*HEADER    STRUCTURAL PROTEIN                      11-JUL-06   2HM5              
*TITLE     NW1, K21P, STRUCTURAL SPECIES II                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEMATOCYST OUTER WALL ANTIGEN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NW1;                                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HYDRA VULGARIS;                                 
*SOURCE   3 GENE: NOWA;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    MOLECULAR EVOLUTION, NEMATOCYST, BRIDGE STATE, CYSTEINE RICH          
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.MEIER, P.R.JENSEN, S.GRZESIEK, S.OEZBEK                             
*REVDAT   1   06-FEB-07 2HM5    0                                                


assign (resid   3   and name  HN)  (resid      3   and name  HB2 )    3.15889  0.407667  0.543556
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assign (resid   3   and name  HN)  (resid      3   and name  HG# )    3.57635  0.532905  0.71054
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assign (resid   4   and name  HN)  (resid      4   and name  HG1# )    3.05743  0.677229  0.802972
assign (resid   4   and name  HN)  (resid      4   and name  HD# )    3.04774  0.374322  0.499096
assign (resid   4   and name  HN)  (resid      4   and name  HG2# )    2.96316  0.548948  0.765264
assign (resid   4   and name  HN)  (resid      4   and name  HB )    2.63812  0.551436  0.635248
assign (resid   4   and name  HN)  (resid      3   and name  HB# )    3.49514  0.508542  0.678056
assign (resid   5   and name  HN)  (resid      4   and name  HB# )    3.32824  0.458472  0.611296
assign (resid   5   and name  HN)  (resid      4   and name  HD# )    2.96711  0.350133  0.466844
assign (resid   5   and name  HN)  (resid      5   and name  HG2# )    2.92195  0.336585  0.44878
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assign (resid   6   and name  HN)  (resid      5   and name  HG2# )    3.11773  0.395319  0.927092
assign (resid   6   and name  HN)  (resid      5   and name  HB# )    3.03826  0.371478  0.495304
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assign (resid   7   and name  HN)  (resid      7   and name  HG2# )    2.79549  0.398647  1.298196
assign (resid   7   and name  HN)  (resid      7   and name  HA )    2.7163  0.27489  0.36652
assign (resid   7   and name  HN)  (resid      8   and name  HN )    2.7163  0.27489  0.36652
assign (resid   7   and name  HN)  (resid      7   and name  HB )    2.36096  0.368288  0.824384
assign (resid   8   and name  HA)  (resid      9   and name  HG# )    3.37482  0.472446  0.629928
assign (resid   8   and name  HB#)  (resid      9   and name  HD1 )    3.34175  0.462525  0.6167
assign (resid   8   and name  HB#)  (resid      9   and name  HD2 )    3.15889  0.407667  0.543556
assign (resid   8   and name  HN)  (resid      7   and name  HB )    2.14182  0.102546  0.136728
assign (resid   8   and name  HA)  (resid      9   and name  HD1 )    2.87638  0.322914  0.430552
assign (resid   8   and name  HN)  (resid      7   and name  HG2# )    2.817  0.3051  0.4068
assign (resid   8   and name  HN)  (resid      8   and name  HB1 )    2.69042  0.307126  0.656168
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assign (resid   8   and name  HN)  (resid      7   and name  HN )    2.65235  0.255705  0.34094
assign (resid   8   and name  HA)  (resid      24   and name  HB# )    3.88782  0.626346  0.835128
assign (resid   8   and name  HN)  (resid      7   and name  HA )    2.64695  0.254085  0.73878
assign (resid   8   and name  HN)  (resid      8   and name  HA )    2.58156  0.234468  0.312624
assign (resid   8   and name  HA)  (resid      12   and name  HB# )    3.7881  0.59643  0.79524
assign (resid   8   and name  HN)  (resid      8   and name  HB2 )    2.47678  0.203034  0.270712
assign (resid   10   and name  HN)  (resid      9   and name  HG# )    3.18097  0.414291  0.652388
assign (resid   10   and name  HN)  (resid      10   and name  HA )    2.11098  0.093294  0.524392
assign (resid   10   and name  HN)  (resid      9   and name  HA )    2.05591  0.076773  0.302364
assign (resid   10   and name  HN)  (resid      9   and name  HB# )    2.92554  0.637662  0.550216
assign (resid   10   and name  HN)  (resid      10   and name  HB# )    2.42282  0.186846  0.249128
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assign (resid   11   and name  HN)  (resid      9   and name  HB1 )    4.6366  0.85098  1.13464
assign (resid   11   and name  HN)  (resid      10   and name  HA )    2.817  0.3051  0.5068
assign (resid   11   and name  HN)  (resid      12   and name  HN )    2.59608  0.238824  0.318432
assign (resid   11   and name  HN)  (resid      11   and name  HA1 )    2.58837  0.236511  0.315348
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assign (resid   11   and name  HN)  (resid      13   and name  HN )    3.54573  0.523719  0.698292
assign (resid   12   and name  HN)  (resid      11   and name  HA2 )    3.24321  0.432963  0.577284
assign (resid   12   and name  HN)  (resid      10   and name  HB# )    3.10938  0.392814  1.223752
assign (resid   12   and name  HN)  (resid      11   and name  HA1 )    3.10663  0.391989  0.522652
assign (resid   12   and name  HN)  (resid      12   and name  HB1 )    2.90448  0.331344  0.441792
assign (resid   12   and name  HB1)  (resid      20   and name  HB1 )    2.80209  0.300627  0.400836
assign (resid   12   and name  HN)  (resid      12   and name  HA )    2.70783  0.272349  0.363132
assign (resid   12   and name  HN)  (resid      9   and name  HD2 )    3.8865  0.62595  0.8346
assign (resid   12   and name  HN)  (resid      12   and name  HB2 )    2.48934  0.206802  0.275736
assign (resid   12   and name  HN)  (resid      13   and name  HN )    2.47678  0.203034  0.270712
assign (resid   12   and name  HN)  (resid      10   and name  HA )    3.59963  0.539889  0.719852
assign (resid   12   and name  HN)  (resid      9   and name  HG2 )    3.59428  0.538284  0.717712
assign (resid   12   and name  HN)  (resid      9   and name  HB2 )    3.51295  0.513885  0.68518
assign (resid   12   and name  HB#)  (resid      9   and name  HD# )    3.47193  0.501579  0.668772
assign (resid   13   and name  HN)  (resid      12   and name  HB2 )    3.11773  0.395319  0.527092
assign (resid   13   and name  HN)  (resid      12   and name  HA )    3.02442  0.367326  0.489768
assign (resid   13   and name  HN)  (resid      14   and name  HN )    2.6757  0.16271  0.25028
assign (resid   13   and name  HN)  (resid      10   and name  HA )    2.64163  0.252489  0.336652
assign (resid   13   and name  HN)  (resid      13   and name  HB# )    2.56115  0.228345  0.30446
assign (resid   13   and name  HN)  (resid      13   and name  HA )    2.50844  0.212532  0.283376
assign (resid   14   and name  HN)  (resid      26   and name  HN )    3.36995  0.470985  1.62798
assign (resid   14   and name  HN)  (resid      10   and name  HB# )    3.31082  0.453246  0.94328
assign (resid   14   and name  HN)  (resid      10   and name  HA )    3.2899  0.44697  0.59596
assign (resid   14   and name  HN)  (resid      13   and name  HA )    2.71098  0.273294  0.664392
assign (resid   14   and name  HN)  (resid      14   and name  HA2 )    2.64517  0.253551  0.338068
assign (resid   14   and name  HN)  (resid      14   and name  HA1 )    2.60716  0.342148  0.322864
assign (resid   15   and name  HN)  (resid      14   and name  HA2 )    3.18421  0.215263  0.453684
assign (resid   15   and name  HN)  (resid      16   and name  HN )    3.11215  0.293645  1.02486
assign (resid   15   and name  HN)  (resid      15   and name  HA )    2.78009  0.294027  0.392036
assign (resid   15   and name  HN)  (resid      14   and name  HA1 )    2.70159  0.270477  0.360636
assign (resid   15   and name  HN)  (resid      15   and name  HB# )    2.64251  0.252753  0.337004
assign (resid   15   and name  HN)  (resid      16   and name  HB# )    3.78156  0.594468  1.692624
assign (resid   15   and name  HN)  (resid      14   and name  HN )    2.55552  0.226656  0.302208
assign (resid   15   and name  HN)  (resid      12   and name  HA )    3.60194  0.340582  0.520776
assign (resid   16   and name  HN)  (resid      15   and name  HA )    2.18531  0.115593  0.204124
assign (resid   16   and name  HN)  (resid      15   and name  HB1 )    3.08524  0.285572  0.414096
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assign (resid   16   and name  HN)  (resid      16   and name  HB2 )    2.64785  0.254355  0.53914
assign (resid   16   and name  HN)  (resid      12   and name  HA )    3.79362  0.598086  0.997448
assign (resid   16   and name  HN)  (resid      16   and name  HB1 )    2.48934  0.206802  0.275736
assign (resid   16   and name  HN)  (resid      16   and name  HA )    2.46901  0.100703  0.467604
assign (resid   16   and name  HA)  (resid      25   and name  HB# )    3.45782  0.697346  0.663128
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assign (resid   17   and name  HD#)  (resid      18   and name  HD# )    3.42638  0.487914  0.650552
assign (resid   17   and name  HN)  (resid      16   and name  HA )    2.33437  0.160311  0.213748
assign (resid   17   and name  HE#)  (resid      15   and name  HB# )    3.3327  0.45981  0.61308
assign (resid   17   and name  HE#)  (resid      19   and name  HB1 )    3.26597  0.439791  0.586388
assign (resid   17   and name  HD#)  (resid      18   and name  HD2 )    3.22506  0.427518  0.870024
assign (resid   17   and name  HN)  (resid      16   and name  HB# )    3.16509  0.409527  1.146036
assign (resid   17   and name  HB2)  (resid      18   and name  HD1 )    3.11773  0.395319  0.527092
assign (resid   17   and name  HE#)  (resid      11   and name  HA1 )    3.09581  0.388743  0.818324
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assign (resid   17   and name  HN)  (resid      17   and name  HB2 )    3.02215  0.366645  0.48886
assign (resid   17   and name  HB1)  (resid      18   and name  HD1 )    2.96316  0.348948  0.465264
assign (resid   17   and name  HE#)  (resid      19   and name  HB2 )    2.89939  0.429817  0.839756
assign (resid   17   and name  HN)  (resid      17   and name  HB1 )    2.87479  0.322437  0.329916
assign (resid   17   and name  HB1)  (resid      18   and name  HD2 )    2.83827  0.311481  0.515308
assign (resid   17   and name  HB2)  (resid      18   and name  HD2 )    2.77509  0.592527  0.390036
assign (resid   17   and name  HD#)  (resid      11   and name  HA1 )    3.72206  0.576618  0.768824
assign (resid   17   and name  HE#)  (resid      11   and name  HA2 )    3.71148  0.573444  0.764592
assign (resid   17   and name  HE#)  (resid      12   and name  HA )    3.63541  0.550623  0.734164
assign (resid   17   and name  HN)  (resid      18   and name  HD# )    3.57856  0.533568  0.711424
assign (resid   17   and name  HN)  (resid      16   and name  HN )    3.5136  0.51408  0.68544
assign (resid   17   and name  HD#)  (resid      15   and name  HB# )    3.45956  0.497868  0.663824
assign (resid   19   and name  HN)  (resid      17   and name  HB2 )    3.29401  0.448203  0.597604
assign (resid   19   and name  HN)  (resid      17   and name  HB1 )    3.14375  0.403125  1.5375
assign (resid   19   and name  HN)  (resid      19   and name  HA )    2.14182  0.102546  0.736728
assign (resid   19   and name  HN)  (resid      18   and name  HA )    2.96711  0.350133  0.566844
assign (resid   19   and name  HN)  (resid      19   and name  HG# )    2.9062  0.33186  0.44248
assign (resid   19   and name  HN)  (resid      19   and name  HB2 )    2.67378  0.262134  0.549512
assign (resid   19   and name  HN)  (resid      17   and name  HD# )    2.46249  0.198747  0.264996
assign (resid   19   and name  HN)  (resid      20   and name  HN )    2.45768  0.197304  0.263072
assign (resid   19   and name  HN)  (resid      19   and name  HG2 )    2.45293  0.195879  0.261172
assign (resid   19   and name  HN)  (resid      17   and name  HE# )    3.59657  0.538971  0.718628
assign (resid   20   and name  HN)  (resid      19   and name  HB1 )    3.43738  0.491214  0.654952
assign (resid   20   and name  HN)  (resid      17   and name  HD# )    3.22151  0.426453  0.568604
assign (resid   20   and name  HN)  (resid      18   and name  HA )    3.09049  0.387147  0.516196
assign (resid   20   and name  HN)  (resid      19   and name  HA )    3.01543  0.364629  0.486172
assign (resid   20   and name  HN)  (resid      20   and name  HB1 )    2.87004  0.321012  0.628016
assign (resid   20   and name  HN)  (resid      21   and name  HD# )    4.09748  0.389244  0.718992
assign (resid   20   and name  HA)  (resid      21   and name  HD1 )    2.69954  0.169862  0.159816
assign (resid   20   and name  HN)  (resid      20   and name  HA )    2.65144  0.255432  0.340576
assign (resid   20   and name  HN)  (resid      19   and name  HB2 )    3.63377  0.550131  0.733508
assign (resid   20   and name  HN)  (resid      17   and name  HN )    3.50396  0.511188  0.881584
assign (resid   20   and name  HN)  (resid      20   and name  HB2 )    2.37032  0.171096  0.228128
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assign (resid   23   and name  HN)  (resid      22   and name  HA )    2.29592  0.148776  0.198368
assign (resid   23   and name  HN)  (resid      22   and name  HB# )    3.11493  0.394479  0.925972
assign (resid   23   and name  HN)  (resid      23   and name  HA2 )    2.66338  0.259014  0.345352
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assign (resid   23   and name  HN)  (resid      23   and name  HA1 )    2.58006  0.234018  0.312024
assign (resid   23   and name  HN)  (resid      22   and name  HG# )    3.66331  0.558993  0.745324
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assign (resid   24   and name  HN)  (resid      24   and name  HA )    2.57267  0.231801  0.309068
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assign (resid   25   and name  HN)  (resid      25   and name  HB2 )    3.36513  0.469539  0.626052
assign (resid   25   and name  HN)  (resid      25   and name  HA )    2.97716  0.253148  0.270864
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assign (resid   24   and name  HN)  (resid      22   and name  HB# )    3.3372  0.46116  1.11488
assign (resid   25   and name  HN)  (resid      20   and name  HB1 )    4.11486  0.694458  0.925944
assign (resid   25   and name  HB2)  (resid      16   and name  HB2 )    2.78009  0.394027  0.702036
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assign (resid   25   and name  HN)  (resid      24   and name  HB1 )    3.60426  0.541278  0.321704
assign (resid   25   and name  HN)  (resid      24   and name  HA )    3.56474  0.229422  0.205896
assign (resid   25   and name  HA)  (resid      25   and name  HB1 )    2.73456  0.35  0.20452
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assign (resid   25   and name  HN)  (resid      25   and name  HB1 )    2.6563  0.2023  0.257321
assign (resid   25   and name  HN)  (resid      25   and name  HB2 )    2.9804  0.20 0.45
assign (resid   26   and name  HN)  (resid      25   and name  HB1 )    3.11773  0.395319  0.727092
assign (resid   26   and name  HN)  (resid      26   and name  HA# )    2.08976  0.086928  0.315904
assign (resid   26   and name  HN)  (resid      25   and name  HB2 )    2.86535  0.319605  0.72614
assign (resid   26   and name  HN)  (resid      27   and name  HN )    2.72605  0.277815  0.57042
assign (resid   26   and name  HN)  (resid      25   and name  HA )    2.37909  0.273727  0.131636
assign (resid   27   and name  HN)  (resid      26   and name  HA# )    2.1459  0.20377  0.23836
assign (resid   27   and name  HN)  (resid      25   and name  HA )    3.80824  0.602472  0.803296
assign (resid   27   and name  HN)  (resid      27   and name  HB# )    2.48358  0.205074  0.273432
assign (resid   28   and name  HN)  (resid      26   and name  HA# )    3.36995  0.470985  0.92798
assign (resid   28   and name  HN)  (resid      27   and name  HA )    2.27983  0.143949  0.891932
assign (resid   28   and name  HN)  (resid      29   and name  HN )    3.02215  0.366645  0.48886
assign (resid   28   and name  HN)  (resid      28   and name  HB )    2.77758  0.293274  0.391032
assign (resid   28   and name  HN)  (resid      27   and name  HG# )    2.77758  0.293274  0.391032
assign (resid   28   and name  HN)  (resid      28   and name  HG## )    2.58457  0.235371  0.313828
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assign (resid   29   and name  HN)  (resid      29   and name  HB2 )    2.86847  0.320541  0.427388
assign (resid   30   and name  HN)  (resid      29   and name  HB2 )    3.91204  0.633612  0.844816
assign (resid   30   and name  HN)  (resid      29   and name  HB1 )    3.71435  0.574305  0.76574
assign (resid   30   and name  HN)  (resid      30   and name  HB# )    2.52282  0.216846  0.289128
assign (resid   30   and name  HN)  (resid      29   and name  HA )    2.39159  0.177477  0.236636
assign (resid   31   and name  HN)  (resid      30   and name  HN )    2.96119  0.348357  0.464476
assign ( resid  17  and name O   )
       ( resid  20  and name HN  ) 2.0 0.3 0.4
assign ( resid  17  and name O   )
       ( resid  20  and name N   ) 3.0 0.7 0.5
assign ( resid  15  and name O   )
       ( resid  17  and name HN  ) 2.0 0.3 0.4
assign ( resid  15  and name O   )
       ( resid  17  and name N   ) 3.0 0.7 0.5
assign ( resid  9  and name O   )
       ( resid  12  and name HN  ) 2.0 0.3 0.4
assign ( resid  9  and name O   )
       ( resid  12  and name N   ) 3.0 0.7 0.5
assign ( resid  10  and name O   )
       ( resid  13  and name HN  ) 2.0 0.3 0.4
assign ( resid  10  and name O   )
       ( resid  13  and name N   ) 3.0 0.7 0.5
assign ( resid  10  and name O   )
       ( resid  14  and name HN  ) 2.0 0.3 0.4
assign ( resid  10  and name O   )
       ( resid  14  and name N   ) 3.0 0.7 0.5
assign ( resid  21  and name O   )
       ( resid  24  and name HN  ) 2.0 0.3 0.4
assign ( resid  21  and name O   )
       ( resid  24  and name N   ) 3.0 0.7 0.5
{                                  
assign (resid   1  and name C ) (resid   2 and name N)
       (resid   2  and name CA) (resid   2 and name C)  6.6690  0.4000
                                  
assign (resid   2  and name C ) (resid   3 and name N)
       (resid   3  and name CA) (resid   3 and name C)  6.4217  0.4000
                                  
assign (resid   3  and name C ) (resid   4 and name N)
       (resid   4  and name CA) (resid   4 and name C)  6.8831  0.4000
                                  
