS   6           HG2      LYS   6   3.191  -7.452  -1.018
   55    HG3  LYS   6           HG3      LYS   6   3.570  -8.604   0.265
   56    HD2  LYS   6           HD2      LYS   6   1.763  -8.030   1.462
   57    HD3  LYS   6           HD3      LYS   6   2.016  -6.306   1.182
   58    HE2  LYS   6           HE2      LYS   6   0.008  -6.694   0.102
   59    HE3  LYS   6           HE3      LYS   6   1.174  -6.827  -1.213
   60    HZ1  LYS   6           HZ1      LYS   6  -0.019  -8.709  -1.562
   61    HZ2  LYS   6           HZ2      LYS   6  -0.429  -8.909   0.067
   62    HZ3  LYS   6           HZ3      LYS   6   1.115  -9.338  -0.475
   63    H    LYS   7           H        LYS   7   6.535  -4.176   0.527
   64    HA   LYS   7           HA       LYS   7   5.474  -2.580   2.767
   65    HB2  LYS   7           HB2      LYS   7   7.336  -4.578   2.972
   66    HB3  LYS   7           HB3      LYS   7   8.357  -3.156   2.803
   67    HG2  LYS   7           HG2      LYS   7   8.105  -3.337   5.089
   68    HG3  LYS   7           HG3      LYS   7   6.871  -2.151   4.659
   69    HD2  LYS   7           HD2      LYS   7   5.863  -3.689   6.167
   70    HD3  LYS   7           HD3      LYS   7   5.227  -4.053   4.561
   71    HE2  LYS   7           HE2      LYS   7   6.377  -6.034   4.408
   72    HE3  LYS   7           HE3      LYS   7   7.655  -5.501   5.499
   73    HZ1  LYS   7           HZ1      LYS   7   6.629  -6.637   7.081
   74    HZ2  LYS   7           HZ2      LYS   7   5.298  -6.961   6.089
   75    HZ3  LYS   7           HZ3      LYS   7   5.345  -5.539   7.004
   76    H    VAL   8           H        VAL   8   7.605  -0.973   3.281
   77    HA   VAL   8           HA       VAL   8   7.383   1.012   1.290
   78    HB   VAL   8           HB       VAL   8   7.838   1.602   3.605
   79   HG11  VAL   8          1HG1      VAL   8   9.639  -0.474   3.558
   80   HG12  VAL   8          2HG1      VAL   8  10.678   0.952   3.600
   81   HG13  VAL   8          3HG1      VAL   8   9.461   0.709   4.854
   82   HG21  VAL   8          3HG2      VAL   8  10.030   2.383   1.687
   83   HG22  VAL   8          1HG2      VAL   8   8.502   3.218   1.961
   84   HG23  VAL   8          2HG2      VAL   8   9.727   3.183   3.229
   85    HA   PRO   9           HA       PRO   9  10.437  -0.370  -1.596
   86    HB2  PRO   9           HB2      PRO   9  10.626   1.928  -3.028
   87    HB3  PRO   9           HB3      PRO   9   9.256   0.820  -3.166
   88    HG2  PRO   9           HG2      PRO   9   9.487   3.363  -1.603
   89    HG3  PRO   9           HG3      PRO   9   8.139   2.779  -2.596
   90    HD2  PRO   9           HD2      PRO   9   8.153   2.578   0.105
   91    HD3  PRO   9           HD3      PRO   9   7.359   1.380  -0.938
   92    H    GLN  10           H        GLN  10  12.368  -0.649  -0.573
   93    HA   GLN  10           HA       GLN  10  13.993   1.767  -0.117
   94    HB2  GLN  10           HB2      GLN  10  13.433   0.688   1.997
   95    HB3  GLN  10           HB3      GLN  10  14.050  -0.847   1.401
   96    HG2  GLN  10           HG2      GLN  10  16.283   0.337   1.133
   97    HG3  GLN  10           HG3      GLN  10  15.583   1.632   2.102
   98   HE21  GLN  10          1HE2      GLN  10  17.837   0.064   2.801
   99   HE22  GLN  10          2HE2      GLN  10  17.442  -0.814   4.236
  100    H    VAL  11           H        VAL  11  14.745  -1.707  -0.196
  101    HA   VAL  11           HA       VAL  11  16.556  -1.194  -2.461
  102    HB   VAL  11           HB       VAL  11  18.064  -2.972  -1.409
  103   HG11  VAL  11          1HG1      VAL  11  18.359  -0.405  -1.488
  104   HG12  VAL  11          2HG1      VAL  11  17.975  -0.470   0.234
  105   HG13  VAL  11          3HG1      VAL  11  19.372  -1.346  -0.394
  106   HG21  VAL  11          3HG2      VAL  11  17.953  -3.144   1.039
  107   HG22  VAL  11          1HG2      VAL  11  16.468  -2.193   1.030
  108   HG23  VAL  11          2HG2      VAL  11  16.501  -3.785   0.270
  109    H    SER  12           H        SER  12  14.666  -3.554  -0.640
  110    HA   SER  12           HA       SER  12  14.898  -5.508  -2.788
  111    HB2  SER  12           HB2      SER  12  13.528  -5.619  -0.092
  112    HB3  SER  12           HB3      SER  12  13.528  -6.946  -1.254
  113    HG   SER  12           HG       SER  12  15.652  -7.245  -0.941
  114    H    THR  13           H        THR  13  13.306  -6.043  -4.189
  115    HA   THR  13           HA       THR  13  10.605  -5.039  -3.809
  116    HB   THR  13           HB       THR  13  10.752  -4.220  -6.314
  117    HG1  THR  13           HG1      THR  13  12.740  -4.091  -7.006
  118   HG21  THR  13          3HG2      THR  13  10.841  -2.964  -3.776
  119   HG22  THR  13          1HG2      THR  13  10.244  -2.304  -5.298
  120   HG23  THR  13          2HG2      THR  13  11.933  -2.080  -4.843
  121    HA   PRO  14           HA       PRO  14   9.448  -8.704  -5.928
  122    HB2  PRO  14           HB2      PRO  14   7.215  -7.915  -7.254
  123    HB3  PRO  14           HB3      PRO  14   7.262  -8.140  -5.502
  124    HG2  PRO  14           HG2      PRO  14   7.467  -5.613  -7.094
  125    HG3  PRO  14           HG3      PRO  14   6.552  -5.928  -5.608
  126    HD2  PRO  14           HD2      PRO  14   8.939  -4.650  -5.605
  127    HD3  PRO  14           HD3      PRO  14   8.408  -5.685  -4.263
  128    H    THR  15           H        THR  15   9.159  -9.705  -8.030
  129    HA   THR  15           HA       THR  15   9.936 -10.122 -10.135
  130    HB   THR  15           HB       THR  15   9.166  -8.683 -11.846
  131    HG1  THR  15           HG1      THR  15   8.600  -6.472 -11.354
  132   HG21  THR  15          3HG2      THR  15   7.180  -7.869  -9.796
  133   HG22  THR  15          1HG2      THR  15   7.476  -9.595  -9.999
  134   HG23  THR  15          2HG2      THR  15   6.936  -8.625 -11.370
  135    H    LEU  16           H        LEU  16  11.973  -9.389  -8.397
  136    HA   LEU  16           HA       LEU  16  13.843  -8.140 -10.272
  137    HB2  LEU  16           HB2      LEU  16  12.993  -6.497  -8.526