assign (resid   4  and name C ) (resid   5 and name N)
       (resid   5  and name CA) (resid   5 and name C)  7.0775  0.4000
}                                  
assign (resid   6  and name C ) (resid   7 and name N)
       (resid   7  and name CA) (resid   7 and name C)  7.5759  0.4000
                                  
assign (resid   7  and name C ) (resid   8 and name N)
       (resid   8  and name CA) (resid   8 and name C)  6.0907  0.4000
                                  
assign (resid   9  and name C ) (resid  10 and name N)
       (resid  10  and name CA) (resid  10 and name C)  3.1070  0.4000
                                                                    
assign (resid  11  and name C ) (resid  12 and name N)
       (resid  12  and name CA) (resid  12 and name C)  5.7168  0.4000
                                  
assign (resid  12  and name C ) (resid  13 and name N)
       (resid  13  and name CA) (resid  13 and name C)  5.1944  0.4000
                                  
assign (resid  14  and name C ) (resid  15 and name N)
       (resid  15  and name CA) (resid  15 and name C)  7.1849  0.4000
                                  
assign (resid  15  and name C ) (resid  16 and name N)
       (resid  16  and name CA) (resid  16 and name C)  6.0965  0.4000
                                  
assign (resid  16  and name C ) (resid  17 and name N)
       (resid  17  and name CA) (resid  17 and name C)  5.8773  0.4000
                                  
assign (resid  18  and name C ) (resid  19 and name N)
       (resid  19  and name CA) (resid  19 and name C)  6.0695  0.4000
                                  
assign (resid  19  and name C ) (resid  20 and name N)
       (resid  20  and name CA) (resid  20 and name C)  4.9351  0.4000
                                  
assign (resid  23  and name C ) (resid  24 and name N)
       (resid  24  and name CA) (resid  24 and name C)  7.2803  0.4000
                                  
assign (resid  24  and name C ) (resid  25 and name N)
       (resid  25  and name CA) (resid  25 and name C)  8.1198  0.4000
{                                  
assign (resid  26  and name C ) (resid  27 and name N)
       (resid  27  and name CA) (resid  27 and name C)  6.5996  0.4000
                                  
assign (resid  27  and name C ) (resid  28 and name N)
       (resid  28  and name CA) (resid  28 and name C)  6.7343  0.4000
                                  
assign (resid  28  and name C ) (resid  29 and name N)
       (resid  29  and name CA) (resid  29 and name C)  6.9813  0.4000
                                  
assign (resid  29  and name C ) (resid  30 and name N)
       (resid  30  and name CA) (resid  30 and name C)  7.1130  0.4000
                                  
assign (resid  30  and name C ) (resid  31 and name N)
       (resid  31  and name CA) (resid  31 and name C)  7.8916  0.4000
}
assign (resid 14 and name ha1) (resid 14 and name ca)
       (resid 14 and name n ) (resid 14 and name hn)
       (resid 14 and name ha2) (resid 14 and name ca)
       (resid 14 and name n ) (resid 14 and name hn)
   4.3 1.0
   6.0 1.0

assign (resid 11 and name ha1) (resid 11 and name ca)
       (resid 11 and name n ) (resid 11 and name hn)
       (resid 11 and name ha2) (resid 11 and name ca)
       (resid 11 and name n ) (resid 11 and name hn)
   4.6 1.0
   6.9 1.0

assign (resid 23 and name ha1) (resid 23 and name ca)
       (resid 23 and name n ) (resid 23 and name hn)
       (resid 23 and name ha2) (resid 23 and name ca)
       (resid 23 and name n ) (resid 23 and name hn)
   6.3 1.0
   3.9 1.0
{                                  
assign ( resid   3  and name N   )
       ( resid   3  and name HN  )  -0.818   0.500
                                  
assign ( resid   4  and name N   )
       ( resid   4  and name HN  )   0.368   0.500
                                  
assign ( resid   5  and name N   )
       ( resid   5  and name HN  )  -0.342   0.500
}                                  
assign ( resid   6  and name N   )
       ( resid   6  and name HN  )   0.025   0.500
                                  
assign ( resid   7  and name N   )
       ( resid   7  and name HN  )   1.526   0.500
                                  
assign ( resid   8  and name N   )
       ( resid   8  and name HN  )   3.210   0.500
                                  
assign ( resid  10  and name N   )
       ( resid  10  and name HN  )  -1.636   0.500
                                  
assign ( resid  11  and name N   )
       ( resid  11  and name HN  )   1.186   0.500
                                  
assign ( resid  12  and name N   )
       ( resid  12  and name HN  )  -8.642   0.500
                                  
assign ( resid  13  and name N   )
       ( resid  13  and name HN  )  -5.761   0.500
                                  
assign ( resid  14  and name N   )
       ( resid  14  and name HN  )   1.178   0.500
                                  
assign ( resid  15  and name N   )
       ( resid  15  and name HN  )  -7.488   0.500
                                  
assign ( resid  16  and name N   )
       ( resid  16  and name HN  )  -3.390   0.500
                                  
assign ( resid  17  and name N   )
       ( resid  17  and name HN  )  -7.901   0.500
                                  
assign ( resid  19  and name N   )
       ( resid  19  and name HN  )  -3.005   0.500
                                  
assign ( resid  20  and name N   )
       ( resid  20  and name HN  ) -10.690   0.500
                                  
assign ( resid  23  and name N   )
       ( resid  23  and name HN  )  -5.689   0.500
                                  
assign ( resid  24  and name N   )
       ( resid  24  and name HN  )   6.201   0.500
                                  
assign ( resid  25  and name N   )
       ( resid  25  and name HN  )  -4.921   0.500
                                  
assign ( resid  26  and name N   )
       ( resid  26  and name HN  )  -4.889   0.500
{                                  
assign ( resid  27  and name N   )
       ( resid  27  and name HN  )  -4.290   0.500
                                  
assign ( resid  28  and name N   )
       ( resid  28  and name HN  )  -4.335   0.500
                                  
assign ( resid  29  and name N   )
       ( resid  29  and name HN  )  -5.250   0.500
                                  
assign ( resid  30  and name N   )
       ( resid  30  and name HN  )  -4.237   0.500
                                  
assign ( resid  31  and name N   )
       ( resid  31  and name HN  )  -0.870   0.500
}
assign ( resid  18  and name C   )
       ( resid  19  and name N   )
       ( resid  19  and name CA  )
       ( resid  19  and name C   )   1.0  -100   30.00     2
assign ( resid  19  and name N   )
       ( resid  19  and name CA  )
       ( resid  19  and name C   )
       ( resid  20  and name N   )   1.0  0   25.91     2
assign ( resid  20  and name N   )
       ( resid  20  and name CA  )
       ( resid  20  and name C   )
       ( resid  21  and name N   )   2.0  140   15     2
assign ( resid  14  and name C   )
       ( resid  15  and name N   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )   3.0  -100 25.00     2
assign ( resid  7  and name C   )  
       ( resid  8  and name N   )
       ( resid  8  and name CA  )
       ( resid  8  and name C   )   1.0  -100.55   30.52     2
assign ( resid  8  and name N   )
       ( resid  8  and name CA  )
       ( resid  8  and name C   )
       ( resid  9  and name N   )   1.0  135   25.91      2
assign ( resid  15  and name N   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )
       ( resid  16  and name N   )   2.0  130  25     2
assign ( resid  22  and name C   )  
       ( resid  23  and name N   )
       ( resid  23  and name CA  )
       ( resid  23  and name C   )   2.0  80   20.52     2
assign ( resid  22  and name N   )
       ( resid  22  and name CA  )
       ( resid  22  and name C   )
       ( resid  23  and name N   )   2.0  120  20     2
assign ( resid  25  and name N   )
       ( resid  25  and name CA  )
       ( resid  25  and name C   )
       ( resid  26  and name N   )   2.0  130  20     2
assign (resid 8 and name    N)    (resid 8 and name   CA)
       (resid 8 and name   CB)    (resid 8 and name   SG)     3.0   -60.0     15.0   2
assign (resid 16 and name    N)    (resid 16 and name   CA)
       (resid 16 and name   CB)    (resid 16 and name   SG)     3.0   180.0     15.0   2
assign (resid 25 and name    N)    (resid 25 and name   CA)
       (resid 25 and name   CB)    (resid 25 and name   SG)     3.0   60.0     15.0   2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  17.793  12.453   2.046
    2   2H    GLY   1          2HT       GLY   1  19.271  11.756   1.613
    3   3H    GLY   1          3HT       GLY   1  18.526  11.324   3.069
    4   1HA   GLY   1          1HA       GLY   1  17.233   9.803   2.119
    5   2HA   GLY   1          2HA       GLY   1  16.814  10.903   0.816
    6    H    SER   2           H        SER   2  17.652   7.983   0.966
    7    HA   SER   2           HA       SER   2  19.648   8.155  -1.184
    8   1HB   SER   2          2HB       SER   2  19.686   6.273   1.181
    9   2HB   SER   2          1HB       SER   2  20.644   6.011  -0.277
   10    HG   SER   2           HG       SER   2  21.823   7.123   1.339
   11    H    GLN   3           H        GLN   3  17.237   6.113   0.434
   12    HA   GLN   3           HA       GLN   3  16.856   4.606  -2.045
   13   1HB   GLN   3          2HB       GLN   3  17.087   3.336   0.060
   14   2HB   GLN   3          1HB       GLN   3  15.657   4.136   0.696
   15   1HG   GLN   3          2HG       GLN   3  15.247   1.848  -0.149
   16   2HG   GLN   3          1HG       GLN   3  14.259   3.085  -0.922
   17   1HE2  GLN   3          1HE2      GLN   3  13.882   1.983  -2.793
   18   2HE2  GLN   3          2HE2      GLN   3  15.111   1.611  -3.948
   19    H    ILE   4           H        ILE   4  15.348   7.043  -0.098
   20    HA   ILE   4           HA       ILE   4  13.323   8.058  -0.153
   21    HB   ILE   4           HB       ILE   4  14.763   8.756  -2.223
   22   1HG1  ILE   4          2HG1      ILE   4  12.399  10.009  -2.888
   23   2HG1  ILE   4          1HG1      ILE   4  12.131   9.492  -1.226
   24   1HG2  ILE   4          1HG2      ILE   4  12.388   7.480  -3.573
   25   2HG2  ILE   4          2HG2      ILE   4  14.077   7.008  -3.738
   26   3HG2  ILE   4          3HG2      ILE   4  13.534   8.573  -4.343
   27   1HD1  ILE   4          1HD1      ILE   4  14.218  10.603  -0.574
   28   2HD1  ILE   4          2HD1      ILE   4  13.016  11.710  -1.237
   29   3HD1  ILE   4          3HD1      ILE   4  14.385  11.201  -2.225
   30    H    THR   5           H        THR   5  11.242   8.098  -1.992
   31    HA   THR   5           HA       THR   5  10.201   5.348  -1.820
   32    HB   THR   5           HB       THR   5   7.961   6.373  -1.491
   33    HG1  THR   5           1HG      THR   5   8.296   8.407  -2.349
   34   1HG2  THR   5          1HG2      THR   5   9.363   5.706   0.465
   35   2HG2  THR   5          2HG2      THR   5   8.172   6.965   0.791
   36   3HG2  THR   5          3HG2      THR   5   9.872   7.390   0.589
   37    H    GLY   6           H        GLY   6   9.160   4.520  -3.574
   38   1HA   GLY   6          2HA       GLY   6   9.553   5.871  -6.084
   39   2HA   GLY   6          1HA       GLY   6   8.850   4.278  -5.857
   40    H    THR   7           H        THR   7   6.622   4.068  -5.552
   41    HA   THR   7           HA       THR   7   5.069   6.213  -6.702
   42    HB   THR   7           HB       THR   7   4.267   3.460  -5.768
   43    HG1  THR   7           1HG      THR   7   4.381   4.132  -8.464
   44   1HG2  THR   7          1HG2      THR   7   2.414   3.929  -7.543
   45   2HG2  THR   7          2HG2      THR   7   2.730   5.613  -7.122
   46   3HG2  THR   7          3HG2      THR   7   2.226   4.472  -5.875
   47    H    CYS   8           H        CYS   8   4.973   4.315  -3.750
   48    HA   CYS   8           HA       CYS   8   2.882   5.742  -2.562
   49   1HB   CYS   8          2HB       CYS   8   4.976   4.095  -1.191
   50   2HB   CYS   8          1HB       CYS   8   3.371   4.487  -0.605
   51    HA   PRO   9           HA       PRO   9   5.485   9.213  -1.247
   52   1HB   PRO   9          2HB       PRO   9   3.469  10.762  -0.259
   53   2HB   PRO   9          1HB       PRO   9   3.876  10.659  -1.971
   54   1HG   PRO   9          2HG       PRO   9   1.663   9.390  -0.459
   55   2HG   PRO   9          1HG       PRO   9   1.689  10.009  -2.115
   56   1HD   PRO   9          2HD       PRO   9   1.848   7.362  -1.430
   57   2HD   PRO   9          1HD       PRO   9   2.430   8.042  -2.958
   58    H    SER  10           H        SER  10   5.339  10.628   0.806
   59    HA   SER  10           HA       SER  10   6.138   9.122   3.010
   60   1HB   SER  10          2HB       SER  10   5.078  11.933   2.924
   61   2HB   SER  10          1HB       SER  10   5.909  11.216   4.304
   62    HG   SER  10           HG       SER  10   7.090  11.339   1.735
   63    H    GLY  11           H        GLY  11   3.090  10.658   2.273
   64   1HA   GLY  11          2HA       GLY  11   1.731  10.209   4.599
   65   2HA   GLY  11          1HA       GLY  11   0.964  10.210   3.010
   66    H    CYS  12           H        CYS  12   2.501   7.915   2.049
   67    HA   CYS  12           HA       CYS  12   0.805   5.876   3.102
   68   1HB   CYS  12          2HB       CYS  12   2.904   5.987   0.982
   69   2HB   CYS  12          1HB       CYS  12   2.550   4.430   1.681
   70    H    SER  13           H        SER  13   4.189   6.836   3.566
   71    HA   SER  13           HA       SER  13   4.937   4.493   4.955
   72   1HB   SER  13          2HB       SER  13   6.915   5.647   5.578
   73   2HB   SER  13          1HB       SER  13   6.490   6.307   4.000
   74    HG   SER  13           HG       SER  13   5.381   8.002   5.256
   75    H    GLY  14           H        GLY  14   3.686   7.605   5.902
   76   1HA   GLY  14          2HA       GLY  14   3.475   6.785   8.700
   77   2HA   GLY  14          1HA       GLY  14   2.985   8.326   8.042
   78    H    ASP  15           H        ASP  15   0.984   8.295   6.680
   79    HA   ASP  15           HA       ASP  15  -1.013   6.669   8.019
   80   1HB   ASP  15          2HB       ASP  15  -1.421   8.722   5.854
   81   2HB   ASP  15          1HB       ASP  15  -2.670   7.961   6.834
   82    H    CYS  16           H        CYS  16  -1.079   4.699   7.364
   83    HA   CYS  16           HA       CYS  16  -0.641   3.928   4.637
   84   1HB   CYS  16          2HB       CYS  16   0.028   2.542   6.656
   85   2HB   CYS  16          1HB       CYS  16  -1.673   2.137   6.829
   86    H    TYR  17           H        TYR  17  -2.384   5.190   3.640
   87    HA   TYR  17           HA       TYR  17  -5.071   4.507   4.296
   88   1HB   TYR  17          2HB       TYR  17  -5.515   5.649   2.000
   89   2HB   TYR  17          1HB       TYR  17  -4.992   6.618   3.356
   90    HD1  TYR  17           1HD      TYR  17  -2.801   7.693   3.320
   91    HD2  TYR  17           2HD      TYR  17  -4.078   5.189   0.168
   92    HE1  TYR  17           1HE      TYR  17  -0.988   8.571   1.908
   93    HE2  TYR  17           2HE      TYR  17  -2.284   6.036  -1.273
   94    HH   TYR  17           HH       TYR  17   0.311   7.850  -0.080
   95    HA   PRO  18           HA       PRO  18  -5.882   0.846   2.170
   96   1HB   PRO  18          2HB       PRO  18  -7.902   2.251   0.491
   97   2HB   PRO  18          1HB       PRO  18  -8.066   0.773   1.448
   98   1HG   PRO  18          2HG       PRO  18  -9.061   3.051   2.361
   99   2HG   PRO  18          1HG       PRO  18  -8.221   1.940   3.461
  100   1HD   PRO  18          2HD       PRO  18  -7.254   4.489   2.238
  101   2HD   PRO  18          1HD       PRO  18  -6.969   3.852   3.869
  102    H    GLU  19           H        GLU  19  -5.729   3.525  -0.209
  103    HA   GLU  19           HA       GLU  19  -5.200   1.691  -2.294
  104   1HB   GLU  19          2HB       GLU  19  -4.896   4.677  -2.135
  105   2HB   GLU  19          1HB       GLU  19  -4.439   3.769  -3.557
  106   1HG   GLU  19          2HG       GLU  19  -7.110   3.157  -2.547
  107   2HG   GLU  19          1HG       GLU  19  -6.895   4.822  -3.085
  108    H    CYS  20           H        CYS  20  -3.158   2.624   0.224
  109    HA   CYS  20           HA       CYS  20  -0.707   2.754  -1.241
  110   1HB   CYS  20          2HB       CYS  20  -1.244   1.970   1.640
  111   2HB   CYS  20          1HB       CYS  20   0.352   2.203   0.962
  112    HA   PRO  21           HA       PRO  21  -0.789  -1.626  -2.323
  113   1HB   PRO  21          2HB       PRO  21   1.768  -1.791  -3.292
  114   2HB   PRO  21          1HB       PRO  21   0.396  -1.180  -4.223
  115   1HG   PRO  21          2HG       PRO  21   2.508   0.325  -2.753
  116   2HG   PRO  21          1HG       PRO  21   1.784   0.671  -4.331
  117   1HD   PRO  21          2HD       PRO  21   1.053   2.006  -2.096
  118   2HD   PRO  21          1HD       PRO  21  -0.092   1.644  -3.400
  119    HA   PRO  22           HA       PRO  22   0.623  -3.879   1.189
  120   1HB   PRO  22          2HB       PRO  22   1.939  -5.547  -0.915
  121   2HB   PRO  22          1HB       PRO  22   1.054  -6.056   0.528
  122   1HG   PRO  22          2HG       PRO  22  -0.119  -6.033  -1.875
  123   2HG   PRO  22          1HG       PRO  22  -1.005  -5.597  -0.404
  124   1HD   PRO  22          2HD       PRO  22  -0.109  -3.882  -2.622
  125   2HD   PRO  22          1HD       PRO  22  -1.370  -3.597  -1.408
  126    H    GLY  23           H        GLY  23   2.240  -3.806   2.498
  127   1HA   GLY  23          2HA       GLY  23   4.348  -3.452   3.408
  128   2HA   GLY  23          1HA       GLY  23   4.976  -4.115   1.912
  129    H    CYS  24           H        CYS  24   3.026  -1.337   1.531
  130    HA   CYS  24           HA       CYS  24   5.402   0.158   0.778
  131   1HB   CYS  24          2HB       CYS  24   2.668   0.316  -0.027
  132   2HB   CYS  24          1HB       CYS  24   3.166   1.889   0.582
  133    H    CYS  25           H        CYS  25   2.880   0.335   3.241
  134    HA   CYS  25           HA       CYS  25   4.089   2.676   4.423
  135   1HB   CYS  25          2HB       CYS  25   2.294   2.296   6.157
  136   2HB   CYS  25          1HB       CYS  25   1.729   2.623   4.536
  137    H    GLY  26           H        GLY  26   5.219   2.754   6.336
  138   1HA   GLY  26          2HA       GLY  26   6.734   1.961   7.858
  139   2HA   GLY  26          1HA       GLY  26   5.442   0.857   8.307
  140    H    GLN  27           H        GLN  27   7.732   1.218   5.628
  141    HA   GLN  27           HA       GLN  27   8.493  -1.600   5.981
  142   1HB   GLN  27          2HB       GLN  27   8.593  -1.895   3.617
  143   2HB   GLN  27          1HB       GLN  27   7.045  -1.156   3.995
  144   1HG   GLN  27          2HG       GLN  27   7.552   0.217   2.311
  145   2HG   GLN  27          1HG       GLN  27   8.521   1.045   3.529
  146   1HE2  GLN  27          1HE2      GLN  27   8.753  -1.635   1.215
  147   2HE2  GLN  27          2HE2      GLN  27  10.377  -1.301   0.730
  148    H    VAL  28           H        VAL  28   9.573   1.399   6.373
  149    HA   VAL  28           HA       VAL  28  12.335   0.635   5.743
  150    HB   VAL  28           HB       VAL  28  11.617   2.218   4.050
  151   1HG1  VAL  28          1HG1      VAL  28  10.051   3.691   4.672
  152   2HG1  VAL  28          2HG1      VAL  28  11.414   4.678   5.193
  153   3HG1  VAL  28          3HG1      VAL  28  10.561   3.670   6.358
  154   1HG2  VAL  28          1HG2      VAL  28  13.651   3.129   4.009
  155   2HG2  VAL  28          2HG2      VAL  28  13.909   2.357   5.572
  156   3HG2  VAL  28          3HG2      VAL  28  13.363   4.031   5.496
  157    H    ASN  29           H        ASN  29  12.407   0.011   7.931
  158    HA   ASN  29           HA       ASN  29  13.293   2.125   9.654
  159   1HB   ASN  29          2HB       ASN  29  10.627   1.358   9.870
  160   2HB   ASN  29          1HB       ASN  29  11.429   0.468  11.160
  161   1HD2  ASN  29          1HD2      ASN  29  11.481   3.723   9.737
  162   2HD2  ASN  29          2HD2      ASN  29  11.501   4.563  11.247
  163    H    LEU  30           H        LEU  30  15.189   1.349  10.383
  164    HA   LEU  30           HA       LEU  30  15.730  -1.467  10.437
  165   1HB   LEU  30          2HB       LEU  30  17.404   0.790  11.538
  166   2HB   LEU  30          1HB       LEU  30  17.947  -0.841  11.194
  167    HG   LEU  30           HG       LEU  30  16.886   0.127   8.775
  168   1HD1  LEU  30          1HD1      LEU  30  17.698   2.234   8.401
  169   2HD1  LEU  30          2HD1      LEU  30  18.926   2.104   9.659
  170   3HD1  LEU  30          3HD1      LEU  30  17.240   2.368  10.098
  171   1HD2  LEU  30          1HD2      LEU  30  18.893  -1.388   9.350
  172   2HD2  LEU  30          2HD2      LEU  30  19.808   0.117   9.438
  173   3HD2  LEU  30          3HD2      LEU  30  19.005  -0.339   7.936
  174    H    ASN  31           H        ASN  31  13.620  -0.425  12.272
  175    HA   ASN  31           HA       ASN  31  14.778  -0.930  14.898
  176   1HB   ASN  31          2HB       ASN  31  12.711   0.737  13.972
  177   2HB   ASN  31          1HB       ASN  31  11.916  -0.519  14.916
  178   1HD2  ASN  31          1HD2      ASN  31  11.670  -0.040  16.962
  179   2HD2  ASN  31          2HD2      ASN  31  12.703   0.970  17.910
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1   4.290  -7.870  -6.320
    2   2H    GLY   1          2HT       GLY   1   5.240  -8.272  -7.659
    3   3H    GLY   1          3HT       GLY   1   3.647  -8.830  -7.555
    4   1HA   GLY   1          1HA       GLY   1   3.795  -6.997  -9.113
    5   2HA   GLY   1          2HA       GLY   1   2.797  -6.586  -7.726
    6    H    SER   2           H        SER   2   4.335  -5.749  -5.812
    7    HA   SER   2           HA       SER   2   5.289  -3.240  -6.680
    8   1HB   SER   2          2HB       SER   2   4.492  -4.178  -4.292
    9   2HB   SER   2          1HB       SER   2   6.238  -4.290  -4.067
   10    HG   SER   2           HG       SER   2   4.773  -1.973  -4.807
   11    H    GLN   3           H        GLN   3   7.203  -2.628  -7.439
   12    HA   GLN   3           HA       GLN   3   9.654  -3.893  -6.652
   13   1HB   GLN   3          2HB       GLN   3   8.632  -5.391  -8.466
   14   2HB   GLN   3          1HB       GLN   3   8.976  -4.076  -9.582
   15   1HG   GLN   3          2HG       GLN   3  11.342  -4.223  -9.058
   16   2HG   GLN   3          1HG       GLN   3  11.016  -5.502  -7.889
   17   1HE2  GLN   3          1HE2      GLN   3  10.517  -7.557  -8.613
   18   2HE2  GLN   3          2HE2      GLN   3  10.762  -8.052 -10.250
   19    H    ILE   4           H        ILE   4   8.516  -1.251  -6.604
   20    HA   ILE   4           HA       ILE   4  10.147   0.215  -8.528
   21    HB   ILE   4           HB       ILE   4   7.995   1.284  -6.701
   22   1HG1  ILE   4          2HG1      ILE   4   7.049  -0.323  -8.283
   23   2HG1  ILE   4          1HG1      ILE   4   6.560   1.317  -8.700
   24   1HG2  ILE   4          1HG2      ILE   4   8.746   2.669  -9.196
   25   2HG2  ILE   4          2HG2      ILE   4   9.917   2.720  -7.890
   26   3HG2  ILE   4          3HG2      ILE   4   8.297   3.325  -7.627
   27   1HD1  ILE   4          1HD1      ILE   4   7.301   0.972 -10.750
   28   2HD1  ILE   4          2HD1      ILE   4   7.911  -0.619 -10.294
   29   3HD1  ILE   4          3HD1      ILE   4   8.936   0.806 -10.109
   30    H    THR   5           H        THR   5  11.300   2.123  -7.761
   31    HA   THR   5           HA       THR   5  12.847   1.565  -5.432
   32    HB   THR   5           HB       THR   5  13.885   3.834  -6.002
   33    HG1  THR   5           1HG      THR   5  11.972   3.601  -8.031
   34   1HG2  THR   5          1HG2      THR   5  15.281   2.958  -7.611
   35   2HG2  THR   5          2HG2      THR   5  13.998   1.996  -8.347
   36   3HG2  THR   5          3HG2      THR   5  14.677   1.520  -6.790
   37    H    GLY   6           H        GLY   6  10.309   3.776  -6.239
   38   1HA   GLY   6          2HA       GLY   6   9.601   4.205  -3.521
   39   2HA   GLY   6          1HA       GLY   6  10.472   5.593  -4.150
   40    H    THR   7           H        THR   7   7.636   3.533  -4.727
   41    HA   THR   7           HA       THR   7   6.432   5.525  -6.439
   42    HB   THR   7           HB       THR   7   5.304   2.936  -5.374
   43    HG1  THR   7           1HG      THR   7   6.549   3.559  -7.839
   44   1HG2  THR   7          1HG2      THR   7   3.671   3.049  -7.109
   45   2HG2  THR   7          2HG2      THR   7   4.369   4.542  -7.736
   46   3HG2  THR   7          3HG2      THR   7   3.580   4.531  -6.157