  138    HB3  LEU  16           HB3      LEU  16  13.868  -7.467  -7.343
  139    HG   LEU  16           HG       LEU  16  15.338  -6.389  -9.705
  140   HD11  LEU  16          1HD1      LEU  16  13.933  -4.550  -8.654
  141   HD12  LEU  16          2HD1      LEU  16  15.673  -4.277  -8.738
  142   HD13  LEU  16          3HD1      LEU  16  14.930  -4.762  -7.214
  143   HD21  LEU  16          3HD2      LEU  16  16.034  -7.900  -7.521
  144   HD22  LEU  16          1HD2      LEU  16  16.517  -6.272  -7.042
  145   HD23  LEU  16          2HD2      LEU  16  17.146  -6.976  -8.532
  Start of MODEL   17
    1    H1   LEU   1           H        LEU   1   3.897   1.643   2.154
    2    HA   LEU   1           HA       LEU   1   2.806   2.376  -0.483
    3    HB2  LEU   1           HB2      LEU   1   5.176   3.109   0.193
    4    HB3  LEU   1           HB3      LEU   1   5.607   1.412  -0.009
    5    HG   LEU   1           HG       LEU   1   4.212   2.627  -2.298
    6   HD11  LEU   1          1HD1      LEU   1   6.654   3.501  -2.921
    7   HD12  LEU   1          2HD1      LEU   1   6.695   3.781  -1.181
    8   HD13  LEU   1          3HD1      LEU   1   5.435   4.527  -2.163
    9   HD21  LEU   1          3HD2      LEU   1   5.329   1.046  -3.441
   10   HD22  LEU   1          1HD2      LEU   1   5.589   0.337  -1.847
   11   HD23  LEU   1          2HD2      LEU   1   6.840   1.343  -2.579
   12    H    VAL   2           H        VAL   2   1.668   0.763  -1.320
   13    HA   VAL   2           HA       VAL   2   2.615  -1.997  -0.891
   14    HB   VAL   2           HB       VAL   2  -0.213  -1.100  -1.462
   15   HG11  VAL   2          1HG1      VAL   2  -0.428  -3.216  -2.157
   16   HG12  VAL   2          2HG1      VAL   2   1.124  -3.696  -1.467
   17   HG13  VAL   2          3HG1      VAL   2  -0.317  -3.644  -0.450
   18   HG21  VAL   2          3HG2      VAL   2   0.419  -0.420   0.763
   19   HG22  VAL   2          1HG2      VAL   2  -0.656  -1.814   0.870
   20   HG23  VAL   2          2HG2      VAL   2   1.080  -2.019   1.104
   21    H    ARG   3           H        ARG   3   1.786   0.430  -3.191
   22    HA   ARG   3           HA       ARG   3   1.150  -1.014  -5.455
   23    HB2  ARG   3           HB2      ARG   3   2.829   1.489  -5.226
   24    HB3  ARG   3           HB3      ARG   3   2.170   0.870  -6.734
   25    HG2  ARG   3           HG2      ARG   3   0.010   1.436  -6.183
   26    HG3  ARG   3           HG3      ARG   3   0.336   1.414  -4.448
   27    HD2  ARG   3           HD2      ARG   3   1.831   3.426  -4.858
   28    HD3  ARG   3           HD3      ARG   3   1.109   3.506  -6.464
   29    HE   ARG   3           HE       ARG   3  -0.926   3.410  -4.522
   30   HH11  ARG   3          1HH1      ARG   3   1.531   5.545  -5.758
   31   HH12  ARG   3          2HH1      ARG   3   0.665   6.989  -5.351
   32   HH21  ARG   3          1HH2      ARG   3  -2.076   5.304  -3.981
   33   HH22  ARG   3          2HH2      ARG   3  -1.386   6.851  -4.340
   34    H    TYR   4           H        TYR   4   4.412   0.330  -5.009
   35    HA   TYR   4           HA       TYR   4   5.642  -1.409  -6.823
   36    HB2  TYR   4           HB2      TYR   4   7.023  -0.100  -4.480
   37    HB3  TYR   4           HB3      TYR   4   7.726  -0.551  -6.029
   38    HD1  TYR   4           HD2      TYR   4   5.697   0.517  -7.901
   39    HD2  TYR   4           HD1      TYR   4   7.343   2.210  -4.362
   40    HE1  TYR   4           HE2      TYR   4   5.235   2.771  -8.771
   41    HE2  TYR   4           HE1      TYR   4   6.884   4.468  -5.221
   42    HH   TYR   4           HH       TYR   4   4.867   5.061  -7.844
   43    H    THR   5           H        THR   5   6.191  -1.413  -3.301
   44    HA   THR   5           HA       THR   5   6.370  -4.354  -3.429
   45    HB   THR   5           HB       THR   5   7.899  -2.651  -1.464
   46    HG1  THR   5           HG1      THR   5   8.444  -2.367  -3.816
   47   HG21  THR   5          3HG2      THR   5   7.972  -4.758  -0.585
   48   HG22  THR   5          1HG2      THR   5   9.327  -4.884  -1.705
   49   HG23  THR   5          2HG2      THR   5   7.750  -5.539  -2.150
   50    H    LYS   6           H        LYS   6   5.750  -5.502  -1.507
   51    HA   LYS   6           HA       LYS   6   3.319  -4.742  -0.426
   52    HB2  LYS   6           HB2      LYS   6   4.004  -7.039  -0.344
   53    HB3  LYS   6           HB3      LYS   6   5.413  -6.643   0.631
   54    HG2  LYS   6           HG2      LYS   6   3.691  -7.679   1.983
   55    HG3  LYS   6           HG3      LYS   6   3.955  -6.008   2.486
   56    HD2  LYS   6           HD2      LYS   6   1.599  -6.381   2.443
   57    HD3  LYS   6           HD3      LYS   6   1.998  -5.365   1.056
   58    HE2  LYS   6           HE2      LYS   6   0.448  -7.051   0.345
   59    HE3  LYS   6           HE3      LYS   6   2.025  -7.410  -0.357
   60    HZ1  LYS   6           HZ1      LYS   6   2.375  -9.137   1.187
   61    HZ2  LYS   6           HZ2      LYS   6   0.798  -9.350   0.614
   62    HZ3  LYS   6           HZ3      LYS   6   1.058  -8.673   2.142
   63    H    LYS   7           H        LYS   7   6.542  -3.926   0.589
   64    HA   LYS   7           HA       LYS   7   5.405  -2.388   2.832
   65    HB2  LYS   7           HB2      LYS   7   7.228  -4.449   3.043
   66    HB3  LYS   7           HB3      LYS   7   8.254  -3.020   3.057
   67    HG2  LYS   7           HG2      LYS   7   7.786  -3.439   5.303
   68    HG3  LYS   7           HG3      LYS   7   6.695  -2.123   4.862
   69    HD2  LYS   7           HD2      LYS   7   5.376  -3.635   6.093
   70    HD3  LYS   7           HD3      LYS   7   4.958  -3.927   4.403
   71    HE2  LYS   7           HE2      LYS   7   5.222  -6.068   5.278
   72    HE3  LYS   7           HE3      LYS   7   6.767  -5.752   4.489
   73    HZ1  LYS   7           HZ1      LYS   7   7.397  -4.890   6.855
   74    HZ2  LYS   7           HZ2      LYS   7   7.459  -6.542   6.499
   75    HZ3  LYS   7           HZ3      LYS   7   6.140  -5.910   7.349
   76    H    VAL   8           H        VAL   8   7.553  -0.872   3.523
   77    HA   VAL   8           HA       VAL   8   7.518   1.177   1.583
   78    HB   VAL   8           HB       VAL   8   7.838   1.681   3.942
   79   HG11  VAL   8          1HG1      VAL   8  10.634   0.612   3.788
   80   HG12  VAL   8          2HG1      VAL   8   9.680   1.030   5.213
   81   HG13  VAL   8          3HG1      VAL   8   9.290  -0.417   4.282
   82   HG21  VAL   8          3HG2      VAL   8   9.781   3.224   3.732
   83   HG22  VAL   8          1HG2      VAL   8  10.164   2.460   2.189
   84   HG23  VAL   8          2HG2      VAL   8   8.642   3.328   2.390
   85    HA   PRO   9           HA       PRO   9  10.711  -0.225  -1.139
   86    HB2  PRO   9           HB2      PRO   9  11.060   2.103  -2.491
   87    HB3  PRO   9           HB3      PRO   9   9.670   1.042  -2.748
   88    HG2  PRO   9           HG2      PRO   9   9.872   3.535  -1.103
   89    HG3  PRO   9           HG3      PRO   9   8.576   3.018  -2.196
   90    HD2  PRO   9           HD2      PRO   9   8.408   2.747   0.493
   91    HD3  PRO   9           HD3      PRO   9   7.649   1.602  -0.632
   92    H    GLN  10           H        GLN  10  12.603  -0.589  -0.103
   93    HA   GLN  10           HA       GLN  10  14.266   1.761   0.520
   94    HB2  GLN  10           HB2      GLN  10  13.508   0.721   2.597
   95    HB3  GLN  10           HB3      GLN  10  14.115  -0.839   2.056
   96    HG2  GLN  10           HG2      GLN  10  16.399   0.293   1.933
   97    HG3  GLN  10           HG3      GLN  10  15.665   1.589   2.876
   98   HE21  GLN  10          1HE2      GLN  10  17.705  -0.708   3.308
   99   HE22  GLN  10          2HE2      GLN  10  17.244  -1.342   4.848
  100    H    VAL  11           H        VAL  11  14.870  -1.743   0.518
  101    HA   VAL  11           HA       VAL  11  16.859  -1.328  -1.614
  102    HB   VAL  11           HB       VAL  11  18.202  -3.168  -0.452
  103   HG11  VAL  11          1HG1      VAL  11  19.455  -1.596   0.793
  104   HG12  VAL  11          2HG1      VAL  11  18.734  -0.696  -0.543
  105   HG13  VAL  11          3HG1      VAL  11  18.041  -0.581   1.075
  106   HG21  VAL  11          3HG2      VAL  11  16.475  -3.893   1.108
  107   HG22  VAL  11          1HG2      VAL  11  17.906  -3.335   1.974
  108   HG23  VAL  11          2HG2      VAL  11  16.480  -2.303   1.871
  109    H    SER  12           H        SER  12  14.730  -3.586   0.068
  110    HA   SER  12           HA       SER  12  15.017  -5.549  -2.069
  111    HB2  SER  12           HB2      SER  12  13.756  -5.565   0.653
  112    HB3  SER  12           HB3      SER  12  13.285  -6.779  -0.536
  113    HG   SER  12           HG       SER  12  14.988  -7.767   0.227
  114    H    THR  13           H        THR  13  13.627  -5.764  -3.695
  115    HA   THR  13           HA       THR  13  10.877  -4.842  -3.420
  116    HB   THR  13           HB       THR  13  11.165  -3.739  -5.770
  117    HG1  THR  13           HG1      THR  13  13.182  -3.699  -6.394
  118   HG21  THR  13          3HG2      THR  13  11.129  -2.768  -3.148
  119   HG22  THR  13          1HG2      THR  13  10.778  -1.866  -4.621
  120   HG23  THR  13          2HG2      THR  13  12.412  -1.871  -3.958
  121    HA   PRO  14           HA       PRO  14   9.941  -8.288  -5.971
  122    HB2  PRO  14           HB2      PRO  14   7.780  -7.393  -7.348
  123    HB3  PRO  14           HB3      PRO  14   7.722  -7.803  -5.630
  124    HG2  PRO  14           HG2      PRO  14   7.973  -5.118  -6.928
  125    HG3  PRO  14           HG3      PRO  14   6.974  -5.603  -5.547
  126    HD2  PRO  14           HD2      PRO  14   9.329  -4.300  -5.254
  127    HD3  PRO  14           HD3      PRO  14   8.736  -5.479  -4.067
  128    H    THR  15           H        THR  15  12.002  -7.916  -7.179
  129    HA   THR  15           HA       THR  15  12.029  -6.450  -9.606
  130    HB   THR  15           HB       THR  15  13.819  -8.807  -9.058
  131    HG1  THR  15           HG1      THR  15  14.250  -6.168  -8.085
  132   HG21  THR  15          3HG2      THR  15  14.006  -6.265 -10.640
  133   HG22  THR  15          1HG2      THR  15  14.286  -7.923 -11.168
  134   HG23  THR  15          2HG2      THR  15  15.459  -7.120 -10.124
  135    H    LEU  16           H        LEU  16  10.416  -6.976 -11.011
  136    HA   LEU  16           HA       LEU  16   9.627  -9.647 -11.586
  137    HB2  LEU  16           HB2      LEU  16   8.266  -7.517 -11.867
  138    HB3  LEU  16           HB3      LEU  16   9.176  -7.258 -13.354
  139    HG   LEU  16           HG       LEU  16   7.756  -9.851 -13.011
  140   HD11  LEU  16          1HD1      LEU  16   5.853  -8.747 -12.517
  141   HD12  LEU  16          2HD1      LEU  16   5.848  -8.421 -14.250
  142   HD13  LEU  16          3HD1      LEU  16   6.458  -7.206 -13.126
  143   HD21  LEU  16          3HD2      LEU  16   8.220 -10.030 -15.175
  144   HD22  LEU  16          1HD2      LEU  16   9.162  -8.545 -15.042
  145   HD23  LEU  16          2HD2      LEU  16   7.466  -8.473 -15.522
  Start of MODEL   18
    1    H1   LEU   1           H        LEU   1   1.416   0.815   0.779
    2    HA   LEU   1           HA       LEU   1   2.991   2.690  -0.831
    3    HB2  LEU   1           HB2      LEU   1   3.462   1.371   1.600
    4    HB3  LEU   1           HB3      LEU   1   4.543   0.623   0.427
    5    HG   LEU   1           HG       LEU   1   4.411   3.597   0.884
    6   HD11  LEU   1          1HD1      LEU   1   6.769   2.792   1.970
    7   HD12  LEU   1          2HD1      LEU   1   5.690   1.487   2.463
    8   HD13  LEU   1          3HD1      LEU   1   5.308   3.155   2.889
    9   HD21  LEU   1          3HD2      LEU   1   6.339   3.731  -0.408
   10   HD22  LEU   1          1HD2      LEU   1   5.366   2.533  -1.261
   11   HD23  LEU   1          2HD2      LEU   1   6.698   2.013  -0.228
   12    H    VAL   2           H        VAL   2   1.192   0.593  -1.924
   13    HA   VAL   2           HA       VAL   2   2.698  -1.566  -2.934
   14    HB   VAL   2           HB       VAL   2   0.208  -1.476  -2.897
   15   HG11  VAL   2          1HG1      VAL   2   0.022  -0.107  -5.474