   47    H    CYS   8           H        CYS   8   5.536   3.946  -3.422
   48    HA   CYS   8           HA       CYS   8   3.385   5.622  -2.885
   49   1HB   CYS   8          2HB       CYS   8   4.956   3.941  -0.957
   50   2HB   CYS   8          1HB       CYS   8   3.316   4.528  -0.745
   51    HA   PRO   9           HA       PRO   9   5.656   9.146  -1.270
   52   1HB   PRO   9          2HB       PRO   9   3.504  10.559  -0.337
   53   2HB   PRO   9          1HB       PRO   9   4.019  10.535  -2.024
   54   1HG   PRO   9          2HG       PRO   9   1.809   9.074  -0.687
   55   2HG   PRO   9          1HG       PRO   9   1.877   9.777  -2.308
   56   1HD   PRO   9          2HD       PRO   9   2.141   7.122  -1.796
   57   2HD   PRO   9          1HD       PRO   9   2.857   7.934  -3.204
   58    H    SER  10           H        SER  10   5.395  10.534   0.752
   59    HA   SER  10           HA       SER  10   6.155   9.071   2.996
   60   1HB   SER  10          2HB       SER  10   5.033  11.856   2.913
   61   2HB   SER  10          1HB       SER  10   5.950  11.157   4.246
   62    HG   SER  10           HG       SER  10   7.758  11.079   2.929
   63    H    GLY  11           H        GLY  11   3.101  10.585   2.197
   64   1HA   GLY  11          2HA       GLY  11   1.714  10.146   4.503
   65   2HA   GLY  11          1HA       GLY  11   0.966  10.135   2.905
   66    H    CYS  12           H        CYS  12   2.485   7.849   1.967
   67    HA   CYS  12           HA       CYS  12   0.794   5.815   3.037
   68   1HB   CYS  12          2HB       CYS  12   2.865   5.926   0.886
   69   2HB   CYS  12          1HB       CYS  12   2.492   4.366   1.576
   70    H    SER  13           H        SER  13   4.168   6.794   3.484
   71    HA   SER  13           HA       SER  13   4.939   4.452   4.867
   72   1HB   SER  13          2HB       SER  13   6.552   6.143   3.934
   73   2HB   SER  13          1HB       SER  13   6.073   7.236   5.234
   74    HG   SER  13           HG       SER  13   7.765   6.231   6.097
   75    H    GLY  14           H        GLY  14   3.687   7.568   5.823
   76   1HA   GLY  14          2HA       GLY  14   3.469   6.741   8.618
   77   2HA   GLY  14          1HA       GLY  14   2.998   8.288   7.963
   78    H    ASP  15           H        ASP  15   0.991   8.262   6.574
   79    HA   ASP  15           HA       ASP  15  -1.024   6.688   7.941
   80   1HB   ASP  15          2HB       ASP  15  -1.408   8.688   5.722
   81   2HB   ASP  15          1HB       ASP  15  -2.663   7.973   6.728
   82    H    CYS  16           H        CYS  16  -1.116   4.714   7.339
   83    HA   CYS  16           HA       CYS  16  -0.686   3.846   4.634
   84   1HB   CYS  16          2HB       CYS  16  -0.020   2.526   6.709
   85   2HB   CYS  16          1HB       CYS  16  -1.723   2.141   6.893
   86    H    TYR  17           H        TYR  17  -2.441   5.102   3.615
   87    HA   TYR  17           HA       TYR  17  -5.116   4.471   4.361
   88   1HB   TYR  17          2HB       TYR  17  -5.630   5.527   2.053
   89   2HB   TYR  17          1HB       TYR  17  -5.041   6.543   3.341
   90    HD1  TYR  17           1HD      TYR  17  -2.718   7.458   3.214
   91    HD2  TYR  17           2HD      TYR  17  -4.411   5.131   0.111
   92    HE1  TYR  17           1HE      TYR  17  -0.991   8.282   1.668
   93    HE2  TYR  17           2HE      TYR  17  -2.703   5.924  -1.454
   94    HH   TYR  17           HH       TYR  17  -1.043   8.467  -1.212
   95    HA   PRO  18           HA       PRO  18  -6.019   0.743   2.416
   96   1HB   PRO  18          2HB       PRO  18  -8.079   2.120   0.757
   97   2HB   PRO  18          1HB       PRO  18  -8.226   0.668   1.757
   98   1HG   PRO  18          2HG       PRO  18  -9.173   2.977   2.644
   99   2HG   PRO  18          1HG       PRO  18  -8.308   1.887   3.744
  100   1HD   PRO  18          2HD       PRO  18  -7.363   4.398   2.432
  101   2HD   PRO  18          1HD       PRO  18  -7.021   3.794   4.064
  102    H    GLU  19           H        GLU  19  -6.029   3.328  -0.069
  103    HA   GLU  19           HA       GLU  19  -5.394   1.419  -2.080
  104   1HB   GLU  19          2HB       GLU  19  -5.423   4.423  -2.089
  105   2HB   GLU  19          1HB       GLU  19  -4.852   3.501  -3.461
  106   1HG   GLU  19          2HG       GLU  19  -7.588   3.302  -2.230
  107   2HG   GLU  19          1HG       GLU  19  -7.183   4.174  -3.706
  108    H    CYS  20           H        CYS  20  -3.431   2.560   0.359
  109    HA   CYS  20           HA       CYS  20  -1.036   3.038  -1.099
  110   1HB   CYS  20          2HB       CYS  20  -1.607   2.249   1.745
  111   2HB   CYS  20          1HB       CYS  20   0.041   2.285   1.145
  112    HA   PRO  21           HA       PRO  21  -0.429  -1.206  -2.645
  113   1HB   PRO  21          2HB       PRO  21   2.418  -0.310  -2.458
  114   2HB   PRO  21          1HB       PRO  21   1.590  -1.156  -3.769
  115   1HG   PRO  21          2HG       PRO  21   2.094   1.453  -3.938
  116   2HG   PRO  21          1HG       PRO  21   0.589   0.767  -4.563
  117   1HD   PRO  21          2HD       PRO  21   1.027   2.421  -2.135
  118   2HD   PRO  21          1HD       PRO  21  -0.400   2.254  -3.174
  119    HA   PRO  22           HA       PRO  22   0.696  -3.541   0.928
  120   1HB   PRO  22          2HB       PRO  22   1.920  -5.714  -0.125
  121   2HB   PRO  22          1HB       PRO  22   0.173  -5.449  -0.222
  122   1HG   PRO  22          2HG       PRO  22   2.289  -4.880  -2.264
  123   2HG   PRO  22          1HG       PRO  22   0.712  -5.669  -2.482
  124   1HD   PRO  22          2HD       PRO  22   1.079  -3.086  -3.108
  125   2HD   PRO  22          1HD       PRO  22  -0.442  -3.657  -2.398
  126    H    GLY  23           H        GLY  23   2.248  -3.675   2.342
  127   1HA   GLY  23          2HA       GLY  23   4.320  -3.444   3.366
  128   2HA   GLY  23          1HA       GLY  23   4.999  -4.075   1.875
  129    H    CYS  24           H        CYS  24   3.093  -1.288   1.525
  130    HA   CYS  24           HA       CYS  24   5.472   0.247   0.868
  131   1HB   CYS  24          2HB       CYS  24   2.684   0.422   0.102
  132   2HB   CYS  24          1HB       CYS  24   3.315   1.991   0.587
  133    H    CYS  25           H        CYS  25   2.898   0.318   3.292
  134    HA   CYS  25           HA       CYS  25   4.043   2.662   4.535
  135   1HB   CYS  25          2HB       CYS  25   2.211   2.298   6.193
  136   2HB   CYS  25          1HB       CYS  25   1.672   2.566   4.553
  137    H    GLY  26           H        GLY  26   5.049   2.743   6.511
  138   1HA   GLY  26          2HA       GLY  26   5.262   0.895   8.477
  139   2HA   GLY  26          1HA       GLY  26   6.452   0.367   7.294
  140    H    GLN  27           H        GLN  27   5.374   3.333   8.904
  141    HA   GLN  27           HA       GLN  27   7.899   4.626   8.651
  142   1HB   GLN  27          2HB       GLN  27   6.919   6.407   9.944
  143   2HB   GLN  27          1HB       GLN  27   5.736   5.816   8.787
  144   1HG   GLN  27          2HG       GLN  27   4.331   5.752  10.505
  145   2HG   GLN  27          1HG       GLN  27   5.193   4.291  10.982
  146   1HE2  GLN  27          1HE2      GLN  27   4.269   5.068  13.088
  147   2HE2  GLN  27          2HE2      GLN  27   5.254   6.126  14.033
  148    H    VAL  28           H        VAL  28   7.107   2.105  10.532
  149    HA   VAL  28           HA       VAL  28   9.000   2.914  12.629
  150    HB   VAL  28           HB       VAL  28   6.782   2.738  13.583
  151   1HG1  VAL  28          1HG1      VAL  28   6.737   0.160  12.136
  152   2HG1  VAL  28          2HG1      VAL  28   5.435   1.298  12.469
  153   3HG1  VAL  28          3HG1      VAL  28   5.981   0.193  13.727
  154   1HG2  VAL  28          1HG2      VAL  28   9.042   1.695  14.604
  155   2HG2  VAL  28          2HG2      VAL  28   7.986   0.285  14.675
  156   3HG2  VAL  28          3HG2      VAL  28   7.516   1.781  15.484
  157    H    ASN  29           H        ASN  29  10.573   2.070  11.163
  158    HA   ASN  29           HA       ASN  29  11.324  -0.580  11.831
  159   1HB   ASN  29          2HB       ASN  29   9.591  -0.765   9.883
  160   2HB   ASN  29          1HB       ASN  29  10.932  -0.222   8.878
  161   1HD2  ASN  29          1HD2      ASN  29  10.531  -2.488  11.586
  162   2HD2  ASN  29          2HD2      ASN  29  11.335  -3.810  10.818
  163    H    LEU  30           H        LEU  30  13.468  -1.071  11.209
  164    HA   LEU  30           HA       LEU  30  15.055   1.307  10.650
  165   1HB   LEU  30          2HB       LEU  30  16.103  -1.433  11.337
  166   2HB   LEU  30          1HB       LEU  30  16.929   0.105  11.486
  167    HG   LEU  30           HG       LEU  30  15.040   0.644  13.223
  168   1HD1  LEU  30          1HD1      LEU  30  15.128  -2.345  13.517
  169   2HD1  LEU  30          2HD1      LEU  30  13.834  -1.522  12.654
  170   3HD1  LEU  30          3HD1      LEU  30  14.100  -1.190  14.361
  171   1HD2  LEU  30          1HD2      LEU  30  16.452  -0.594  14.973
  172   2HD2  LEU  30          2HD2      LEU  30  17.250   0.620  13.971
  173   3HD2  LEU  30          3HD2      LEU  30  17.452  -1.094  13.608
  174    H    ASN  31           H        ASN  31  13.549   0.157   8.503
  175    HA   ASN  31           HA       ASN  31  15.743  -0.710   6.745
  176   1HB   ASN  31          2HB       ASN  31  13.630  -2.277   7.398
  177   2HB   ASN  31          1HB       ASN  31  12.986  -1.457   5.979
  178   1HD2  ASN  31          1HD2      ASN  31  13.263  -2.553   4.193
  179   2HD2  ASN  31          2HD2      ASN  31  14.603  -3.577   3.815
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  14.120  13.811  -7.641
    2   2H    GLY   1          2HT       GLY   1  12.458  13.706  -7.338
    3   3H    GLY   1          3HT       GLY   1  13.012  14.090  -8.889
    4   1HA   GLY   1          1HA       GLY   1  13.455  11.505  -7.497
    5   2HA   GLY   1          2HA       GLY   1  12.256  11.783  -8.752
    6    H    SER   2           H        SER   2  14.614   9.963  -8.618
    7    HA   SER   2           HA       SER   2  15.486  10.285 -11.301
    8   1HB   SER   2          2HB       SER   2  16.899  11.905  -9.645
    9   2HB   SER   2          1HB       SER   2  17.866  10.433  -9.551
   10    HG   SER   2           HG       SER   2  18.412  10.639 -11.599
   11    H    GLN   3           H        GLN   3  16.274   8.905  -8.145
   12    HA   GLN   3           HA       GLN   3  16.040   6.237  -9.118
   13   1HB   GLN   3          2HB       GLN   3  18.374   7.054  -9.868
   14   2HB   GLN   3          1HB       GLN   3  18.807   6.920  -8.169
   15   1HG   GLN   3          2HG       GLN   3  18.368   4.585  -8.158
   16   2HG   GLN   3          1HG       GLN   3  17.642   4.655  -9.763
   17   1HE2  GLN   3          1HE2      GLN   3  20.062   3.277  -8.490
   18   2HE2  GLN   3          2HE2      GLN   3  21.336   3.580  -9.616
   19    H    ILE   4           H        ILE   4  16.673   8.519  -6.601
   20    HA   ILE   4           HA       ILE   4  16.646   6.490  -4.524
   21    HB   ILE   4           HB       ILE   4  16.792   9.470  -4.223
   22   1HG1  ILE   4          2HG1      ILE   4  18.761   9.177  -5.356
   23   2HG1  ILE   4          1HG1      ILE   4  19.319   8.719  -3.752
   24   1HG2  ILE   4          1HG2      ILE   4  16.250   7.704  -2.303
   25   2HG2  ILE   4          2HG2      ILE   4  17.202   9.159  -2.016
   26   3HG2  ILE   4          3HG2      ILE   4  18.009   7.614  -2.272
   27   1HD1  ILE   4          1HD1      ILE   4  19.786   7.247  -5.911
   28   2HD1  ILE   4          2HD1      ILE   4  18.227   6.554  -5.459
   29   3HD1  ILE   4          3HD1      ILE   4  19.566   6.539  -4.312
   30    H    THR   5           H        THR   5  14.409   6.735  -6.100
   31    HA   THR   5           HA       THR   5  12.399   7.451  -4.088
   32    HB   THR   5           HB       THR   5  12.497   9.293  -5.746
   33    HG1  THR   5           1HG      THR   5  10.065   8.455  -6.434
   34   1HG2  THR   5          1HG2      THR   5  11.275   8.684  -7.967
   35   2HG2  THR   5          2HG2      THR   5  11.986   7.095  -7.687
   36   3HG2  THR   5          3HG2      THR   5  13.024   8.513  -7.833
   37    H    GLY   6           H        GLY   6  10.116   6.684  -5.163
   38   1HA   GLY   6          2HA       GLY   6  10.455   4.102  -6.471
   39   2HA   GLY   6          1HA       GLY   6   9.809   4.064  -4.839
   40    H    THR   7           H        THR   7   7.714   4.821  -4.446
   41    HA   THR   7           HA       THR   7   6.134   5.873  -6.615
   42    HB   THR   7           HB       THR   7   5.476   3.165  -5.456
   43    HG1  THR   7           1HG      THR   7   6.095   2.354  -7.363
   44   1HG2  THR   7          1HG2      THR   7   3.994   4.938  -7.356
   45   2HG2  THR   7          2HG2      THR   7   3.400   4.100  -5.922
   46   3HG2  THR   7          3HG2      THR   7   3.795   3.185  -7.377
   47    H    CYS   8           H        CYS   8   5.587   4.136  -3.593
   48    HA   CYS   8           HA       CYS   8   3.404   5.663  -2.822
   49   1HB   CYS   8          2HB       CYS   8   5.244   3.878  -1.294
   50   2HB   CYS   8          1HB       CYS   8   3.817   4.616  -0.590
   51    HA   PRO   9           HA       PRO   9   5.667   9.224  -1.226
   52   1HB   PRO   9          2HB       PRO   9   3.498  10.620  -0.319
   53   2HB   PRO   9          1HB       PRO   9   4.026  10.598  -2.002
   54   1HG   PRO   9          2HG       PRO   9   1.807   9.141  -0.683
   55   2HG   PRO   9          1HG       PRO   9   1.900   9.817  -2.313
   56   1HD   PRO   9          2HD       PRO   9   2.174   7.166  -1.726
   57   2HD   PRO   9          1HD       PRO   9   2.858   7.947  -3.163
   58    H    SER  10           H        SER  10   5.380  10.597   0.793
   59    HA   SER  10           HA       SER  10   6.125   9.135   3.044
   60   1HB   SER  10          2HB       SER  10   5.009  11.919   2.909
   61   2HB   SER  10          1HB       SER  10   5.853  11.231   4.294
   62    HG   SER  10           HG       SER  10   6.880  11.899   1.750
   63    H    GLY  11           H        GLY  11   3.071  10.630   2.214
   64   1HA   GLY  11          2HA       GLY  11   1.669  10.200   4.508
   65   2HA   GLY  11          1HA       GLY  11   0.934  10.171   2.906
   66    H    CYS  12           H        CYS  12   2.431   7.877   1.983
   67    HA   CYS  12           HA       CYS  12   0.743   5.858   3.088
   68   1HB   CYS  12          2HB       CYS  12   2.794   5.942   0.923
   69   2HB   CYS  12          1HB       CYS  12   2.448   4.391   1.644
   70    H    SER  13           H        SER  13   4.112   6.851   3.518
   71    HA   SER  13           HA       SER  13   4.916   4.513   4.877
   72   1HB   SER  13          2HB       SER  13   6.016   7.288   5.340
   73   2HB   SER  13          1HB       SER  13   6.849   5.751   5.552
   74    HG   SER  13           HG       SER  13   5.873   6.185   3.008
   75    H    GLY  14           H        GLY  14   3.682   7.618   5.890
   76   1HA   GLY  14          2HA       GLY  14   3.477   6.755   8.670
   77   2HA   GLY  14          1HA       GLY  14   2.987   8.306   8.036
   78    H    ASP  15           H        ASP  15   0.975   8.280   6.661
   79    HA   ASP  15           HA       ASP  15  -1.012   6.661   8.014
   80   1HB   ASP  15          2HB       ASP  15  -1.415   8.720   5.856
   81   2HB   ASP  15          1HB       ASP  15  -2.671   7.953   6.822
   82    H    CYS  16           H        CYS  16  -1.086   4.690   7.365
   83    HA   CYS  16           HA       CYS  16  -0.678   3.896   4.638
   84   1HB   CYS  16          2HB       CYS  16  -0.009   2.531   6.679
   85   2HB   CYS  16          1HB       CYS  16  -1.711   2.137   6.858
   86    H    TYR  17           H        TYR  17  -2.439   5.181   3.656
   87    HA   TYR  17           HA       TYR  17  -5.117   4.528   4.363
   88   1HB   TYR  17          2HB       TYR  17  -5.596   5.649   2.064
   89   2HB   TYR  17          1HB       TYR  17  -5.046   6.626   3.399
   90    HD1  TYR  17           1HD      TYR  17  -2.827   7.669   3.320
   91    HD2  TYR  17           2HD      TYR  17  -4.225   5.197   0.185
   92    HE1  TYR  17           1HE      TYR  17  -1.047   8.536   1.860
   93    HE2  TYR  17           2HE      TYR  17  -2.462   6.030  -1.295
   94    HH   TYR  17           HH       TYR  17  -1.046   8.174  -1.435
   95    HA   PRO  18           HA       PRO  18  -6.103   0.883   2.296
   96   1HB   PRO  18          2HB       PRO  18  -8.056   2.413   0.633
   97   2HB   PRO  18          1HB       PRO  18  -8.288   0.912   1.540
   98   1HG   PRO  18          2HG       PRO  18  -9.181   3.186   2.541
   99   2HG   PRO  18          1HG       PRO  18  -8.361   2.018   3.597
  100   1HD   PRO  18          2HD       PRO  18  -7.334   4.567   2.430
  101   2HD   PRO  18          1HD       PRO  18  -7.033   3.874   4.034
  102    H    GLU  19           H        GLU  19  -5.928   3.521  -0.142
  103    HA   GLU  19           HA       GLU  19  -5.348   1.623  -2.165
  104   1HB   GLU  19          2HB       GLU  19  -5.193   4.618  -2.100
  105   2HB   GLU  19          1HB       GLU  19  -4.586   3.710  -3.468
  106   1HG   GLU  19          2HG       GLU  19  -7.371   3.359  -2.420
  107   2HG   GLU  19          1HG       GLU  19  -6.955   4.584  -3.617
  108    H    CYS  20           H        CYS  20  -3.368   2.613   0.340
  109    HA   CYS  20           HA       CYS  20  -0.901   2.819  -1.086
  110   1HB   CYS  20          2HB       CYS  20  -1.519   2.085   1.788
  111   2HB   CYS  20          1HB       CYS  20   0.113   2.205   1.163
  112    HA   PRO  21           HA       PRO  21  -0.862  -1.540  -2.230
  113   1HB   PRO  21          2HB       PRO  21   1.766  -1.636  -3.054
  114   2HB   PRO  21          1HB       PRO  21   0.415  -1.108  -4.061
  115   1HG   PRO  21          2HG       PRO  21   2.410   0.503  -2.572
  116   2HG   PRO  21          1HG       PRO  21   1.683   0.815  -4.150
  117   1HD   PRO  21          2HD       PRO  21   0.908   2.119  -1.901
  118   2HD   PRO  21          1HD       PRO  21  -0.206   1.754  -3.232
  119    HA   PRO  22           HA       PRO  22   0.860  -3.814   1.094
  120   1HB   PRO  22          2HB       PRO  22   2.167  -5.896  -0.101
  121   2HB   PRO  22          1HB       PRO  22   0.413  -5.801   0.094