   16   HG12  VAL   2          2HG1      VAL   2  -1.000   0.024  -4.041
   17   HG13  VAL   2          3HG1      VAL   2   0.505   0.940  -4.140
   18   HG21  VAL   2          3HG2      VAL   2  -0.088  -2.772  -4.861
   19   HG22  VAL   2          1HG2      VAL   2   1.248  -1.962  -5.679
   20   HG23  VAL   2          2HG2      VAL   2   1.570  -3.049  -4.328
   21    H    ARG   3           H        ARG   3   2.719   1.735  -3.721
   22    HA   ARG   3           HA       ARG   3   3.189   1.819  -6.437
   23    HB2  ARG   3           HB2      ARG   3   4.075   3.483  -4.128
   24    HB3  ARG   3           HB3      ARG   3   4.849   3.753  -5.683
   25    HG2  ARG   3           HG2      ARG   3   1.872   3.691  -5.509
   26    HG3  ARG   3           HG3      ARG   3   2.756   5.134  -5.008
   27    HD2  ARG   3           HD2      ARG   3   2.361   5.591  -7.229
   28    HD3  ARG   3           HD3      ARG   3   3.958   4.848  -7.305
   29    HE   ARG   3           HE       ARG   3   1.941   2.887  -7.606
   30   HH11  ARG   3          1HH1      ARG   3   3.505   5.493  -9.304
   31   HH12  ARG   3          2HH1      ARG   3   3.217   4.817 -10.873
   32   HH21  ARG   3          1HH2      ARG   3   1.556   1.987  -9.666
   33   HH22  ARG   3          2HH2      ARG   3   2.107   2.823 -11.078
   34    H    TYR   4           H        TYR   4   5.380   0.912  -3.842
   35    HA   TYR   4           HA       TYR   4   7.450   0.311  -5.849
   36    HB2  TYR   4           HB2      TYR   4   7.910   0.548  -2.880
   37    HB3  TYR   4           HB3      TYR   4   9.104   0.594  -4.172
   38    HD1  TYR   4           HD2      TYR   4   7.937   2.522  -6.041
   39    HD2  TYR   4           HD1      TYR   4   8.072   2.593  -1.789
   40    HE1  TYR   4           HE2      TYR   4   7.801   4.977  -6.084
   41    HE2  TYR   4           HE1      TYR   4   7.935   5.049  -1.820
   42    HH   TYR   4           HH       TYR   4   7.289   6.816  -4.749
   43    H    THR   5           H        THR   5   6.635  -0.891  -2.594
   44    HA   THR   5           HA       THR   5   6.503  -3.613  -3.682
   45    HB   THR   5           HB       THR   5   7.926  -4.541  -2.023
   46    HG1  THR   5           HG1      THR   5   8.962  -2.856  -0.532
   47   HG21  THR   5          3HG2      THR   5   8.880  -2.872  -3.947
   48   HG22  THR   5          1HG2      THR   5   9.890  -3.885  -2.917
   49   HG23  THR   5          2HG2      THR   5   9.627  -2.191  -2.503
   50    H    LYS   6           H        LYS   6   6.061  -5.062  -1.471
   51    HA   LYS   6           HA       LYS   6   3.454  -4.100  -0.613
   52    HB2  LYS   6           HB2      LYS   6   4.827  -6.720  -0.739
   53    HB3  LYS   6           HB3      LYS   6   3.684  -6.511   0.582
   54    HG2  LYS   6           HG2      LYS   6   2.761  -5.698  -2.103
   55    HG3  LYS   6           HG3      LYS   6   2.989  -7.427  -1.827
   56    HD2  LYS   6           HD2      LYS   6   0.732  -6.937  -1.276
   57    HD3  LYS   6           HD3      LYS   6   1.587  -7.165   0.251
   58    HE2  LYS   6           HE2      LYS   6   0.097  -5.238   0.359
   59    HE3  LYS   6           HE3      LYS   6   1.783  -4.744   0.506
   60    HZ1  LYS   6           HZ1      LYS   6  -0.038  -3.706  -1.227
   61    HZ2  LYS   6           HZ2      LYS   6   0.866  -4.746  -2.206
   62    HZ3  LYS   6           HZ3      LYS   6   1.641  -3.523  -1.332
   63    H    LYS   7           H        LYS   7   6.652  -4.495   0.630
   64    HA   LYS   7           HA       LYS   7   5.688  -3.807   3.329
   65    HB2  LYS   7           HB2      LYS   7   8.312  -5.131   2.631
   66    HB3  LYS   7           HB3      LYS   7   7.652  -4.872   4.241
   67    HG2  LYS   7           HG2      LYS   7   5.754  -6.334   2.704
   68    HG3  LYS   7           HG3      LYS   7   7.332  -7.109   2.552
   69    HD2  LYS   7           HD2      LYS   7   6.408  -8.108   4.446
   70    HD3  LYS   7           HD3      LYS   7   7.466  -6.860   5.110
   71    HE2  LYS   7           HE2      LYS   7   5.442  -6.709   6.317
   72    HE3  LYS   7           HE3      LYS   7   5.431  -5.360   5.182
   73    HZ1  LYS   7           HZ1      LYS   7   4.108  -6.891   3.683
   74    HZ2  LYS   7           HZ2      LYS   7   3.309  -6.297   5.051
   75    HZ3  LYS   7           HZ3      LYS   7   3.896  -7.884   5.037
   76    H    VAL   8           H        VAL   8   8.012  -2.970   4.482
   77    HA   VAL   8           HA       VAL   8   8.193  -0.302   3.819
   78    HB   VAL   8           HB       VAL   8  10.380  -1.979   5.059
   79   HG11  VAL   8          1HG1      VAL   8  11.191   0.086   6.018
   80   HG12  VAL   8          2HG1      VAL   8  11.119   0.239   4.261
   81   HG13  VAL   8          3HG1      VAL   8   9.876   0.988   5.265
   82   HG21  VAL   8          3HG2      VAL   8   9.333  -0.901   7.180
   83   HG22  VAL   8          1HG2      VAL   8   7.905  -0.713   6.162
   84   HG23  VAL   8          2HG2      VAL   8   8.569  -2.319   6.462
   85    HA   PRO   9           HA       PRO   9  10.484  -0.262   0.036
   86    HB2  PRO   9           HB2      PRO   9  11.053   2.393   0.002
   87    HB3  PRO   9           HB3      PRO   9   9.451   1.749  -0.377
   88    HG2  PRO   9           HG2      PRO   9  10.457   2.940   2.178
   89    HG3  PRO   9           HG3      PRO   9   8.905   3.196   1.359
   90    HD2  PRO   9           HD2      PRO   9   9.176   1.534   3.480
   91    HD3  PRO   9           HD3      PRO   9   8.007   1.237   2.178
   92    H    GLN  10           H        GLN  10  12.574  -0.560  -0.492
   93    HA   GLN  10           HA       GLN  10  14.689   0.682   1.063
   94    HB2  GLN  10           HB2      GLN  10  14.333  -2.311   0.884
   95    HB3  GLN  10           HB3      GLN  10  15.836  -1.539   1.372
   96    HG2  GLN  10           HG2      GLN  10  14.350  -0.355   3.139
   97    HG3  GLN  10           HG3      GLN  10  13.226  -1.671   2.808
   98   HE21  GLN  10          1HE2      GLN  10  14.723  -1.032   5.236
   99   HE22  GLN  10          2HE2      GLN  10  15.654  -2.439   5.605