  122   1HG   PRO  22          2HG       PRO  22   2.094  -5.101  -2.277
  123   2HG   PRO  22          1HG       PRO  22   0.573  -6.014  -2.221
  124   1HD   PRO  22          2HD       PRO  22   0.592  -3.445  -2.943
  125   2HD   PRO  22          1HD       PRO  22  -0.707  -4.090  -1.919
  126    H    GLY  23           H        GLY  23   2.512  -3.830   2.359
  127   1HA   GLY  23          2HA       GLY  23   4.643  -3.494   3.222
  128   2HA   GLY  23          1HA       GLY  23   5.242  -4.060   1.674
  129    H    CYS  24           H        CYS  24   3.168  -1.370   1.450
  130    HA   CYS  24           HA       CYS  24   5.435   0.283   0.709
  131   1HB   CYS  24          2HB       CYS  24   2.626   0.319   0.043
  132   2HB   CYS  24          1HB       CYS  24   3.155   1.913   0.573
  133    H    CYS  25           H        CYS  25   2.870   0.348   3.174
  134    HA   CYS  25           HA       CYS  25   4.065   2.660   4.419
  135   1HB   CYS  25          2HB       CYS  25   2.212   2.374   6.043
  136   2HB   CYS  25          1HB       CYS  25   1.681   2.558   4.387
  137    H    GLY  26           H        GLY  26   4.976   2.732   6.460
  138   1HA   GLY  26          2HA       GLY  26   5.714   1.781   8.502
  139   2HA   GLY  26          1HA       GLY  26   5.488   0.179   7.816
  140    H    GLN  27           H        GLN  27   7.465   3.107   7.446
  141    HA   GLN  27           HA       GLN  27   9.686   1.412   6.532
  142   1HB   GLN  27          2HB       GLN  27  10.648   3.382   5.536
  143   2HB   GLN  27          1HB       GLN  27   8.969   3.253   5.034
  144   1HG   GLN  27          2HG       GLN  27   8.555   5.279   5.792
  145   2HG   GLN  27          1HG       GLN  27   9.069   4.804   7.409
  146   1HE2  GLN  27          1HE2      GLN  27   9.653   7.157   7.325
  147   2HE2  GLN  27          2HE2      GLN  27  11.245   7.551   6.785
  148    H    VAL  28           H        VAL  28   8.571   2.700   9.285
  149    HA   VAL  28           HA       VAL  28  11.128   3.616  10.326
  150    HB   VAL  28           HB       VAL  28   9.123   4.884  10.919
  151   1HG1  VAL  28          1HG1      VAL  28   7.859   3.532  12.921
  152   2HG1  VAL  28          2HG1      VAL  28   8.155   2.251  11.748
  153   3HG1  VAL  28          3HG1      VAL  28   7.258   3.694  11.272
  154   1HG2  VAL  28          1HG2      VAL  28   9.559   4.329  13.584
  155   2HG2  VAL  28          2HG2      VAL  28  10.495   5.441  12.586
  156   3HG2  VAL  28          3HG2      VAL  28  11.038   3.776  12.799
  157    H    ASN  29           H        ASN  29  11.832   1.380   9.832
  158    HA   ASN  29           HA       ASN  29  12.204  -0.025  12.267
  159   1HB   ASN  29          2HB       ASN  29  10.049  -0.885  10.541
  160   2HB   ASN  29          1HB       ASN  29  11.264  -2.150  10.689
  161   1HD2  ASN  29          1HD2      ASN  29   8.464  -1.695  11.757
  162   2HD2  ASN  29          2HD2      ASN  29   8.598  -2.051  13.442
  163    H    LEU  30           H        LEU  30  14.378   0.176  11.880
  164    HA   LEU  30           HA       LEU  30  15.614  -0.436   9.398
  165   1HB   LEU  30          2HB       LEU  30  16.803  -0.261  12.169
  166   2HB   LEU  30          1HB       LEU  30  17.728  -0.337  10.682
  167    HG   LEU  30           HG       LEU  30  15.808   1.836  10.612
  168   1HD1  LEU  30          1HD1      LEU  30  17.945   2.386  12.589
  169   2HD1  LEU  30          2HD1      LEU  30  16.532   1.488  13.144
  170   3HD1  LEU  30          3HD1      LEU  30  16.334   3.088  12.429
  171   1HD2  LEU  30          1HD2      LEU  30  18.428   1.213   9.702
  172   2HD2  LEU  30          2HD2      LEU  30  18.507   2.721  10.612
  173   3HD2  LEU  30          3HD2      LEU  30  17.398   2.570   9.250
  174    H    ASN  31           H        ASN  31  15.734  -2.147  12.525
  175    HA   ASN  31           HA       ASN  31  16.679  -4.549  11.186
  176   1HB   ASN  31          2HB       ASN  31  16.310  -3.791  14.080
  177   2HB   ASN  31          1HB       ASN  31  16.685  -5.441  13.591
  178   1HD2  ASN  31          1HD2      ASN  31  17.809  -2.105  13.276
  179   2HD2  ASN  31          2HD2      ASN  31  19.491  -2.494  13.200
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  18.841  12.968   1.336
    2   2H    GLY   1          2HT       GLY   1  20.379  13.644   1.137
    3   3H    GLY   1          3HT       GLY   1  20.216  12.098   1.803
    4   1HA   GLY   1          1HA       GLY   1  20.736  12.628  -0.796
    5   2HA   GLY   1          2HA       GLY   1  20.122  11.107  -0.168
    6    H    SER   2           H        SER   2  18.792  14.336  -0.909
    7    HA   SER   2           HA       SER   2  16.266  13.244  -1.680
    8   1HB   SER   2          2HB       SER   2  15.679  15.538  -2.272
    9   2HB   SER   2          1HB       SER   2  16.501  15.513  -0.713
   10    HG   SER   2           HG       SER   2  18.166  16.534  -1.556
   11    H    GLN   3           H        GLN   3  16.445  11.856  -3.383
   12    HA   GLN   3           HA       GLN   3  16.817  13.042  -5.985
   13   1HB   GLN   3          2HB       GLN   3  19.132  12.410  -5.283
   14   2HB   GLN   3          1HB       GLN   3  18.599  10.739  -5.172
   15   1HG   GLN   3          2HG       GLN   3  18.825  10.427  -7.353
   16   2HG   GLN   3          1HG       GLN   3  17.930  11.898  -7.731
   17   1HE2  GLN   3          1HE2      GLN   3  19.347  13.916  -6.948
   18   2HE2  GLN   3          2HE2      GLN   3  20.933  13.930  -7.630
   19    H    ILE   4           H        ILE   4  16.009  11.731  -7.691
   20    HA   ILE   4           HA       ILE   4  14.340  10.474  -8.555
   21    HB   ILE   4           HB       ILE   4  16.446   8.959  -8.119
   22   1HG1  ILE   4          2HG1      ILE   4  14.604   7.043  -8.917
   23   2HG1  ILE   4          1HG1      ILE   4  13.848   8.576  -9.340
   24   1HG2  ILE   4          1HG2      ILE   4  14.359   7.586  -6.430
   25   2HG2  ILE   4          2HG2      ILE   4  15.874   8.281  -5.858
   26   3HG2  ILE   4          3HG2      ILE   4  15.897   6.890  -6.938
   27   1HD1  ILE   4          1HD1      ILE   4  16.157   9.126 -10.368
   28   2HD1  ILE   4          2HD1      ILE   4  15.020   8.094 -11.237
   29   3HD1  ILE   4          3HD1      ILE   4  16.368   7.376 -10.356
   30    H    THR   5           H        THR   5  12.844   8.373  -7.826
   31    HA   THR   5           HA       THR   5  11.715   8.761  -5.196
   32    HB   THR   5           HB       THR   5  10.661  10.566  -6.509
   33    HG1  THR   5           1HG      THR   5   8.419   9.168  -6.294
   34   1HG2  THR   5          1HG2      THR   5   8.854   9.745  -8.164
   35   2HG2  THR   5          2HG2      THR   5   9.890   8.326  -8.328
   36   3HG2  THR   5          3HG2      THR   5  10.518   9.926  -8.719
   37    H    GLY   6           H        GLY   6   9.238   7.518  -5.659
   38   1HA   GLY   6          2HA       GLY   6   9.900   4.976  -6.962
   39   2HA   GLY   6          1HA       GLY   6   9.455   4.949  -5.261
   40    H    THR   7           H        THR   7   7.317   5.422  -4.652
   41    HA   THR   7           HA       THR   7   5.345   6.020  -6.651
   42    HB   THR   7           HB       THR   7   5.402   3.311  -5.318
   43    HG1  THR   7           1HG      THR   7   6.579   3.372  -7.212
   44   1HG2  THR   7          1HG2      THR   7   3.230   3.010  -5.628
   45   2HG2  THR   7          2HG2      THR   7   3.300   3.677  -7.259
   46   3HG2  THR   7          3HG2      THR   7   3.101   4.750  -5.875
   47    H    CYS   8           H        CYS   8   5.234   4.308  -3.589
   48    HA   CYS   8           HA       CYS   8   3.096   5.782  -2.548
   49   1HB   CYS   8          2HB       CYS   8   5.104   4.047  -1.158
   50   2HB   CYS   8          1HB       CYS   8   3.580   4.592  -0.492
   51    HA   PRO   9           HA       PRO   9   5.680   9.329  -1.228
   52   1HB   PRO   9          2HB       PRO   9   3.175  10.348  -0.124
   53   2HB   PRO   9          1HB       PRO   9   4.239  11.061  -1.339
   54   1HG   PRO   9          2HG       PRO   9   1.787   9.994  -1.846
   55   2HG   PRO   9          1HG       PRO   9   3.076  10.173  -3.042
   56   1HD   PRO   9          2HD       PRO   9   2.060   7.749  -1.715
   57   2HD   PRO   9          1HD       PRO   9   2.925   7.935  -3.251
   58    H    SER  10           H        SER  10   5.351  10.680   0.835
   59    HA   SER  10           HA       SER  10   6.153   9.179   3.039
   60   1HB   SER  10          2HB       SER  10   4.982  11.945   2.956
   61   2HB   SER  10          1HB       SER  10   5.799  11.243   4.349
   62    HG   SER  10           HG       SER  10   7.248  11.131   2.008
   63    H    GLY  11           H        GLY  11   3.054  10.656   2.311
   64   1HA   GLY  11          2HA       GLY  11   1.694  10.082   4.599
   65   2HA   GLY  11          1HA       GLY  11   0.938  10.138   3.007
   66    H    CYS  12           H        CYS  12   2.432   7.919   1.919
   67    HA   CYS  12           HA       CYS  12   0.785   5.830   2.969
   68   1HB   CYS  12          2HB       CYS  12   2.742   6.055   0.731
   69   2HB   CYS  12          1HB       CYS  12   2.508   4.461   1.409
   70    H    SER  13           H        SER  13   4.148   6.850   3.387
   71    HA   SER  13           HA       SER  13   4.999   4.474   4.663
   72   1HB   SER  13          2HB       SER  13   6.138   7.154   5.373
   73   2HB   SER  13          1HB       SER  13   6.974   5.618   5.150
   74    HG   SER  13           HG       SER  13   7.397   6.391   3.243
   75    H    GLY  14           H        GLY  14   3.704   7.526   5.755
   76   1HA   GLY  14          2HA       GLY  14   3.545   6.596   8.519
   77   2HA   GLY  14          1HA       GLY  14   3.076   8.172   7.933
   78    H    ASP  15           H        ASP  15   1.030   8.220   6.580
   79    HA   ASP  15           HA       ASP  15  -0.956   6.610   7.951
   80   1HB   ASP  15          2HB       ASP  15  -1.370   8.706   5.828
   81   2HB   ASP  15          1HB       ASP  15  -2.617   7.946   6.811
   82    H    CYS  16           H        CYS  16  -1.056   4.662   7.284
   83    HA   CYS  16           HA       CYS  16  -0.677   3.865   4.562
   84   1HB   CYS  16          2HB       CYS  16  -0.020   2.522   6.625
   85   2HB   CYS  16          1HB       CYS  16  -1.723   2.140   6.801
   86    H    TYR  17           H        TYR  17  -2.443   5.171   3.597
   87    HA   TYR  17           HA       TYR  17  -5.117   4.505   4.314
   88   1HB   TYR  17          2HB       TYR  17  -5.604   5.636   2.019
   89   2HB   TYR  17          1HB       TYR  17  -5.066   6.606   3.368
   90    HD1  TYR  17           1HD      TYR  17  -4.216   5.207   0.151
   91    HD2  TYR  17           2HD      TYR  17  -2.857   7.664   3.312
   92    HE1  TYR  17           1HE      TYR  17  -2.453   6.063  -1.315
   93    HE2  TYR  17           2HE      TYR  17  -1.068   8.546   1.872
   94    HH   TYR  17           HH       TYR  17  -0.759   8.803  -0.720
   95    HA   PRO  18           HA       PRO  18  -6.073   0.857   2.244
   96   1HB   PRO  18          2HB       PRO  18  -8.059   2.357   0.597
   97   2HB   PRO  18          1HB       PRO  18  -8.263   0.857   1.513
   98   1HG   PRO  18          2HG       PRO  18  -9.174   3.139   2.504
   99   2HG   PRO  18          1HG       PRO  18  -8.358   1.972   3.562
  100   1HD   PRO  18          2HD       PRO  18  -7.340   4.533   2.421
  101   2HD   PRO  18          1HD       PRO  18  -7.024   3.814   4.010
  102    H    GLU  19           H        GLU  19  -5.895   3.511  -0.168
  103    HA   GLU  19           HA       GLU  19  -5.349   1.634  -2.223
  104   1HB   GLU  19          2HB       GLU  19  -5.122   4.627  -2.124
  105   2HB   GLU  19          1HB       GLU  19  -4.594   3.709  -3.516
  106   1HG   GLU  19          2HG       GLU  19  -7.320   3.204  -2.467
  107   2HG   GLU  19          1HG       GLU  19  -7.024   4.711  -3.333
  108    H    CYS  20           H        CYS  20  -3.339   2.626   0.293
  109    HA   CYS  20           HA       CYS  20  -0.885   2.807  -1.160
  110   1HB   CYS  20          2HB       CYS  20  -1.453   2.077   1.727
  111   2HB   CYS  20          1HB       CYS  20   0.164   2.226   1.069
  112    HA   PRO  21           HA       PRO  21  -0.867  -1.539  -2.265
  113   1HB   PRO  21          2HB       PRO  21   1.750  -1.665  -3.116
  114   2HB   PRO  21          1HB       PRO  21   0.393  -1.133  -4.112
  115   1HG   PRO  21          2HG       PRO  21   2.407   0.481  -2.638
  116   2HG   PRO  21          1HG       PRO  21   1.680   0.779  -4.221
  117   1HD   PRO  21          2HD       PRO  21   0.897   2.115  -2.000
  118   2HD   PRO  21          1HD       PRO  21  -0.224   1.712  -3.314
  119    HA   PRO  22           HA       PRO  22   0.802  -3.865   1.072
  120   1HB   PRO  22          2HB       PRO  22   2.309  -5.546  -0.853
  121   2HB   PRO  22          1HB       PRO  22   1.180  -6.019   0.421
  122   1HG   PRO  22          2HG       PRO  22   0.427  -6.065  -2.119
  123   2HG   PRO  22          1HG       PRO  22  -0.680  -5.499  -0.852
  124   1HD   PRO  22          2HD       PRO  22   0.897  -3.911  -2.831
  125   2HD   PRO  22          1HD       PRO  22  -0.747  -3.659  -2.225
  126    H    GLY  23           H        GLY  23   2.392  -3.811   2.407
  127   1HA   GLY  23          2HA       GLY  23   4.464  -3.419   3.374
  128   2HA   GLY  23          1HA       GLY  23   5.146  -3.994   1.866
  129    H    CYS  24           H        CYS  24   3.094  -1.283   1.582
  130    HA   CYS  24           HA       CYS  24   5.410   0.331   0.906
  131   1HB   CYS  24          2HB       CYS  24   2.614   0.438   0.185
  132   2HB   CYS  24          1HB       CYS  24   3.186   2.015   0.717
  133    H    CYS  25           H        CYS  25   2.863   0.343   3.371
  134    HA   CYS  25           HA       CYS  25   4.017   2.671   4.637
  135   1HB   CYS  25          2HB       CYS  25   2.230   2.151   6.370
  136   2HB   CYS  25          1HB       CYS  25   1.670   2.609   4.777
  137    H    GLY  26           H        GLY  26   5.132   2.714   6.560
  138   1HA   GLY  26          2HA       GLY  26   5.390   0.845   8.503
  139   2HA   GLY  26          1HA       GLY  26   6.484   0.275   7.254
  140    H    GLN  27           H        GLN  27   7.872   2.156   6.340
  141    HA   GLN  27           HA       GLN  27   9.684   3.465   6.688
  142   1HB   GLN  27          2HB       GLN  27   9.279   5.517   7.717
  143   2HB   GLN  27          1HB       GLN  27   7.720   4.987   7.108
  144   1HG   GLN  27          2HG       GLN  27   6.855   4.656   9.188
  145   2HG   GLN  27          1HG       GLN  27   8.430   4.344   9.917
  146   1HE2  GLN  27          1HE2      GLN  27   6.620   6.011  11.119
  147   2HE2  GLN  27          2HE2      GLN  27   7.190   7.638  11.059
  148    H    VAL  28           H        VAL  28   9.015   1.175   8.709
  149    HA   VAL  28           HA       VAL  28  10.068   0.082  10.369
  150    HB   VAL  28           HB       VAL  28  12.201   1.991   9.507
  151   1HG1  VAL  28          1HG1      VAL  28  12.604   1.412  11.873
  152   2HG1  VAL  28          2HG1      VAL  28  13.826   0.721  10.805
  153   3HG1  VAL  28          3HG1      VAL  28  12.537  -0.299  11.446
  154   1HG2  VAL  28          1HG2      VAL  28  11.652   0.352   7.865
  155   2HG2  VAL  28          2HG2      VAL  28  11.737  -0.944   9.059
  156   3HG2  VAL  28          3HG2      VAL  28  13.204  -0.089   8.580
  157    H    ASN  29           H        ASN  29   9.027   0.411  12.204
  158    HA   ASN  29           HA       ASN  29   8.635   1.121  14.329
  159   1HB   ASN  29          2HB       ASN  29  11.117   1.421  14.443
  160   2HB   ASN  29          1HB       ASN  29  10.895   3.086  13.918
  161   1HD2  ASN  29          1HD2      ASN  29  11.941   1.872  16.429
  162   2HD2  ASN  29          2HD2      ASN  29  11.032   2.620  17.694
  163    H    LEU  30           H        LEU  30   6.817   2.219  14.716
  164    HA   LEU  30           HA       LEU  30   6.561   4.933  13.602
  165   1HB   LEU  30          2HB       LEU  30   4.964   2.659  13.082
  166   2HB   LEU  30          1HB       LEU  30   3.997   3.732  14.073
  167    HG   LEU  30           HG       LEU  30   5.288   5.235  11.991
  168   1HD1  LEU  30          1HD1      LEU  30   4.562   2.620  11.183
  169   2HD1  LEU  30          2HD1      LEU  30   5.109   3.967  10.187
  170   3HD1  LEU  30          3HD1      LEU  30   3.389   3.745  10.498
  171   1HD2  LEU  30          1HD2      LEU  30   2.693   5.437  11.443
  172   2HD2  LEU  30          2HD2      LEU  30   3.445   6.280  12.797
  173   3HD2  LEU  30          3HD2      LEU  30   2.573   4.772  13.072
  174    H    ASN  31           H        ASN  31   4.537   3.032  15.819
  175    HA   ASN  31           HA       ASN  31   4.562   5.278  17.686
  176   1HB   ASN  31          2HB       ASN  31   2.700   3.094  17.046
  177   2HB   ASN  31          1HB       ASN  31   2.851   3.429  18.769
  178   1HD2  ASN  31          1HD2      ASN  31   0.595   4.051  18.545
  179   2HD2  ASN  31          2HD2      ASN  31   0.218   5.659  18.035
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  10.973   6.822 -17.987
    2   2H    GLY   1          2HT       GLY   1   9.783   7.670 -17.135
    3   3H    GLY   1          3HT       GLY   1  10.058   6.035 -16.800
    4   1HA   GLY   1          1HA       GLY   1  12.501   7.338 -16.491
    5   2HA   GLY   1          2HA       GLY   1  11.289   8.303 -15.660
    6    H    SER   2           H        SER   2   9.912   7.184 -14.087
    7    HA   SER   2           HA       SER   2  11.483   5.558 -12.351
    8   1HB   SER   2          2HB       SER   2   9.358   5.483 -10.981
    9   2HB   SER   2          1HB       SER   2   9.948   7.105 -11.346
   10    HG   SER   2           HG       SER   2   7.705   6.929 -11.721
   11    H    GLN   3           H        GLN   3  11.795   3.464 -12.569
   12    HA   GLN   3           HA       GLN   3   9.553   1.764 -13.368
   13   1HB   GLN   3          2HB       GLN   3  11.404   2.389 -15.221
   14   2HB   GLN   3          1HB       GLN   3  12.179   0.988 -14.494
   15   1HG   GLN   3          2HG       GLN   3  10.134  -0.322 -14.908
   16   2HG   GLN   3          1HG       GLN   3   9.424   1.082 -15.702
   17   1HE2  GLN   3          1HE2      GLN   3  11.310   2.057 -17.261
   18   2HE2  GLN   3          2HE2      GLN   3  11.851   0.898 -18.422
   19    H    ILE   4           H        ILE   4  12.363   2.282 -11.462
   20    HA   ILE   4           HA       ILE   4  12.311  -0.472 -10.504
   21    HB   ILE   4           HB       ILE   4  14.378   1.485  -9.600
   22   1HG1  ILE   4          2HG1      ILE   4  15.426  -0.011 -11.788
   23   2HG1  ILE   4          1HG1      ILE   4  13.968   0.796 -12.348
   24   1HG2  ILE   4          1HG2      ILE   4  15.235  -1.191 -10.243
   25   2HG2  ILE   4          2HG2      ILE   4  13.846  -1.205  -9.159
   26   3HG2  ILE   4          3HG2      ILE   4  15.305  -0.321  -8.711
   27   1HD1  ILE   4          1HD1      ILE   4  16.558   1.927 -11.495
   28   2HD1  ILE   4          2HD1      ILE   4  15.106   2.849 -11.098
   29   3HD1  ILE   4          3HD1      ILE   4  15.458   2.436 -12.778
   30    H    THR   5           H        THR   5  11.877   2.867  -9.534
   31    HA   THR   5           HA       THR   5  10.412   2.036  -7.205
   32    HB   THR   5           HB       THR   5  12.522   1.911  -6.150
   33    HG1  THR   5           1HG      THR   5  12.019   3.170  -4.553
   34   1HG2  THR   5          1HG2      THR   5  13.197   4.529  -7.460
   35   2HG2  THR   5          2HG2      THR   5  14.001   2.973  -7.672
   36   3HG2  THR   5          3HG2      THR   5  14.119   3.824  -6.132
   37    H    GLY   6           H        GLY   6   9.658   4.009  -5.925
   38   1HA   GLY   6          2HA       GLY   6   9.144   6.359  -5.934
   39   2HA   GLY   6          1HA       GLY   6   9.373   6.361  -7.677
   40    H    THR   7           H        THR   7   7.188   5.630  -5.061
   41    HA   THR   7           HA       THR   7   4.953   5.854  -6.846
   42    HB   THR   7           HB       THR   7   5.467   3.255  -5.392
   43    HG1  THR   7           1HG      THR   7   6.435   3.117  -7.310
   44   1HG2  THR   7          1HG2      THR   7   2.982   4.323  -5.693
   45   2HG2  THR   7          2HG2      THR   7   3.346   2.600  -5.609
   46   3HG2  THR   7          3HG2      THR   7   3.161   3.388  -7.176
   47    H    CYS   8           H        CYS   8   5.137   4.244  -3.734
   48    HA   CYS   8           HA       CYS   8   3.050   5.737  -2.651
   49   1HB   CYS   8          2HB       CYS   8   5.082   4.005  -1.303
   50   2HB   CYS   8          1HB       CYS   8   3.611   4.607  -0.569
   51    HA   PRO   9           HA       PRO   9   5.600   9.228  -1.286
   52   1HB   PRO   9          2HB       PRO   9   3.548  10.743  -0.310
   53   2HB   PRO   9          1HB       PRO   9   3.979  10.662  -2.018
   54   1HG   PRO   9          2HG       PRO   9   1.767   9.347  -0.546
   55   2HG   PRO   9          1HG       PRO   9   1.802   9.984  -2.196
   56   1HD   PRO   9          2HD       PRO   9   1.987   7.335  -1.541
   57   2HD   PRO   9          1HD       PRO   9   2.591   8.040  -3.050
   58    H    SER  10           H        SER  10   5.403  10.619   0.784
   59    HA   SER  10           HA       SER  10   6.183   9.095   2.989
   60   1HB   SER  10          2HB       SER  10   5.098  11.895   2.942
   61   2HB   SER  10          1HB       SER  10   5.947  11.162   4.302
   62    HG   SER  10           HG       SER  10   6.954  11.913   1.777
   63    H    GLY  11           H        GLY  11   3.132  10.611   2.215
   64   1HA   GLY  11          2HA       GLY  11   1.747  10.162   4.518
   65   2HA   GLY  11          1HA       GLY  11   1.002  10.145   2.920
   66    H    CYS  12           H        CYS  12   2.519   7.849   1.978
   67    HA   CYS  12           HA       CYS  12   0.835   5.821   3.073
   68   1HB   CYS  12          2HB       CYS  12   2.900   5.905   0.918
   69   2HB   CYS  12          1HB       CYS  12   2.538   4.355   1.632
   70    H    SER  13           H        SER  13   4.201   6.823   3.526
   71    HA   SER  13           HA       SER  13   5.001   4.487   4.896
   72   1HB   SER  13          2HB       SER  13   6.040   7.328   5.047
   73   2HB   SER  13          1HB       SER  13   6.832   5.944   5.799
   74    HG   SER  13           HG       SER  13   7.809   6.075   3.876
   75    H    GLY  14           H        GLY  14   3.702   7.578   5.860
   76   1HA   GLY  14          2HA       GLY  14   3.481   6.738   8.651
   77   2HA   GLY  14          1HA       GLY  14   2.994   8.282   8.001
   78    H    ASP  15           H        ASP  15   0.983   8.268   6.647
   79    HA   ASP  15           HA       ASP  15  -1.006   6.640   7.989
   80   1HB   ASP  15          2HB       ASP  15  -1.488   8.665   5.814
   81   2HB   ASP  15          1HB       ASP  15  -2.671   7.957   6.909
   82    H    CYS  16           H        CYS  16  -1.086   4.672   7.322
   83    HA   CYS  16           HA       CYS  16  -0.687   3.909   4.588
   84   1HB   CYS  16          2HB       CYS  16  -0.036   2.526   6.624
   85   2HB   CYS  16          1HB       CYS  16  -1.740   2.142   6.788
   86    H    TYR  17           H        TYR  17  -2.439   5.188   3.594
   87    HA   TYR  17           HA       TYR  17  -5.121   4.573   4.310
   88   1HB   TYR  17          2HB       TYR  17  -5.578   5.674   1.997
   89   2HB   TYR  17          1HB       TYR  17  -5.008   6.657   3.321
   90    HD1  TYR  17           1HD      TYR  17  -4.232   5.191   0.121
   91    HD2  TYR  17           2HD      TYR  17  -2.749   7.627   3.244
   92    HE1  TYR  17           1HE      TYR  17  -2.450   5.968  -1.371
   93    HE2  TYR  17           2HE      TYR  17  -0.943   8.427   1.777
   94    HH   TYR  17           HH       TYR  17  -0.903   8.429  -1.242
   95    HA   PRO  18           HA       PRO  18  -6.135   0.922   2.269
   96   1HB   PRO  18          2HB       PRO  18  -8.054   2.420   0.546
   97   2HB   PRO  18          1HB       PRO  18  -8.311   0.953   1.503
   98   1HG   PRO  18          2HG       PRO  18  -9.195   3.284   2.400
   99   2HG   PRO  18          1HG       PRO  18  -8.430   2.131   3.512
  100   1HD   PRO  18          2HD       PRO  18  -7.327   4.629   2.315
  101   2HD   PRO  18          1HD       PRO  18  -7.071   3.961   3.937
  102    H    GLU  19           H        GLU  19  -5.905   3.525  -0.183
  103    HA   GLU  19           HA       GLU  19  -5.318   1.612  -2.193
  104   1HB   GLU  19          2HB       GLU  19  -5.164   4.607  -2.145
  105   2HB   GLU  19          1HB       GLU  19  -4.513   3.697  -3.491
  106   1HG   GLU  19          2HG       GLU  19  -7.313   3.276  -2.534
  107   2HG   GLU  19          1HG       GLU  19  -6.903   4.575  -3.656
  108    H    CYS  20           H        CYS  20  -3.346   2.626   0.333
  109    HA   CYS  20           HA       CYS  20  -0.878   2.802  -1.108
  110   1HB   CYS  20          2HB       CYS  20  -1.474   2.114   1.783
  111   2HB   CYS  20          1HB       CYS  20   0.153   2.204   1.140
  112    HA   PRO  21           HA       PRO  21  -0.875  -1.567  -2.202
  113   1HB   PRO  21          2HB       PRO  21   1.749  -1.674  -3.052
  114   2HB   PRO  21          1HB       PRO  21   0.382  -1.180  -4.053
  115   1HG   PRO  21          2HG       PRO  21   2.395   0.478  -2.648
  116   2HG   PRO  21          1HG       PRO  21   1.612   0.755  -4.205
  117   1HD   PRO  21          2HD       PRO  21   0.898   2.088  -1.947
  118   2HD   PRO  21          1HD       PRO  21  -0.243   1.707  -3.248
  119    HA   PRO  22           HA       PRO  22   0.918  -3.865   1.061
  120   1HB   PRO  22          2HB       PRO  22   2.330  -5.863  -0.153
  121   2HB   PRO  22          1HB       PRO  22   0.568  -5.843   0.002
  122   1HG   PRO  22          2HG       PRO  22   2.275  -5.002  -2.308
  123   2HG   PRO  22          1HG       PRO  22   0.802  -5.994  -2.315
  124   1HD   PRO  22          2HD       PRO  22   0.692  -3.416  -2.969
  125   2HD   PRO  22          1HD       PRO  22  -0.582  -4.147  -1.973
  126    H    GLY  23           H        GLY  23   2.539  -3.836   2.362
  127   1HA   GLY  23          2HA       GLY  23   4.632  -3.434   3.277
  128   2HA   GLY  23          1HA       GLY  23   5.282  -3.995   1.747
  129    H    CYS  24           H        CYS  24   3.157  -1.331   1.499
  130    HA   CYS  24           HA       CYS  24   5.419   0.336   0.772
  131   1HB   CYS  24          2HB       CYS  24   2.600   0.373   0.122
  132   2HB   CYS  24          1HB       CYS  24   3.145   1.963   0.646
  133    H    CYS  25           H        CYS  25   2.856   0.354   3.233
  134    HA   CYS  25           HA       CYS  25   4.039   2.659   4.505
  135   1HB   CYS  25          2HB       CYS  25   2.204   2.264   6.171
  136   2HB   CYS  25          1HB       CYS  25   1.669   2.592   4.537
  137    H    GLY  26           H        GLY  26   4.932   2.691   6.592
  138   1HA   GLY  26          2HA       GLY  26   5.228   1.007   8.568
  139   2HA   GLY  26          1HA       GLY  26   6.133   0.128   7.345
  140    H    GLN  27           H        GLN  27   7.750   1.604   6.154
  141    HA   GLN  27           HA       GLN  27   9.798   2.563   6.270
  142   1HB   GLN  27          2HB       GLN  27   9.795   4.810   6.825
  143   2HB   GLN  27          1HB       GLN  27   8.123   4.471   6.416
  144   1HG   GLN  27          2HG       GLN  27   7.552   5.414   8.333
  145   2HG   GLN  27          1HG       GLN  27   8.271   4.028   9.148
  146   1HE2  GLN  27          1HE2      GLN  27   8.329   5.999  10.703
  147   2HE2  GLN  27          2HE2      GLN  27   9.838   6.838  10.746
  148    H    VAL  28           H        VAL  28   8.835   0.840   8.698
  149    HA   VAL  28           HA       VAL  28  11.217   1.414  10.312
  150    HB   VAL  28           HB       VAL  28   9.281   2.159  11.561
  151   1HG1  VAL  28          1HG1      VAL  28   7.762   0.220  12.446
  152   2HG1  VAL  28          2HG1      VAL  28   8.232  -0.559  10.938
  153   3HG1  VAL  28          3HG1      VAL  28   7.413   0.998  10.903
  154   1HG2  VAL  28          1HG2      VAL  28  11.202   0.264  12.437
  155   2HG2  VAL  28          2HG2      VAL  28   9.694  -0.037  13.300
  156   3HG2  VAL  28          3HG2      VAL  28  10.436   1.562  13.353
  157    H    ASN  29           H        ASN  29  12.186  -0.181   8.949
  158    HA   ASN  29           HA       ASN  29  11.665  -2.885   9.898
  159   1HB   ASN  29          2HB       ASN  29  11.170  -1.978   7.271
  160   2HB   ASN  29          1HB       ASN  29  12.603  -2.997   7.184
  161   1HD2  ASN  29          1HD2      ASN  29   9.557  -3.176   6.551
  162   2HD2  ASN  29          2HD2      ASN  29   9.154  -4.761   7.106
  163    H    LEU  30           H        LEU  30  13.524  -1.670  11.188
  164    HA   LEU  30           HA       LEU  30  15.924  -3.045  10.524
  165   1HB   LEU  30          2HB       LEU  30  16.022  -1.101   8.969
  166   2HB   LEU  30          1HB       LEU  30  16.010  -0.037  10.361
  167    HG   LEU  30           HG       LEU  30  18.131  -1.253  11.112
  168   1HD1  LEU  30          1HD1      LEU  30  18.415  -3.143   9.883
  169   2HD1  LEU  30          2HD1      LEU  30  19.338  -2.026   8.878
  170   3HD1  LEU  30          3HD1      LEU  30  17.683  -2.448   8.437
  171   1HD2  LEU  30          1HD2      LEU  30  18.419   0.938  10.407
  172   2HD2  LEU  30          2HD2      LEU  30  17.930   0.575   8.751
  173   3HD2  LEU  30          3HD2      LEU  30  19.499   0.033   9.348
  174    H    ASN  31           H        ASN  31  15.748  -3.838  12.611
  175    HA   ASN  31           HA       ASN  31  16.128  -3.919  14.854
  176   1HB   ASN  31          2HB       ASN  31  17.707  -1.601  13.940
  177   2HB   ASN  31          1HB       ASN  31  17.325  -1.604  15.658
  178   1HD2  ASN  31          1HD2      ASN  31  19.891  -1.750  14.988
  179   2HD2  ASN  31          2HD2      ASN  31  20.521  -3.337  15.250
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  18.103  16.372 -14.880
    2   2H    GLY   1          2HT       GLY   1  18.015  16.369 -13.193
    3   3H    GLY   1          3HT       GLY   1  17.509  17.727 -14.061
    4   1HA   GLY   1          1HA       GLY   1  15.559  16.787 -14.744
    5   2HA   GLY   1          2HA       GLY   1  16.209  15.161 -14.620
    6    H    SER   2           H        SER   2  17.258  15.550 -11.908
    7    HA   SER   2           HA       SER   2  16.605  15.331  -9.741
    8   1HB   SER   2          2HB       SER   2  14.818  17.358 -10.818
    9   2HB   SER   2          1HB       SER   2  14.036  16.413  -9.551
   10    HG   SER   2           HG       SER   2  16.585  17.632  -9.302
   11    H    GLN   3           H        GLN   3  16.066  13.399  -8.986
   12    HA   GLN   3           HA       GLN   3  13.489  12.238  -9.761
   13   1HB   GLN   3          2HB       GLN   3  15.592  11.348 -11.058
   14   2HB   GLN   3          1HB       GLN   3  15.881  10.451  -9.574
   15   1HG   GLN   3          2HG       GLN   3  13.168  10.315 -10.761
   16   2HG   GLN   3          1HG       GLN   3  14.472   9.457 -11.578
   17   1HE2  GLN   3          1HE2      GLN   3  13.566   7.457 -11.105
   18   2HE2  GLN   3          2HE2      GLN   3  13.608   6.780  -9.516
   19    H    ILE   4           H        ILE   4  12.408  12.036  -7.929
   20    HA   ILE   4           HA       ILE   4  13.687  10.756  -5.656
   21    HB   ILE   4           HB       ILE   4  11.856  12.458  -4.491
   22   1HG1  ILE   4          2HG1      ILE   4  11.825  13.812  -6.598
   23   2HG1  ILE   4          1HG1      ILE   4  12.318  14.700  -5.168
   24   1HG2  ILE   4          1HG2      ILE   4  14.798  12.256  -4.596
   25   2HG2  ILE   4          2HG2      ILE   4  13.701  12.130  -3.223
   26   3HG2  ILE   4          3HG2      ILE   4  14.119  13.714  -3.874
   27   1HD1  ILE   4          1HD1      ILE   4  14.246  15.248  -6.083
   28   2HD1  ILE   4          2HD1      ILE   4  13.644  14.570  -7.594
   29   3HD1  ILE   4          3HD1      ILE   4  14.601  13.573  -6.498
   30    H    THR   5           H        THR   5  10.716  11.922  -7.133
   31    HA   THR   5           HA       THR   5   8.844  10.469  -5.686
   32    HB   THR   5           HB       THR   5   7.692  10.555  -8.145
   33    HG1  THR   5           1HG      THR   5   8.649  11.929  -9.424
   34   1HG2  THR   5          1HG2      THR   5   6.430  12.107  -7.203
   35   2HG2  THR   5          2HG2      THR   5   7.779  13.240  -7.120
   36   3HG2  THR   5          3HG2      THR   5   7.528  12.070  -5.824
   37    H    GLY   6           H        GLY   6   7.544   8.593  -6.415
   38   1HA   GLY   6          2HA       GLY   6   8.761   6.743  -8.265
   39   2HA   GLY   6          1HA       GLY   6   8.886   6.253  -6.582
   40    H    THR   7           H        THR   7   6.778   6.279  -5.354
   41    HA   THR   7           HA       THR   7   4.378   6.006  -6.878
   42    HB   THR   7           HB       THR   7   5.515   3.532  -5.557
   43    HG1  THR   7           1HG      THR   7   5.495   2.733  -7.669
   44   1HG2  THR   7          1HG2      THR   7   3.268   3.176  -5.228
   45   2HG2  THR   7          2HG2      THR   7   3.479   2.533  -6.856
   46   3HG2  THR   7          3HG2      THR   7   2.805   4.145  -6.627
   47    H    CYS   8           H        CYS   8   5.056   4.332  -3.881
   48    HA   CYS   8           HA       CYS   8   2.937   5.592  -2.547
   49   1HB   CYS   8          2HB       CYS   8   5.153   4.078  -1.220
   50   2HB   CYS   8          1HB       CYS   8   3.488   4.262  -0.708
   51    HA   PRO   9           HA       PRO   9   5.518   9.115  -1.308
   52   1HB   PRO   9          2HB       PRO   9   3.504  10.677  -0.356
   53   2HB   PRO   9          1HB       PRO   9   3.903  10.539  -2.069
   54   1HG   PRO   9          2HG       PRO   9   1.697   9.299  -0.523
   55   2HG   PRO   9          1HG       PRO   9   1.715   9.882  -2.193
   56   1HD   PRO   9          2HD       PRO   9   1.891   7.245  -1.442
   57   2HD   PRO   9          1HD       PRO   9   2.446   7.889  -2.994
   58    H    SER  10           H        SER  10   5.399  10.532   0.730
   59    HA   SER  10           HA       SER  10   6.162   9.035   2.952
   60   1HB   SER  10          2HB       SER  10   5.200  11.875   2.754
   61   2HB   SER  10          1HB       SER  10   5.886  11.181   4.222
   62    HG   SER  10           HG       SER  10   7.145  12.094   1.982
   63    H    GLY  11           H        GLY  11   3.154  10.603   2.177
   64   1HA   GLY  11          2HA       GLY  11   1.752  10.229   4.496
   65   2HA   GLY  11          1HA       GLY  11   1.003  10.208   2.900
   66    H    CYS  12           H        CYS  12   2.522   7.873   2.015
   67    HA   CYS  12           HA       CYS  12   0.780   5.870   3.069
   68   1HB   CYS  12          2HB       CYS  12   2.933   5.926   0.997
   69   2HB   CYS  12          1HB       CYS  12   2.535   4.384   1.710
   70    H    SER  13           H        SER  13   4.151   6.811   3.556
   71    HA   SER  13           HA       SER  13   4.928   4.512   4.973
   72   1HB   SER  13          2HB       SER  13   5.920   7.360   5.205
   73   2HB   SER  13          1HB       SER  13   6.762   5.928   5.775
   74    HG   SER  13           HG       SER  13   7.581   6.486   3.768
   75    H    GLY  14           H        GLY  14   3.742   7.653   5.916
   76   1HA   GLY  14          2HA       GLY  14   3.489   6.860   8.709
   77   2HA   GLY  14          1HA       GLY  14   3.034   8.403   8.029
   78    H    ASP  15           H        ASP  15   1.060   8.357   6.599
   79    HA   ASP  15           HA       ASP  15  -0.993   6.835   7.973
   80   1HB   ASP  15          2HB       ASP  15  -1.341   8.785   5.703
   81   2HB   ASP  15          1HB       ASP  15  -2.601   8.121   6.739
   82    H    CYS  16           H        CYS  16  -1.085   4.844   7.408
   83    HA   CYS  16           HA       CYS  16  -0.647   3.929   4.724
   84   1HB   CYS  16          2HB       CYS  16  -0.003   2.622   6.799
   85   2HB   CYS  16          1HB       CYS  16  -1.717   2.268   6.997
   86    H    TYR  17           H        TYR  17  -2.369   5.155   3.646
   87    HA   TYR  17           HA       TYR  17  -5.062   4.535   4.353
   88   1HB   TYR  17          2HB       TYR  17  -5.539   5.558   2.028
   89   2HB   TYR  17          1HB       TYR  17  -4.966   6.596   3.309
   90    HD1  TYR  17           1HD      TYR  17  -4.267   5.108   0.117
   91    HD2  TYR  17           2HD      TYR  17  -2.661   7.521   3.202