  100    H    VAL  11           H        VAL  11  14.151   1.381  -1.438
  101    HA   VAL  11           HA       VAL  11  14.949   1.546  -3.568
  102    HB   VAL  11           HB       VAL  11  17.520   0.378  -2.531
  103   HG11  VAL  11          1HG1      VAL  11  17.942   2.649  -4.113
  104   HG12  VAL  11          2HG1      VAL  11  18.226   0.965  -4.555
  105   HG13  VAL  11          3HG1      VAL  11  16.679   1.726  -4.925
  106   HG21  VAL  11          3HG2      VAL  11  16.241   2.998  -1.885
  107   HG22  VAL  11          1HG2      VAL  11  17.145   1.901  -0.841
  108   HG23  VAL  11          2HG2      VAL  11  17.996   2.895  -2.024
  109    H    SER  12           H        SER  12  13.500  -0.780  -3.151
  110    HA   SER  12           HA       SER  12  14.602  -2.459  -5.233
  111    HB2  SER  12           HB2      SER  12  14.680  -4.496  -4.013
  112    HB3  SER  12           HB3      SER  12  15.533  -3.317  -3.016
  113    HG   SER  12           HG       SER  12  13.431  -4.789  -2.364
  114    H    THR  13           H        THR  13  13.053  -4.007  -6.055
  115    HA   THR  13           HA       THR  13  10.275  -3.465  -5.251
  116    HB   THR  13           HB       THR  13   9.842  -3.843  -7.838
  117    HG1  THR  13           HG1      THR  13  12.421  -2.625  -7.786
  118   HG21  THR  13          3HG2      THR  13  10.764  -1.237  -6.623
  119   HG22  THR  13          1HG2      THR  13   9.121  -1.876  -6.622
  120   HG23  THR  13          2HG2      THR  13   9.875  -1.384  -8.139
  121    HA   PRO  14           HA       PRO  14   9.608  -7.802  -5.356
  122    HB2  PRO  14           HB2      PRO  14   7.075  -7.970  -6.318
  123    HB3  PRO  14           HB3      PRO  14   7.448  -7.385  -4.692
  124    HG2  PRO  14           HG2      PRO  14   6.847  -5.824  -7.175
  125    HG3  PRO  14           HG3      PRO  14   6.270  -5.559  -5.520
  126    HD2  PRO  14           HD2      PRO  14   8.295  -4.125  -6.604
  127    HD3  PRO  14           HD3      PRO  14   8.220  -4.513  -4.873
  128    H    THR  15           H        THR  15  11.025  -8.621  -6.879
  129    HA   THR  15           HA       THR  15  10.105  -8.704  -9.670
  130    HB   THR  15           HB       THR  15  12.506  -9.559 -10.068
  131    HG1  THR  15           HG1      THR  15  12.806  -9.783  -7.678
  132   HG21  THR  15          3HG2      THR  15  12.942  -7.480 -10.781
  133   HG22  THR  15          1HG2      THR  15  12.852  -6.813  -9.152
  134   HG23  THR  15          2HG2      THR  15  11.379  -7.040 -10.095
  135    H    LEU  16           H        LEU  16   8.557 -10.388  -9.095
  136    HA   LEU  16           HA       LEU  16   9.714 -12.992  -8.444
  137    HB2  LEU  16           HB2      LEU  16   6.808 -12.326  -8.845
  138    HB3  LEU  16           HB3      LEU  16   7.492 -13.740  -8.045
  139    HG   LEU  16           HG       LEU  16   7.887 -10.973  -6.948
  140   HD11  LEU  16          1HD1      LEU  16   5.549 -11.081  -7.030
  141   HD12  LEU  16          2HD1      LEU  16   5.966 -11.614  -5.402
  142   HD13  LEU  16          3HD1      LEU  16   5.526 -12.799  -6.631
  143   HD21  LEU  16          3HD2      LEU  16   9.188 -12.164  -5.581
  144   HD22  LEU  16          1HD2      LEU  16   8.539 -13.698  -6.161
  145   HD23  LEU  16          2HD2      LEU  16   7.691 -12.802  -4.901
  Start of MODEL   19
    1    H1   LEU   1           H        LEU   1   2.437   0.261   1.445
    2    HA   LEU   1           HA       LEU   1   2.660   1.829  -1.037
    3    HB2  LEU   1           HB2      LEU   1   4.428  -0.219   0.236
    4    HB3  LEU   1           HB3      LEU   1   4.495   0.048  -1.505
    5    HG   LEU   1           HG       LEU   1   6.258   1.278  -0.399
    6   HD11  LEU   1          1HD1      LEU   1   4.467   2.315  -2.214
    7   HD12  LEU   1          2HD1      LEU   1   6.040   2.996  -1.801
    8   HD13  LEU   1          3HD1      LEU   1   4.587   3.581  -0.992
    9   HD21  LEU   1          3HD2      LEU   1   4.247   2.978   1.018
   10   HD22  LEU   1          1HD2      LEU   1   5.967   2.765   1.347
   11   HD23  LEU   1          2HD2      LEU   1   4.826   1.483   1.756
   12    H    VAL   2           H        VAL   2   2.384   0.744  -3.049
   13    HA   VAL   2           HA       VAL   2   0.925  -1.808  -2.887
   14    HB   VAL   2           HB       VAL   2   0.188   0.500  -4.692
   15   HG11  VAL   2          1HG1      VAL   2  -1.743  -0.858  -5.290
   16   HG12  VAL   2          2HG1      VAL   2  -0.243  -1.707  -5.668
   17   HG13  VAL   2          3HG1      VAL   2  -1.174  -2.153  -4.237
   18   HG21  VAL   2          3HG2      VAL   2  -1.958   0.362  -3.261
   19   HG22  VAL   2          1HG2      VAL   2  -0.932  -0.462  -2.086
   20   HG23  VAL   2          2HG2      VAL   2  -0.546   1.183  -2.594
   21    H    ARG   3           H        ARG   3   2.835   0.407  -4.862
   22    HA   ARG   3           HA       ARG   3   3.147  -1.393  -7.051
   23    HB2  ARG   3           HB2      ARG   3   3.553   1.257  -6.760
   24    HB3  ARG   3           HB3      ARG   3   5.207   0.684  -6.592
   25    HG2  ARG   3           HG2      ARG   3   4.946   1.175  -8.866
   26    HG3  ARG   3           HG3      ARG   3   4.836  -0.583  -8.757
   27    HD2  ARG   3           HD2      ARG   3   2.639  -0.616  -9.323
   28    HD3  ARG   3           HD3      ARG   3   2.301   0.920  -8.528
   29    HE   ARG   3           HE       ARG   3   2.971   0.520 -11.273
   30   HH11  ARG   3          1HH1      ARG   3   3.222   2.757  -8.617
   31   HH12  ARG   3          2HH1      ARG   3   3.343   4.154  -9.635
   32   HH21  ARG   3          1HH2      ARG   3   3.128   2.352 -12.623
   33   HH22  ARG   3          2HH2      ARG   3   3.288   3.922 -11.913
   34    H    TYR   4           H        TYR   4   5.188  -0.491  -4.294
   35    HA   TYR   4           HA       TYR   4   7.195  -2.450  -5.044
   36    HB2  TYR   4           HB2      TYR   4   7.190  -0.892  -2.474
   37    HB3  TYR   4           HB3      TYR   4   8.563  -1.506  -3.389
   38    HD1  TYR   4           HD1      TYR   4   8.448  -0.517  -5.980