   92    HE1  TYR  17           1HE      TYR  17  -2.527   5.875  -1.427
   93    HE2  TYR  17           2HE      TYR  17  -0.898   8.308   1.681
   94    HH   TYR  17           HH       TYR  17  -0.051   8.210  -0.379
   95    HA   PRO  18           HA       PRO  18  -5.872   0.759   2.445
   96   1HB   PRO  18          2HB       PRO  18  -7.967   2.056   0.773
   97   2HB   PRO  18          1HB       PRO  18  -8.081   0.635   1.819
   98   1HG   PRO  18          2HG       PRO  18  -9.068   2.962   2.625
   99   2HG   PRO  18          1HG       PRO  18  -8.198   1.913   3.762
  100   1HD   PRO  18          2HD       PRO  18  -7.273   4.398   2.386
  101   2HD   PRO  18          1HD       PRO  18  -6.937   3.842   4.037
  102    H    GLU  19           H        GLU  19  -5.880   3.330  -0.049
  103    HA   GLU  19           HA       GLU  19  -5.273   1.417  -2.073
  104   1HB   GLU  19          2HB       GLU  19  -5.316   4.417  -2.067
  105   2HB   GLU  19          1HB       GLU  19  -4.686   3.523  -3.432
  106   1HG   GLU  19          2HG       GLU  19  -7.453   3.285  -2.284
  107   2HG   GLU  19          1HG       GLU  19  -7.008   4.132  -3.767
  108    H    CYS  20           H        CYS  20  -3.298   2.540   0.366
  109    HA   CYS  20           HA       CYS  20  -0.898   3.007  -1.083
  110   1HB   CYS  20          2HB       CYS  20  -1.488   2.197   1.753
  111   2HB   CYS  20          1HB       CYS  20   0.164   2.263   1.164
  112    HA   PRO  21           HA       PRO  21  -0.305  -1.220  -2.669
  113   1HB   PRO  21          2HB       PRO  21   2.539  -0.323  -2.371
  114   2HB   PRO  21          1HB       PRO  21   1.775  -1.209  -3.698
  115   1HG   PRO  21          2HG       PRO  21   2.232   1.382  -3.942
  116   2HG   PRO  21          1HG       PRO  21   0.718   0.683  -4.527
  117   1HD   PRO  21          2HD       PRO  21   1.199   2.365  -2.117
  118   2HD   PRO  21          1HD       PRO  21  -0.231   2.231  -3.162
  119    HA   PRO  22           HA       PRO  22   0.711  -3.654   0.865
  120   1HB   PRO  22          2HB       PRO  22   1.908  -5.821  -0.222
  121   2HB   PRO  22          1HB       PRO  22   0.174  -5.512  -0.376
  122   1HG   PRO  22          2HG       PRO  22   2.379  -4.923  -2.317
  123   2HG   PRO  22          1HG       PRO  22   0.799  -5.675  -2.621
  124   1HD   PRO  22          2HD       PRO  22   1.244  -3.078  -3.141
  125   2HD   PRO  22          1HD       PRO  22  -0.320  -3.647  -2.525
  126    H    GLY  23           H        GLY  23   2.243  -3.825   2.306
  127   1HA   GLY  23          2HA       GLY  23   4.300  -3.604   3.364
  128   2HA   GLY  23          1HA       GLY  23   4.990  -4.264   1.890
  129    H    CYS  24           H        CYS  24   3.171  -1.455   1.404
  130    HA   CYS  24           HA       CYS  24   5.605   0.014   0.822
  131   1HB   CYS  24          2HB       CYS  24   2.970   0.124  -0.230
  132   2HB   CYS  24          1HB       CYS  24   3.345   1.713   0.435
  133    H    CYS  25           H        CYS  25   2.881   0.298   3.082
  134    HA   CYS  25           HA       CYS  25   4.085   2.619   4.314
  135   1HB   CYS  25          2HB       CYS  25   2.129   2.628   5.721
  136   2HB   CYS  25          1HB       CYS  25   1.651   2.445   4.052
  137    H    GLY  26           H        GLY  26   4.881   2.700   6.410
  138   1HA   GLY  26          2HA       GLY  26   5.120   1.476   8.563
  139   2HA   GLY  26          1HA       GLY  26   5.461   0.052   7.594
  140    H    GLN  27           H        GLN  27   7.323   0.454   5.978
  141    HA   GLN  27           HA       GLN  27   9.675   0.678   7.388
  142   1HB   GLN  27          2HB       GLN  27  10.767   1.040   5.111
  143   2HB   GLN  27          1HB       GLN  27   9.814  -0.423   5.320
  144   1HG   GLN  27          2HG       GLN  27   7.912   0.733   4.212
  145   2HG   GLN  27          1HG       GLN  27   8.987   2.094   3.894
  146   1HE2  GLN  27          1HE2      GLN  27  11.029   1.514   2.734
  147   2HE2  GLN  27          2HE2      GLN  27  10.909   0.359   1.455
  148    H    VAL  28           H        VAL  28   7.793   3.138   5.989
  149    HA   VAL  28           HA       VAL  28   8.137   5.368   5.615
  150    HB   VAL  28           HB       VAL  28   7.273   5.269   7.864
  151   1HG1  VAL  28          1HG1      VAL  28  10.119   5.249   8.842
  152   2HG1  VAL  28          2HG1      VAL  28   9.060   3.841   8.808
  153   3HG1  VAL  28          3HG1      VAL  28   8.655   5.225   9.821
  154   1HG2  VAL  28          1HG2      VAL  28   9.309   7.344   8.282
  155   2HG2  VAL  28          2HG2      VAL  28   7.550   7.465   8.241
  156   3HG2  VAL  28          3HG2      VAL  28   8.465   7.417   6.734
  157    H    ASN  29           H        ASN  29   9.732   5.519   4.141
  158    HA   ASN  29           HA       ASN  29  12.219   6.608   5.144
  159   1HB   ASN  29          2HB       ASN  29  12.140   3.980   4.288
  160   2HB   ASN  29          1HB       ASN  29  12.714   4.848   2.868
  161   1HD2  ASN  29          1HD2      ASN  29  14.337   3.054   4.074
  162   2HD2  ASN  29          2HD2      ASN  29  15.633   3.865   4.879
  163    H    LEU  30           H        LEU  30  13.392   7.856   3.578
  164    HA   LEU  30           HA       LEU  30  11.883   8.552   1.156
  165   1HB   LEU  30          2HB       LEU  30  12.388  10.234   3.476
  166   2HB   LEU  30          1HB       LEU  30  13.016  10.951   2.006
  167    HG   LEU  30           HG       LEU  30  10.289   9.928   1.714
  168   1HD1  LEU  30          1HD1      LEU  30   9.862  10.581   3.912
  169   2HD1  LEU  30          2HD1      LEU  30   9.391  11.984   2.952
  170   3HD1  LEU  30          3HD1      LEU  30  10.934  11.978   3.804
  171   1HD2  LEU  30          1HD2      LEU  30  11.001  11.258  -0.033
  172   2HD2  LEU  30          2HD2      LEU  30  11.851  12.379   1.030
  173   3HD2  LEU  30          3HD2      LEU  30  10.091  12.408   0.946
  174    H    ASN  31           H        ASN  31  13.925   6.878   0.945
  175    HA   ASN  31           HA       ASN  31  15.895   6.507  -0.127
  176   1HB   ASN  31          2HB       ASN  31  14.750   8.636  -1.443
  177   2HB   ASN  31          1HB       ASN  31  16.346   9.259  -1.037
  178   1HD2  ASN  31          1HD2      ASN  31  16.182   9.181  -3.527
  179   2HD2  ASN  31          2HD2      ASN  31  16.860   7.773  -4.263
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  12.172  10.788  -1.726
    2   2H    GLY   1          2HT       GLY   1  12.950  11.880  -2.757
    3   3H    GLY   1          3HT       GLY   1  13.625  11.511  -1.250
    4   1HA   GLY   1          1HA       GLY   1  13.312   9.082  -2.518
    5   2HA   GLY   1          2HA       GLY   1  13.943  10.177  -3.738
    6    H    SER   2           H        SER   2  14.492   9.807  -0.247
    7    HA   SER   2           HA       SER   2  17.237   9.014  -0.695
    8   1HB   SER   2          2HB       SER   2  18.210  10.864   0.599
    9   2HB   SER   2          1HB       SER   2  17.379  11.465  -0.835
   10    HG   SER   2           HG       SER   2  16.735  12.737   0.848
   11    H    GLN   3           H        GLN   3  14.501   9.484   1.362
   12    HA   GLN   3           HA       GLN   3  15.670   7.636   3.306
   13   1HB   GLN   3          2HB       GLN   3  15.564  10.229   3.920
   14   2HB   GLN   3          1HB       GLN   3  13.920   9.797   4.365
   15   1HG   GLN   3          2HG       GLN   3  14.731   9.180   6.328
   16   2HG   GLN   3          1HG       GLN   3  15.460   7.804   5.503
   17   1HE2  GLN   3          1HE2      GLN   3  16.294  11.241   5.355
   18   2HE2  GLN   3          2HE2      GLN   3  17.908  11.055   5.941
   19    H    ILE   4           H        ILE   4  12.903   8.863   1.607
   20    HA   ILE   4           HA       ILE   4  10.787   7.709   2.938
   21    HB   ILE   4           HB       ILE   4  10.849   9.315   0.946
   22   1HG1  ILE   4          2HG1      ILE   4   8.631   8.596   0.146
   23   2HG1  ILE   4          1HG1      ILE   4   8.846   7.065   0.973
   24   1HG2  ILE   4          1HG2      ILE   4  10.269   7.436  -1.078
   25   2HG2  ILE   4          2HG2      ILE   4  11.811   6.979  -0.357
   26   3HG2  ILE   4          3HG2      ILE   4  11.587   8.602  -1.002
   27   1HD1  ILE   4          1HD1      ILE   4   7.991   7.958   2.799
   28   2HD1  ILE   4          2HD1      ILE   4   7.862   9.520   1.992
   29   3HD1  ILE   4          3HD1      ILE   4   9.340   9.092   2.857
   30    H    THR   5           H        THR   5   9.439   5.907   1.593
   31    HA   THR   5           HA       THR   5  10.821   3.471   2.014
   32    HB   THR   5           HB       THR   5   8.675   2.519   0.955
   33    HG1  THR   5           1HG      THR   5   7.589   5.055   1.429
   34   1HG2  THR   5          1HG2      THR   5   9.046   2.713   3.407
   35   2HG2  THR   5          2HG2      THR   5   7.361   2.848   2.910
   36   3HG2  THR   5          3HG2      THR   5   8.268   4.294   3.345
   37    H    GLY   6           H        GLY   6   9.974   5.362  -0.759
   38   1HA   GLY   6          2HA       GLY   6  11.703   5.069  -2.596
   39   2HA   GLY   6          1HA       GLY   6  11.266   3.369  -2.511
   40    H    THR   7           H        THR   7   8.794   3.009  -2.727
   41    HA   THR   7           HA       THR   7   8.039   4.265  -5.213
   42    HB   THR   7           HB       THR   7   6.551   2.125  -3.699
   43    HG1  THR   7           1HG      THR   7   7.716   0.831  -5.424
   44   1HG2  THR   7          1HG2      THR   7   5.951   1.483  -6.108
   45   2HG2  THR   7          2HG2      THR   7   6.416   3.137  -6.507
   46   3HG2  THR   7          3HG2      THR   7   5.107   2.841  -5.363
   47    H    CYS   8           H        CYS   8   6.099   3.511  -2.348
   48    HA   CYS   8           HA       CYS   8   4.160   5.423  -2.932
   49   1HB   CYS   8          2HB       CYS   8   4.794   3.748  -0.538
   50   2HB   CYS   8          1HB       CYS   8   3.432   4.848  -0.550
   51    HA   PRO   9           HA       PRO   9   5.817   9.157  -1.189
   52   1HB   PRO   9          2HB       PRO   9   3.461  10.380  -0.444
   53   2HB   PRO   9          1HB       PRO   9   4.145  10.406  -2.071
   54   1HG   PRO   9          2HG       PRO   9   1.983   8.710  -0.942
   55   2HG   PRO   9          1HG       PRO   9   2.113   9.444  -2.546
   56   1HD   PRO   9          2HD       PRO   9   2.588   6.842  -2.120
   57   2HD   PRO   9          1HD       PRO   9   3.470   7.773  -3.348
   58    H    SER  10           H        SER  10   5.320  10.595   0.746
   59    HA   SER  10           HA       SER  10   6.057   9.284   3.080
   60   1HB   SER  10          2HB       SER  10   4.899  12.009   2.633
   61   2HB   SER  10          1HB       SER  10   5.426  11.442   4.217
   62    HG   SER  10           HG       SER  10   7.131  12.530   3.280
   63    H    GLY  11           H        GLY  11   2.926  10.669   2.237
   64   1HA   GLY  11          2HA       GLY  11   1.577  10.142   4.533
   65   2HA   GLY  11          1HA       GLY  11   0.821  10.126   2.941
   66    H    CYS  12           H        CYS  12   2.343   7.898   1.940
   67    HA   CYS  12           HA       CYS  12   0.739   5.818   3.053
   68   1HB   CYS  12          2HB       CYS  12   2.712   6.006   0.821
   69   2HB   CYS  12          1HB       CYS  12   2.433   4.427   1.515
   70    H    SER  13           H        SER  13   4.067   6.931   3.449
   71    HA   SER  13           HA       SER  13   4.985   4.595   4.753
   72   1HB   SER  13          2HB       SER  13   6.000   7.398   5.248
   73   2HB   SER  13          1HB       SER  13   6.888   5.884   5.410
   74    HG   SER  13           HG       SER  13   5.818   6.721   2.932
   75    H    GLY  14           H        GLY  14   3.618   7.632   5.808
   76   1HA   GLY  14          2HA       GLY  14   3.484   6.728   8.580
   77   2HA   GLY  14          1HA       GLY  14   2.958   8.277   7.975
   78    H    ASP  15           H        ASP  15   0.910   8.251   6.647
   79    HA   ASP  15           HA       ASP  15  -1.016   6.573   8.020
   80   1HB   ASP  15          2HB       ASP  15  -1.507   8.675   5.919
   81   2HB   ASP  15          1HB       ASP  15  -2.725   7.866   6.898
   82    H    CYS  16           H        CYS  16  -1.092   4.627   7.343
   83    HA   CYS  16           HA       CYS  16  -0.719   3.863   4.605
   84   1HB   CYS  16          2HB       CYS  16  -0.010   2.500   6.637
   85   2HB   CYS  16          1HB       CYS  16  -1.704   2.088   6.830
   86    H    TYR  17           H        TYR  17  -2.508   5.141   3.668
   87    HA   TYR  17           HA       TYR  17  -5.169   4.461   4.419
   88   1HB   TYR  17          2HB       TYR  17  -5.682   5.585   2.118
   89   2HB   TYR  17          1HB       TYR  17  -5.152   6.561   3.466
   90    HD1  TYR  17           1HD      TYR  17  -4.303   5.177   0.240
   91    HD2  TYR  17           2HD      TYR  17  -2.946   7.629   3.406
   92    HE1  TYR  17           1HE      TYR  17  -2.547   6.042  -1.224
   93    HE2  TYR  17           2HE      TYR  17  -1.161   8.522   1.968
   94    HH   TYR  17           HH       TYR  17  -0.557   7.211  -1.233
   95    HA   PRO  18           HA       PRO  18  -6.124   0.813   2.343
   96   1HB   PRO  18          2HB       PRO  18  -8.120   2.303   0.702
   97   2HB   PRO  18          1HB       PRO  18  -8.316   0.803   1.620
   98   1HG   PRO  18          2HG       PRO  18  -9.238   3.079   2.609
   99   2HG   PRO  18          1HG       PRO  18  -8.414   1.918   3.668
  100   1HD   PRO  18          2HD       PRO  18  -7.411   4.483   2.523
  101   2HD   PRO  18          1HD       PRO  18  -7.090   3.767   4.113
  102    H    GLU  19           H        GLU  19  -6.009   3.472  -0.067
  103    HA   GLU  19           HA       GLU  19  -5.432   1.614  -2.126
  104   1HB   GLU  19          2HB       GLU  19  -5.323   4.609  -2.007
  105   2HB   GLU  19          1HB       GLU  19  -4.689   3.744  -3.390
  106   1HG   GLU  19          2HG       GLU  19  -7.505   3.667  -2.347
  107   2HG   GLU  19          1HG       GLU  19  -6.939   4.434  -3.832
  108    H    CYS  20           H        CYS  20  -3.423   2.608   0.382
  109    HA   CYS  20           HA       CYS  20  -0.995   2.875  -1.098
  110   1HB   CYS  20          2HB       CYS  20  -1.537   2.095   1.778
  111   2HB   CYS  20          1HB       CYS  20   0.081   2.231   1.119
  112    HA   PRO  21           HA       PRO  21  -0.901  -1.448  -2.326
  113   1HB   PRO  21          2HB       PRO  21   1.783  -1.446  -3.086
  114   2HB   PRO  21          1HB       PRO  21   0.408  -1.094  -4.132
  115   1HG   PRO  21          2HG       PRO  21   2.306   0.743  -2.840
  116   2HG   PRO  21          1HG       PRO  21   1.405   0.943  -4.338
  117   1HD   PRO  21          2HD       PRO  21   0.774   2.233  -2.008
  118   2HD   PRO  21          1HD       PRO  21  -0.398   1.852  -3.281
  119    HA   PRO  22           HA       PRO  22   0.798  -3.774   0.959
  120   1HB   PRO  22          2HB       PRO  22   2.193  -5.779  -0.271
  121   2HB   PRO  22          1HB       PRO  22   0.433  -5.741  -0.109
  122   1HG   PRO  22          2HG       PRO  22   2.138  -4.909  -2.420
  123   2HG   PRO  22          1HG       PRO  22   0.648  -5.874  -2.427
  124   1HD   PRO  22          2HD       PRO  22   0.580  -3.293  -3.065
  125   2HD   PRO  22          1HD       PRO  22  -0.703  -4.005  -2.065
  126    H    GLY  23           H        GLY  23   2.415  -3.790   2.272
  127   1HA   GLY  23          2HA       GLY  23   4.506  -3.415   3.206
  128   2HA   GLY  23          1HA       GLY  23   5.160  -3.967   1.673
  129    H    CYS  24           H        CYS  24   3.055  -1.287   1.498
  130    HA   CYS  24           HA       CYS  24   5.293   0.389   0.728
  131   1HB   CYS  24          2HB       CYS  24   2.432   0.453   0.229
  132   2HB   CYS  24          1HB       CYS  24   3.066   2.034   0.661
  133    H    CYS  25           H        CYS  25   2.840   0.357   3.289
  134    HA   CYS  25           HA       CYS  25   3.994   2.710   4.502
  135   1HB   CYS  25          2HB       CYS  25   2.250   2.200   6.274
  136   2HB   CYS  25          1HB       CYS  25   1.652   2.616   4.684
  137    H    GLY  26           H        GLY  26   5.162   2.818   6.353
  138   1HA   GLY  26          2HA       GLY  26   5.546   0.576   8.069
  139   2HA   GLY  26          1HA       GLY  26   6.926   0.838   7.012
  140    H    GLN  27           H        GLN  27   4.744   2.686   9.105
  141    HA   GLN  27           HA       GLN  27   6.613   4.758   9.607
  142   1HB   GLN  27          2HB       GLN  27   5.032   5.569  11.243
  143   2HB   GLN  27          1HB       GLN  27   4.165   5.029   9.814
  144   1HG   GLN  27          2HG       GLN  27   4.352   2.828  11.583
  145   2HG   GLN  27          1HG       GLN  27   3.822   4.229  12.513
  146   1HE2  GLN  27          1HE2      GLN  27   1.725   4.594  12.538
  147   2HE2  GLN  27          2HE2      GLN  27   0.580   4.051  11.364
  148    H    VAL  28           H        VAL  28   6.673   1.642  10.640
  149    HA   VAL  28           HA       VAL  28   8.401   2.339  12.900
  150    HB   VAL  28           HB       VAL  28   6.413   0.067  12.987
  151   1HG1  VAL  28          1HG1      VAL  28   7.474   0.922  15.521
  152   2HG1  VAL  28          2HG1      VAL  28   8.781   0.500  14.415
  153   3HG1  VAL  28          3HG1      VAL  28   7.514  -0.673  14.770
  154   1HG2  VAL  28          1HG2      VAL  28   4.865   1.447  13.787
  155   2HG2  VAL  28          2HG2      VAL  28   5.918   2.803  13.387
  156   3HG2  VAL  28          3HG2      VAL  28   5.987   2.080  14.991
  157    H    ASN  29           H        ASN  29  10.103   1.935  11.370
  158    HA   ASN  29           HA       ASN  29  10.418  -0.608  10.130
  159   1HB   ASN  29          2HB       ASN  29  11.464   1.542   9.304
  160   2HB   ASN  29          1HB       ASN  29  12.612   1.409  10.634
  161   1HD2  ASN  29          1HD2      ASN  29  14.383   1.185   9.333
  162   2HD2  ASN  29          2HD2      ASN  29  14.684  -0.228   8.387
  163    H    LEU  30           H        LEU  30  11.649  -2.358  10.718
  164    HA   LEU  30           HA       LEU  30  12.463  -2.435  13.534
  165   1HB   LEU  30          2HB       LEU  30  11.948  -4.640  11.539
  166   2HB   LEU  30          1HB       LEU  30  12.539  -4.914  13.165