   39    HD2  TYR   4           HD2      TYR   4   7.060   1.402  -2.445
   40    HE1  TYR   4           HE1      TYR   4   8.699   1.670  -7.076
   41    HE2  TYR   4           HE2      TYR   4   7.307   3.594  -3.532
   42    HH   TYR   4           HH       TYR   4   7.817   3.942  -6.876
   43    H    THR   5           H        THR   5   8.075  -3.423  -2.665
   44    HA   THR   5           HA       THR   5   6.435  -5.628  -2.209
   45    HB   THR   5           HB       THR   5   8.849  -5.567  -1.662
   46    HG1  THR   5           HG1      THR   5   8.251  -7.222  -0.497
   47   HG21  THR   5          3HG2      THR   5   8.107  -3.307  -0.144
   48   HG22  THR   5          1HG2      THR   5   9.712  -4.014  -0.318
   49   HG23  THR   5          2HG2      THR   5   8.660  -4.530   1.000
   50    H    LYS   6           H        LYS   6   5.627  -6.250   0.048
   51    HA   LYS   6           HA       LYS   6   3.594  -4.381   0.789
   52    HB2  LYS   6           HB2      LYS   6   3.543  -6.985   0.816
   53    HB3  LYS   6           HB3      LYS   6   4.285  -6.816   2.401
   54    HG2  LYS   6           HG2      LYS   6   2.094  -6.897   3.002
   55    HG3  LYS   6           HG3      LYS   6   2.277  -5.154   2.788
   56    HD2  LYS   6           HD2      LYS   6   1.448  -6.846   0.469
   57    HD3  LYS   6           HD3      LYS   6   0.259  -6.414   1.700
   58    HE2  LYS   6           HE2      LYS   6   1.275  -4.001   1.308
   59    HE3  LYS   6           HE3      LYS   6   1.688  -4.694  -0.260
   60    HZ1  LYS   6           HZ1      LYS   6  -0.428  -3.674  -0.455
   61    HZ2  LYS   6           HZ2      LYS   6  -1.014  -4.440   0.935
   62    HZ3  LYS   6           HZ3      LYS   6  -0.693  -5.345  -0.458
   63    H    LYS   7           H        LYS   7   6.805  -4.647   1.627
   64    HA   LYS   7           HA       LYS   7   6.383  -3.486   4.295
   65    HB2  LYS   7           HB2      LYS   7   8.064  -5.513   3.520
   66    HB3  LYS   7           HB3      LYS   7   9.138  -4.121   3.502
   67    HG2  LYS   7           HG2      LYS   7   9.418  -4.701   5.661
   68    HG3  LYS   7           HG3      LYS   7   7.967  -3.717   5.868
   69    HD2  LYS   7           HD2      LYS   7   7.927  -6.698   5.421
   70    HD3  LYS   7           HD3      LYS   7   7.898  -5.942   7.016
   71    HE2  LYS   7           HE2      LYS   7   5.833  -4.769   6.414
   72    HE3  LYS   7           HE3      LYS   7   5.864  -5.531   4.825
   73    HZ1  LYS   7           HZ1      LYS   7   5.811  -7.708   6.052
   74    HZ2  LYS   7           HZ2      LYS   7   4.394  -6.789   6.135
   75    HZ3  LYS   7           HZ3      LYS   7   5.453  -6.831   7.454
   76    H    VAL   8           H        VAL   8   8.472  -2.002   4.800
   77    HA   VAL   8           HA       VAL   8   8.063   0.413   3.535
   78    HB   VAL   8           HB       VAL   8  10.631  -0.505   4.837
   79   HG11  VAL   8          1HG1      VAL   8   9.573   2.291   4.438
   80   HG12  VAL   8          2HG1      VAL   8  11.106   1.834   5.184
   81   HG13  VAL   8          3HG1      VAL   8  10.839   1.545   3.464
   82   HG21  VAL   8          3HG2      VAL   8   9.104  -0.779   6.530
   83   HG22  VAL   8          1HG2      VAL   8   9.527   0.919   6.747
   84   HG23  VAL   8          2HG2      VAL   8   8.033   0.481   5.918
   85    HA   PRO   9           HA       PRO   9   9.989  -0.080  -0.416
   86    HB2  PRO   9           HB2      PRO   9  10.032   2.543  -1.114
   87    HB3  PRO   9           HB3      PRO   9   8.558   1.568  -1.136
   88    HG2  PRO   9           HG2      PRO   9   9.524   3.495   0.941
   89    HG3  PRO   9           HG3      PRO   9   7.890   3.282   0.287
   90    HD2  PRO   9           HD2      PRO   9   8.648   2.255   2.674
   91    HD3  PRO   9           HD3      PRO   9   7.454   1.459   1.629
   92    H    GLN  10           H        GLN  10  12.087  -0.551  -0.577
   93    HA   GLN  10           HA       GLN  10  14.048   1.533   0.040
   94    HB2  GLN  10           HB2      GLN  10  14.306  -1.332   0.967
   95    HB3  GLN  10           HB3      GLN  10  15.513  -0.069   1.170
   96    HG2  GLN  10           HG2      GLN  10  13.650   1.186   2.440
   97    HG3  GLN  10           HG3      GLN  10  12.879  -0.396   2.540
   98   HE21  GLN  10          1HE2      GLN  10  15.784   1.410   3.342
   99   HE22  GLN  10          2HE2      GLN  10  16.259   0.416   4.672
  100    H    VAL  11           H        VAL  11  16.357   0.303  -0.548
  101    HA   VAL  11           HA       VAL  11  16.446   0.279  -3.329
  102    HB   VAL  11           HB       VAL  11  18.435   0.662  -1.965
  103   HG11  VAL  11          1HG1      VAL  11  17.899  -1.021  -0.221
  104   HG12  VAL  11          2HG1      VAL  11  18.375  -2.290  -1.351
  105   HG13  VAL  11          3HG1      VAL  11  19.563  -1.111  -0.795
  106   HG21  VAL  11          3HG2      VAL  11  18.869  -1.795  -3.651
  107   HG22  VAL  11          1HG2      VAL  11  18.580  -0.192  -4.327
  108   HG23  VAL  11          2HG2      VAL  11  20.006  -0.486  -3.331
  109    H    SER  12           H        SER  12  15.750  -2.276  -1.081
  110    HA   SER  12           HA       SER  12  15.863  -4.274  -3.227
  111    HB2  SER  12           HB2      SER  12  15.740  -5.952  -1.456
  112    HB3  SER  12           HB3      SER  12  17.041  -4.812  -1.116
  113    HG   SER  12           HG       SER  12  15.118  -3.720   0.090
  114    H    THR  13           H        THR  13  14.009  -4.147  -4.363
  115    HA   THR  13           HA       THR  13  11.552  -4.877  -3.005
  116    HB   THR  13           HB       THR  13  10.447  -2.961  -4.513
  117    HG1  THR  13           HG1      THR  13  12.807  -2.312  -4.933
  118   HG21  THR  13          3HG2      THR  13  11.596  -2.577  -1.747
  119   HG22  THR  13          1HG2      THR  13  10.020  -3.260  -2.145
  120   HG23  THR  13          2HG2      THR  13  10.353  -1.560  -2.474
  121    HA   PRO  14           HA       PRO  14  10.715  -7.064  -6.717
  122    HB2  PRO  14           HB2      PRO  14   8.011  -6.896  -6.886
  123    HB3  PRO  14           HB3      PRO  14   8.838  -7.897  -5.687
  124    HG2  PRO  14           HG2      PRO  14   7.638  -5.172  -5.377
  125    HG3  PRO  14           HG3      PRO  14   7.548  -6.564  -4.284
  126    HD2  PRO  14           HD2      PRO  14   9.251  -4.499  -3.875
  127    HD3  PRO  14           HD3      PRO  14   9.639  -6.165  -3.400
  128    H    THR  15           H        THR  15   9.971  -6.893  -8.911
  129    HA   THR  15           HA       THR  15   9.602  -4.104  -9.795
  130    HB   THR  15           HB       THR  15  11.784  -5.014 -10.475
  131    HG1  THR  15           HG1      THR  15  11.594  -4.320 -12.564
  132   HG21  THR  15          3HG2      THR  15  10.406  -6.943 -12.299
  133   HG22  THR  15          1HG2      THR  15  10.762  -7.411 -10.637
  134   HG23  THR  15          2HG2      THR  15  12.072  -6.943 -11.722
  135    H    LEU  16           H        LEU  16   7.423  -5.743  -9.090
  136    HA   LEU  16           HA       LEU  16   6.135  -6.041 -11.717
  137    HB2  LEU  16           HB2      LEU  16   5.734  -7.870  -9.355
  138    HB3  LEU  16           HB3      LEU  16   4.911  -7.981 -10.909
  139    HG   LEU  16           HG       LEU  16   7.873  -8.379 -10.488
  140   HD11  LEU  16          1HD1      LEU  16   7.153 -10.319  -9.592
  141   HD12  LEU  16          2HD1      LEU  16   6.948 -10.771 -11.284
  142   HD13  LEU  16          3HD1      LEU  16   5.563 -10.207 -10.349
  143   HD21  LEU  16          3HD2      LEU  16   6.118  -8.230 -12.859
  144   HD22  LEU  16          1HD2      LEU  16   7.306  -9.533 -12.842
  145   HD23  LEU  16          2HD2      LEU  16   7.834  -7.858 -12.687
  Start of MODEL   20
    1    H1   LEU   1           H        LEU   1   1.763   1.517   2.528
    2    HA   LEU   1           HA       LEU   1   1.579   2.736  -0.072
    3    HB2  LEU   1           HB2      LEU   1   3.504   2.819   1.698
    4    HB3  LEU   1           HB3      LEU   1   4.022   1.329   0.911
    5    HG   LEU   1           HG       LEU   1   3.542   3.801  -0.708
    6   HD11  LEU   1          1HD1      LEU   1   6.078   3.131   0.779
    7   HD12  LEU   1          2HD1      LEU   1   5.014   4.499   1.103
    8   HD13  LEU   1          3HD1      LEU   1   5.891   4.407  -0.424
    9   HD21  LEU   1          3HD2      LEU   1   5.781   2.048  -1.329
   10   HD22  LEU   1          1HD2      LEU   1   4.471   2.625  -2.360
   11   HD23  LEU   1          2HD2      LEU   1   4.227   1.211  -1.334
   12    H    VAL   2           H        VAL   2   0.346   1.367  -1.347
   13    HA   VAL   2           HA       VAL   2   1.497  -1.292  -1.883
   14    HB   VAL   2           HB       VAL   2  -1.308  -0.377  -2.525
   15   HG11  VAL   2          1HG1      VAL   2  -1.353  -3.090  -2.354
   16   HG12  VAL   2          2HG1      VAL   2  -1.171  -2.182  -3.856
   17   HG13  VAL   2          3HG1      VAL   2   0.253  -2.810  -3.025
   18   HG21  VAL   2          3HG2      VAL   2  -0.133  -1.511  -0.056
   19   HG22  VAL   2          1HG2      VAL   2  -1.517  -0.439  -0.267
   20   HG23  VAL   2          2HG2      VAL   2  -1.685  -2.167  -0.577
   21    H    ARG   3           H        ARG   3   3.037   0.074  -3.216
   22    HA   ARG   3           HA       ARG   3   1.955   0.295  -5.940
   23    HB2  ARG   3           HB2      ARG   3   3.467   2.331  -4.374
   24    HB3  ARG   3           HB3      ARG   3   3.803   2.197  -6.095
   25    HG2  ARG   3           HG2      ARG   3   0.970   2.389  -5.213
   26    HG3  ARG   3           HG3      ARG   3   1.972   3.841  -5.179
   27    HD2  ARG   3           HD2      ARG   3   1.162   3.990  -7.306
   28    HD3  ARG   3           HD3      ARG   3   2.608   3.028  -7.610
   29    HE   ARG   3           HE       ARG   3   0.275   1.444  -7.074
   30   HH11  ARG   3          1HH1      ARG   3   2.067   3.147  -9.526
   31   HH12  ARG   3          2HH1      ARG   3   1.438   2.196 -10.831
   32   HH21  ARG   3          1HH2      ARG   3  -0.560   0.185  -8.784
   33   HH22  ARG   3          2HH2      ARG   3  -0.057   0.513 -10.407
   34    H    TYR   4           H        TYR   4   4.819  -0.062  -3.896
   35    HA   TYR   4           HA       TYR   4   6.231  -1.306  -6.155
   36    HB2  TYR   4           HB2      TYR   4   7.457  -0.432  -3.540
   37    HB3  TYR   4           HB3      TYR   4   8.282  -0.808  -5.049
   38    HD1  TYR   4           HD2      TYR   4   7.813   0.733  -7.056
   39    HD2  TYR   4           HD1      TYR   4   6.868   1.770  -3.040
   40    HE1  TYR   4           HE2      TYR   4   7.742   3.108  -7.692
   41    HE2  TYR   4           HE1      TYR   4   6.793   4.148  -3.664
   42    HH   TYR   4           HH       TYR   4   7.560   5.634  -5.347
   43    H    THR   5           H        THR   5   6.217  -1.696  -2.609
   44    HA   THR   5           HA       THR   5   5.809  -4.577  -2.973
   45    HB   THR   5           HB       THR   5   8.235  -4.260  -2.740
   46    HG1  THR   5           HG1      THR   5   8.368  -5.935  -1.401
   47   HG21  THR   5          3HG2      THR   5   9.139  -2.801  -1.316
   48   HG22  THR   5          1HG2      THR   5   8.293  -3.531   0.048
   49   HG23  THR   5          2HG2      THR   5   7.507  -2.272  -0.906
   50    H    LYS   6           H        LYS   6   4.994  -5.666  -1.105
   51    HA   LYS   6           HA       LYS   6   2.996  -4.310   0.269
   52    HB2  LYS   6           HB2      LYS   6   3.078  -6.764  -0.032
   53    HB3  LYS   6           HB3      LYS   6   4.403  -6.848   1.122
   54    HG2  LYS   6           HG2      LYS   6   2.585  -7.412   2.416
   55    HG3  LYS   6           HG3      LYS   6   2.744  -5.683   2.734
   56    HD2  LYS   6           HD2      LYS   6   0.994  -6.587   0.495
   57    HD3  LYS   6           HD3      LYS   6   0.409  -6.740   2.153
   58    HE2  LYS   6           HE2      LYS   6   1.279  -4.234   2.279
   59    HE3  LYS   6           HE3      LYS   6   0.974  -4.308   0.544
   60    HZ1  LYS   6           HZ1      LYS   6  -0.974  -3.516   1.665
   61    HZ2  LYS   6           HZ2      LYS   6  -0.987  -4.847   2.707
   62    HZ3  LYS   6           HZ3      LYS   6  -1.298  -5.062   1.059
   63    H    LYS   7           H        LYS   7   6.366  -4.705   1.025
   64    HA   LYS   7           HA       LYS   7   5.964  -3.505   3.674
   65    HB2  LYS   7           HB2      LYS   7   7.515  -5.625   2.950
   66    HB3  LYS   7           HB3      LYS   7   8.685  -4.314   2.877
   67    HG2  LYS   7           HG2      LYS   7   8.947  -4.512   5.064
   68    HG3  LYS   7           HG3      LYS   7   7.291  -3.937   5.270
   69    HD2  LYS   7           HD2      LYS   7   7.846  -6.823   4.683
   70    HD3  LYS   7           HD3      LYS   7   7.979  -6.198   6.328
   71    HE2  LYS   7           HE2      LYS   7   5.530  -5.826   4.619
   72    HE3  LYS   7           HE3      LYS   7   5.748  -7.203   5.697
   73    HZ1  LYS   7           HZ1      LYS   7   5.642  -5.868   7.562
   74    HZ2  LYS   7           HZ2      LYS   7   4.492  -5.151   6.551
   75    HZ3  LYS   7           HZ3      LYS   7   6.023  -4.452   6.718
   76    H    VAL   8           H        VAL   8   8.325  -2.269   4.126
   77    HA   VAL   8           HA       VAL   8   8.017   0.236   2.957
   78    HB   VAL   8           HB       VAL   8  10.539  -0.905   4.171
   79   HG11  VAL   8          1HG1      VAL   8   9.683   1.970   3.855
   80   HG12  VAL   8          2HG1      VAL   8  11.189   1.388   4.567
   81   HG13  VAL   8          3HG1      VAL   8  10.877   1.154   2.846
   82   HG21  VAL   8          3HG2      VAL   8   9.360   0.771   6.016
   83   HG22  VAL   8          1HG2      VAL   8   7.992  -0.098   5.319
   84   HG23  VAL   8          2HG2      VAL   8   9.328  -0.992   6.046
   85    HA   PRO   9           HA       PRO   9   9.802  -0.308  -1.053
   86    HB2  PRO   9           HB2      PRO   9  10.016   2.320  -1.699
   87    HB3  PRO   9           HB3      PRO   9   8.476   1.452  -1.702
   88    HG2  PRO   9           HG2      PRO   9   9.626   3.260   0.388
   89    HG3  PRO   9           HG3      PRO   9   7.966   3.177  -0.228
   90    HD2  PRO   9           HD2      PRO   9   8.707   2.046   2.118
   91    HD3  PRO   9           HD3      PRO   9   7.435   1.360   1.087
   92    H    GLN  10           H        GLN  10  11.854  -1.083  -0.894
   93    HA   GLN  10           HA       GLN  10  13.981   0.901  -0.464
   94    HB2  GLN  10           HB2      GLN  10  14.118  -1.958   0.497
   95    HB3  GLN  10           HB3      GLN  10  15.294  -0.682   0.783
   96    HG2  GLN  10           HG2      GLN  10  13.351   0.533   1.963
   97    HG3  GLN  10           HG3      GLN  10  12.588  -1.055   1.993
   98   HE21  GLN  10          1HE2      GLN  10  14.406   1.017   3.734
   99   HE22  GLN  10          2HE2      GLN  10  15.206  -0.095   4.787
  100    H    VAL  11           H        VAL  11  16.177  -0.570  -0.999
  101    HA   VAL  11           HA       VAL  11  16.338  -0.625  -3.755
  102    HB   VAL  11           HB       VAL  11  17.996  -2.276  -1.843
  103   HG11  VAL  11          1HG1      VAL  11  18.679  -3.123  -3.836
  104   HG12  VAL  11          2HG1      VAL  11  18.179  -1.693  -4.741
  105   HG13  VAL  11          3HG1      VAL  11  19.682  -1.673  -3.817
  106   HG21  VAL  11          3HG2      VAL  11  18.578  -0.263  -1.039
  107   HG22  VAL  11          1HG2      VAL  11  19.505  -0.112  -2.531
  108   HG23  VAL  11          2HG2      VAL  11  17.892   0.594  -2.419
  109    H    SER  12           H        SER  12  15.281  -3.123  -1.556
  110    HA   SER  12           HA       SER  12  15.176  -5.102  -3.699
  111    HB2  SER  12           HB2      SER  12  16.021  -5.884  -1.559
  112    HB3  SER  12           HB3      SER  12  14.563  -5.322  -0.742
  113    HG   SER  12           HG       SER  12  14.878  -7.483  -2.525
  114    H    THR  13           H        THR  13  13.373  -5.627  -4.761
  115    HA   THR  13           HA       THR  13  10.755  -5.249  -3.620
  116    HB   THR  13           HB       THR  13  10.166  -3.907  -5.857
  117    HG1  THR  13           HG1      THR  13  11.846  -2.357  -6.213
  118   HG21  THR  13          3HG2      THR  13  10.420  -3.304  -3.121
  119   HG22  THR  13          1HG2      THR  13   9.487  -2.429  -4.334
  120   HG23  THR  13          2HG2      THR  13  11.152  -1.959  -3.994
  121    HA   PRO  14           HA       PRO  14   9.697  -8.525  -6.342
  122    HB2  PRO  14           HB2      PRO  14   7.104  -7.972  -6.927
  123    HB3  PRO  14           HB3      PRO  14   7.628  -8.555  -5.342
  124    HG2  PRO  14           HG2      PRO  14   7.016  -5.761  -6.225
  125    HG3  PRO  14           HG3      PRO  14   6.569  -6.581  -4.718
  126    HD2  PRO  14           HD2      PRO  14   8.642  -4.847  -4.873
  127    HD3  PRO  14           HD3      PRO  14   8.641  -6.237  -3.768
  128    H    THR  15           H        THR  15   8.459  -8.925  -8.516
  129    HA   THR  15           HA       THR  15   8.668  -8.733 -10.785
  130    HB   THR  15           HB       THR  15   8.043  -6.299 -11.577
  131    HG1  THR  15           HG1      THR  15   6.666  -5.448  -9.729
  132   HG21  THR  15          3HG2      THR  15   5.658  -6.820 -11.185
  133   HG22  THR  15          1HG2      THR  15   6.140  -8.104 -10.078
  134   HG23  THR  15          2HG2      THR  15   6.561  -8.209 -11.787
  135    H    LEU  16           H        LEU  16  10.948  -9.086 -10.836
  136    HA   LEU  16           HA       LEU  16  12.442  -6.684 -11.635
  137    HB2  LEU  16           HB2      LEU  16  13.161  -7.246  -9.402
  138    HB3  LEU  16           HB3      LEU  16  13.422  -8.924  -9.874
  139    HG   LEU  16           HG       LEU  16  15.237  -8.136 -11.397
  140   HD11  LEU  16          1HD1      LEU  16  14.950  -5.523  -9.927
  141   HD12  LEU  16          2HD1      LEU  16  14.383  -5.800 -11.574
  142   HD13  LEU  16          3HD1      LEU  16  16.103  -5.919 -11.202
  143   HD21  LEU  16          3HD2      LEU  16  15.890  -7.187  -8.647
  144   HD22  LEU  16          1HD2      LEU  16  16.824  -8.209  -9.739
  145   HD23  LEU  16          2HD2      LEU  16  15.428  -8.872  -8.890