  167    HG   LEU  30           HG       LEU  30  10.402  -3.670  13.928
  168   1HD1  LEU  30          1HD1      LEU  30   8.939  -4.672  11.640
  169   2HD1  LEU  30          2HD1      LEU  30  10.070  -3.398  11.186
  170   3HD1  LEU  30          3HD1      LEU  30   8.860  -3.099  12.432
  171   1HD2  LEU  30          1HD2      LEU  30  10.881  -6.429  13.124
  172   2HD2  LEU  30          2HD2      LEU  30   9.170  -6.003  13.133
  173   3HD2  LEU  30          3HD2      LEU  30  10.139  -5.787  14.589
  174    H    ASN  31           H        ASN  31  14.118  -1.077  11.645
  175    HA   ASN  31           HA       ASN  31  16.567  -2.605  12.030
  176   1HB   ASN  31          2HB       ASN  31  15.408  -2.854   9.624
  177   2HB   ASN  31          1HB       ASN  31  16.289  -1.356   9.347
  178   1HD2  ASN  31          1HD2      ASN  31  18.609  -1.394   9.851
  179   2HD2  ASN  31          2HD2      ASN  31  19.490  -2.849   9.548
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  12.352  14.466 -13.300
    2   2H    GLY   1          2HT       GLY   1  13.555  13.290 -13.117
    3   3H    GLY   1          3HT       GLY   1  13.959  14.832 -13.685
    4   1HA   GLY   1          1HA       GLY   1  14.236  15.615 -11.648
    5   2HA   GLY   1          2HA       GLY   1  12.632  15.055 -11.200
    6    H    SER   2           H        SER   2  15.038  15.061  -9.589
    7    HA   SER   2           HA       SER   2  15.723  12.232  -9.361
    8   1HB   SER   2          2HB       SER   2  17.095  13.472  -7.345
    9   2HB   SER   2          1HB       SER   2  17.717  13.237  -8.978
   10    HG   SER   2           HG       SER   2  16.601  15.543  -7.814
   11    H    GLN   3           H        GLN   3  14.537  10.967  -8.113
   12    HA   GLN   3           HA       GLN   3  13.566  11.998  -5.552
   13   1HB   GLN   3          2HB       GLN   3  11.767  12.078  -7.374
   14   2HB   GLN   3          1HB       GLN   3  11.784  10.321  -7.308
   15   1HG   GLN   3          2HG       GLN   3  10.906  10.265  -5.169
   16   2HG   GLN   3          1HG       GLN   3  11.401  11.919  -4.817
   17   1HE2  GLN   3          1HE2      GLN   3   9.227  12.236  -4.079
   18   2HE2  GLN   3          2HE2      GLN   3   7.965  12.555  -5.214
   19    H    ILE   4           H        ILE   4  13.175  10.365  -3.971
   20    HA   ILE   4           HA       ILE   4  14.713   7.945  -4.463
   21    HB   ILE   4           HB       ILE   4  13.691   8.724  -1.756
   22   1HG1  ILE   4          2HG1      ILE   4  16.378   9.615  -2.023
   23   2HG1  ILE   4          1HG1      ILE   4  15.460  10.334  -3.340
   24   1HG2  ILE   4          1HG2      ILE   4  15.891   7.634  -1.134
   25   2HG2  ILE   4          2HG2      ILE   4  15.995   7.130  -2.820
   26   3HG2  ILE   4          3HG2      ILE   4  14.650   6.585  -1.819
   27   1HD1  ILE   4          1HD1      ILE   4  14.989  11.911  -1.824
   28   2HD1  ILE   4          2HD1      ILE   4  15.364  10.856  -0.462
   29   3HD1  ILE   4          3HD1      ILE   4  13.788  10.754  -1.249
   30    H    THR   5           H        THR   5  11.527   9.067  -3.553
   31    HA   THR   5           HA       THR   5  10.587   6.326  -3.188
   32    HB   THR   5           HB       THR   5   8.378   7.943  -2.909
   33    HG1  THR   5           1HG      THR   5   9.149   9.889  -2.745
   34   1HG2  THR   5          1HG2      THR   5   8.374   7.313  -0.742
   35   2HG2  THR   5          2HG2      THR   5  10.083   7.691  -0.512
   36   3HG2  THR   5          3HG2      THR   5   9.611   6.200  -1.328
   37    H    GLY   6           H        GLY   6   8.760   5.505  -4.347
   38   1HA   GLY   6          2HA       GLY   6   8.681   6.536  -7.092
   39   2HA   GLY   6          1HA       GLY   6   8.225   4.916  -6.592
   40    H    THR   7           H        THR   7   6.128   4.476  -6.137
   41    HA   THR   7           HA       THR   7   4.202   6.499  -6.794
   42    HB   THR   7           HB       THR   7   3.880   3.618  -5.973
   43    HG1  THR   7           1HG      THR   7   3.887   4.852  -8.528
   44   1HG2  THR   7          1HG2      THR   7   1.816   4.945  -5.648
   45   2HG2  THR   7          2HG2      THR   7   1.669   3.680  -6.868
   46   3HG2  THR   7          3HG2      THR   7   1.862   5.362  -7.362
   47    H    CYS   8           H        CYS   8   4.823   4.453  -3.986
   48    HA   CYS   8           HA       CYS   8   2.790   5.607  -2.404
   49   1HB   CYS   8          2HB       CYS   8   5.175   4.128  -1.371
   50   2HB   CYS   8          1HB       CYS   8   3.573   4.253  -0.679
   51    HA   PRO   9           HA       PRO   9   5.474   9.126  -1.327
   52   1HB   PRO   9          2HB       PRO   9   3.523  10.759  -0.382
   53   2HB   PRO   9          1HB       PRO   9   3.854  10.543  -2.101
   54   1HG   PRO   9          2HG       PRO   9   1.682   9.405  -0.430
   55   2HG   PRO   9          1HG       PRO   9   1.650   9.933  -2.118
   56   1HD   PRO   9          2HD       PRO   9   1.823   7.317  -1.258
   57   2HD   PRO   9          1HD       PRO   9   2.275   7.890  -2.868
   58    H    SER  10           H        SER  10   5.379  10.574   0.720
   59    HA   SER  10           HA       SER  10   6.161   9.083   2.941
   60   1HB   SER  10          2HB       SER  10   5.115  11.902   2.840
   61   2HB   SER  10          1HB       SER  10   5.961  11.193   4.215
   62    HG   SER  10           HG       SER  10   6.964  11.866   1.667
   63    H    GLY  11           H        GLY  11   3.136  10.590   2.143
   64   1HA   GLY  11          2HA       GLY  11   1.735  10.234   4.465
   65   2HA   GLY  11          1HA       GLY  11   0.990  10.163   2.867
   66    H    CYS  12           H        CYS  12   2.563   7.848   2.025
   67    HA   CYS  12           HA       CYS  12   0.868   5.830   3.116
   68   1HB   CYS  12          2HB       CYS  12   3.014   5.886   1.039
   69   2HB   CYS  12          1HB       CYS  12   2.608   4.349   1.757
   70    H    SER  13           H        SER  13   4.264   6.771   3.582
   71    HA   SER  13           HA       SER  13   4.969   4.466   5.046
   72   1HB   SER  13          2HB       SER  13   6.245   7.082   5.697
   73   2HB   SER  13          1HB       SER  13   6.991   5.510   5.420
   74    HG   SER  13           HG       SER  13   6.185   5.904   3.140
   75    H    GLY  14           H        GLY  14   3.777   7.630   5.896
   76   1HA   GLY  14          2HA       GLY  14   3.521   6.897   8.712
   77   2HA   GLY  14          1HA       GLY  14   3.062   8.426   8.002
   78    H    ASP  15           H        ASP  15   1.085   8.356   6.589
   79    HA   ASP  15           HA       ASP  15  -0.968   6.850   7.976
   80   1HB   ASP  15          2HB       ASP  15  -1.312   8.775   5.687
   81   2HB   ASP  15          1HB       ASP  15  -2.574   8.121   6.727
   82    H    CYS  16           H        CYS  16  -1.074   4.849   7.433
   83    HA   CYS  16           HA       CYS  16  -0.651   3.906   4.761
   84   1HB   CYS  16          2HB       CYS  16  -0.009   2.615   6.846
   85   2HB   CYS  16          1HB       CYS  16  -1.724   2.275   7.052
   86    H    TYR  17           H        TYR  17  -2.361   5.127   3.666
   87    HA   TYR  17           HA       TYR  17  -5.061   4.503   4.346
   88   1HB   TYR  17          2HB       TYR  17  -5.505   5.515   2.005
   89   2HB   TYR  17          1HB       TYR  17  -4.967   6.561   3.295
   90    HD1  TYR  17           1HD      TYR  17  -4.162   5.029   0.136
   91    HD2  TYR  17           2HD      TYR  17  -2.703   7.544   3.216
   92    HE1  TYR  17           1HE      TYR  17  -2.386   5.811  -1.372
   93    HE2  TYR  17           2HE      TYR  17  -0.913   8.339   1.737
   94    HH   TYR  17           HH       TYR  17   0.243   7.767  -0.232
   95    HA   PRO  18           HA       PRO  18  -5.807   0.716   2.416
   96   1HB   PRO  18          2HB       PRO  18  -7.893   1.971   0.704
   97   2HB   PRO  18          1HB       PRO  18  -8.011   0.567   1.771
   98   1HG   PRO  18          2HG       PRO  18  -9.029   2.904   2.517
   99   2HG   PRO  18          1HG       PRO  18  -8.180   1.877   3.689
  100   1HD   PRO  18          2HD       PRO  18  -7.241   4.345   2.296
  101   2HD   PRO  18          1HD       PRO  18  -6.939   3.815   3.962
  102    H    GLU  19           H        GLU  19  -5.786   3.291  -0.065
  103    HA   GLU  19           HA       GLU  19  -5.180   1.388  -2.098
  104   1HB   GLU  19          2HB       GLU  19  -5.206   4.384  -2.069
  105   2HB   GLU  19          1HB       GLU  19  -4.549   3.505  -3.430
  106   1HG   GLU  19          2HG       GLU  19  -7.321   3.126  -2.343
  107   2HG   GLU  19          1HG       GLU  19  -6.914   4.180  -3.698
  108    H    CYS  20           H        CYS  20  -3.193   2.468   0.362
  109    HA   CYS  20           HA       CYS  20  -0.808   2.944  -1.108
  110   1HB   CYS  20          2HB       CYS  20  -1.334   2.070   1.723
  111   2HB   CYS  20          1HB       CYS  20   0.298   2.194   1.094
  112    HA   PRO  21           HA       PRO  21  -0.259  -1.261  -2.751
  113   1HB   PRO  21          2HB       PRO  21   2.592  -0.381  -2.622
  114   2HB   PRO  21          1HB       PRO  21   1.725  -1.198  -3.928
  115   1HG   PRO  21          2HG       PRO  21   2.230   1.408  -4.061
  116   2HG   PRO  21          1HG       PRO  21   0.699   0.743  -4.645
  117   1HD   PRO  21          2HD       PRO  21   1.243   2.332  -2.194
  118   2HD   PRO  21          1HD       PRO  21  -0.220   2.220  -3.194
  119    HA   PRO  22           HA       PRO  22   0.555  -3.656   0.933
  120   1HB   PRO  22          2HB       PRO  22   1.920  -5.432  -1.047
  121   2HB   PRO  22          1HB       PRO  22   0.801  -5.853   0.256
  122   1HG   PRO  22          2HG       PRO  22  -0.041  -5.731  -2.258
  123   2HG   PRO  22          1HG       PRO  22  -1.052  -5.146  -0.924
  124   1HD   PRO  22          2HD       PRO  22   0.449  -3.610  -2.971
  125   2HD   PRO  22          1HD       PRO  22  -1.042  -3.197  -2.105
  126    H    GLY  23           H        GLY  23   2.108  -3.749   2.343
  127   1HA   GLY  23          2HA       GLY  23   4.183  -3.524   3.372
  128   2HA   GLY  23          1HA       GLY  23   4.853  -4.205   1.901
  129    H    CYS  24           H        CYS  24   3.082  -1.364   1.424
  130    HA   CYS  24           HA       CYS  24   5.541   0.064   0.827
  131   1HB   CYS  24          2HB       CYS  24   2.870   0.281  -0.165
  132   2HB   CYS  24          1HB       CYS  24   3.368   1.848   0.461
  133    H    CYS  25           H        CYS  25   2.848   0.330   3.101
  134    HA   CYS  25           HA       CYS  25   4.044   2.633   4.363
  135   1HB   CYS  25          2HB       CYS  25   2.105   2.614   5.774
  136   2HB   CYS  25          1HB       CYS  25   1.615   2.446   4.108
  137    H    GLY  26           H        GLY  26   4.879   2.700   6.404
  138   1HA   GLY  26          2HA       GLY  26   4.993   0.336   8.035
  139   2HA   GLY  26          1HA       GLY  26   6.530   0.755   7.289
  140    H    GLN  27           H        GLN  27   3.874   2.347   9.012
  141    HA   GLN  27           HA       GLN  27   5.518   4.412  10.065
  142   1HB   GLN  27          2HB       GLN  27   3.575   5.072  11.340
  143   2HB   GLN  27          1HB       GLN  27   3.091   4.636   9.708
  144   1HG   GLN  27          2HG       GLN  27   1.761   3.003  10.415
  145   2HG   GLN  27          1HG       GLN  27   2.970   2.391  11.542
  146   1HE2  GLN  27          1HE2      GLN  27   3.188   3.534  13.591
  147   2HE2  GLN  27          2HE2      GLN  27   1.785   4.250  14.303
  148    H    VAL  28           H        VAL  28   5.552   1.260  10.794
  149    HA   VAL  28           HA       VAL  28   6.011   1.608  13.657
  150    HB   VAL  28           HB       VAL  28   4.525  -0.220  13.031
  151   1HG1  VAL  28          1HG1      VAL  28   5.012  -1.203  11.057
  152   2HG1  VAL  28          2HG1      VAL  28   5.973  -2.279  12.069
  153   3HG1  VAL  28          3HG1      VAL  28   6.748  -0.935  11.233
  154   1HG2  VAL  28          1HG2      VAL  28   5.267  -1.072  14.940
  155   2HG2  VAL  28          2HG2      VAL  28   6.890  -0.454  14.642
  156   3HG2  VAL  28          3HG2      VAL  28   6.417  -2.030  14.007
  157    H    ASN  29           H        ASN  29   7.918   2.831  12.906
  158    HA   ASN  29           HA       ASN  29  10.267   1.378  13.433
  159   1HB   ASN  29          2HB       ASN  29   9.649   0.879  10.912
  160   2HB   ASN  29          1HB       ASN  29  10.372   2.462  10.646
  161   1HD2  ASN  29          1HD2      ASN  29  12.553   2.739  11.711
  162   2HD2  ASN  29          2HD2      ASN  29  13.648   1.413  11.588
  163    H    LEU  30           H        LEU  30  12.029   2.732  13.850
  164    HA   LEU  30           HA       LEU  30  11.354   5.587  13.916
  165   1HB   LEU  30          2HB       LEU  30  12.377   3.898  15.858
  166   2HB   LEU  30          1HB       LEU  30  13.787   4.786  15.312
  167    HG   LEU  30           HG       LEU  30  12.012   6.819  15.646
  168   1HD1  LEU  30          1HD1      LEU  30  11.380   4.748  17.742
  169   2HD1  LEU  30          2HD1      LEU  30  10.276   5.397  16.531
  170   3HD1  LEU  30          3HD1      LEU  30  10.895   6.443  17.808
  171   1HD2  LEU  30          1HD2      LEU  30  13.885   7.370  16.731
  172   2HD2  LEU  30          2HD2      LEU  30  14.266   5.687  17.093
  173   3HD2  LEU  30          3HD2      LEU  30  13.169   6.586  18.140
  174    H    ASN  31           H        ASN  31  12.144   4.537  11.442
  175    HA   ASN  31           HA       ASN  31  14.915   5.437  11.115
  176   1HB   ASN  31          2HB       ASN  31  13.993   3.181  10.198
  177   2HB   ASN  31          1HB       ASN  31  13.275   4.178   8.937
  178   1HD2  ASN  31          1HD2      ASN  31  14.480   4.720   7.249
  179   2HD2  ASN  31          2HD2      ASN  31  16.189   4.490   7.124
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  18.377  -0.278   0.245
    2   2H    GLY   1          2HT       GLY   1  17.288  -1.518  -0.124
    3   3H    GLY   1          3HT       GLY   1  16.837   0.097  -0.348
    4   1HA   GLY   1          1HA       GLY   1  19.181  -0.950  -1.778
    5   2HA   GLY   1          2HA       GLY   1  17.573  -1.336  -2.370
    6    H    SER   2           H        SER   2  16.365   0.218  -3.380
    7    HA   SER   2           HA       SER   2  17.117   2.989  -3.336
    8   1HB   SER   2          2HB       SER   2  17.801   3.232  -5.613
    9   2HB   SER   2          1HB       SER   2  18.758   1.912  -4.943
   10    HG   SER   2           HG       SER   2  16.392   1.599  -6.483
   11    H    GLN   3           H        GLN   3  15.651   4.327  -4.620
   12    HA   GLN   3           HA       GLN   3  13.092   2.961  -5.149
   13   1HB   GLN   3          2HB       GLN   3  13.331   4.594  -3.123
   14   2HB   GLN   3          1HB       GLN   3  13.241   5.848  -4.351
   15   1HG   GLN   3          2HG       GLN   3  11.050   5.603  -3.608
   16   2HG   GLN   3          1HG       GLN   3  11.103   4.708  -5.126
   17   1HE2  GLN   3          1HE2      GLN   3  12.208   3.795  -1.885
   18   2HE2  GLN   3          2HE2      GLN   3  11.195   2.405  -1.744
   19    H    ILE   4           H        ILE   4  13.877   2.726  -7.359
   20    HA   ILE   4           HA       ILE   4  14.593   4.839  -9.009
   21    HB   ILE   4           HB       ILE   4  13.961   3.291 -10.839
   22   1HG1  ILE   4          2HG1      ILE   4  13.566   0.993  -9.082
   23   2HG1  ILE   4          1HG1      ILE   4  12.245   2.155  -9.010
   24   1HG2  ILE   4          1HG2      ILE   4  16.052   3.150  -9.062
   25   2HG2  ILE   4          2HG2      ILE   4  15.965   2.356 -10.634
   26   3HG2  ILE   4          3HG2      ILE   4  15.486   1.483  -9.178
   27   1HD1  ILE   4          1HD1      ILE   4  12.466   0.161 -10.801
   28   2HD1  ILE   4          2HD1      ILE   4  13.141   1.517 -11.701
   29   3HD1  ILE   4          3HD1      ILE   4  11.516   1.626 -11.029
   30    H    THR   5           H        THR   5  11.419   3.448  -8.281
   31    HA   THR   5           HA       THR   5  10.156   5.434 -10.015
   32    HB   THR   5           HB       THR   5   8.089   4.035  -9.631
   33    HG1  THR   5           1HG      THR   5   8.264   2.166  -8.576
   34   1HG2  THR   5          1HG2      THR   5  10.432   3.290 -11.180
   35   2HG2  THR   5          2HG2      THR   5   8.730   3.325 -11.637
   36   3HG2  THR   5          3HG2      THR   5   9.386   1.925 -10.789
   37    H    GLY   6           H        GLY   6   9.579   3.953  -6.884
   38   1HA   GLY   6          2HA       GLY   6   8.776   4.803  -4.906
   39   2HA   GLY   6          1HA       GLY   6   9.416   6.351  -5.436
   40    H    THR   7           H        THR   7   6.630   4.179  -5.781
   41    HA   THR   7           HA       THR   7   4.959   6.299  -6.801
   42    HB   THR   7           HB       THR   7   4.335   3.462  -5.993
   43    HG1  THR   7           1HG      THR   7   5.242   3.075  -7.836
   44   1HG2  THR   7          1HG2      THR   7   2.346   4.961  -5.956
   45   2HG2  THR   7          2HG2      THR   7   2.256   3.637  -7.117
   46   3HG2  THR   7          3HG2      THR   7   2.622   5.272  -7.670
   47    H    CYS   8           H        CYS   8   5.081   4.297  -3.922
   48    HA   CYS   8           HA       CYS   8   2.942   5.553  -2.604
   49   1HB   CYS   8          2HB       CYS   8   5.160   4.053  -1.264
   50   2HB   CYS   8          1HB       CYS   8   3.492   4.225  -0.760
   51    HA   PRO   9           HA       PRO   9   5.484   9.095  -1.342
   52   1HB   PRO   9          2HB       PRO   9   3.456  10.637  -0.391
   53   2HB   PRO   9          1HB       PRO   9   3.851  10.496  -2.104
   54   1HG   PRO   9          2HG       PRO   9   1.669   9.230  -0.543
   55   2HG   PRO   9          1HG       PRO   9   1.667   9.818  -2.212
   56   1HD   PRO   9          2HD       PRO   9   1.880   7.182  -1.474
   57   2HD   PRO   9          1HD       PRO   9   2.424   7.841  -3.025
   58    H    SER  10           H        SER  10   5.361  10.517   0.681
   59    HA   SER  10           HA       SER  10   6.141   9.045   2.915
   60   1HB   SER  10          2HB       SER  10   5.150  11.877   2.746
   61   2HB   SER  10          1HB       SER  10   5.932  11.178   4.163
   62    HG   SER  10           HG       SER  10   7.588  12.087   3.107
   63    H    GLY  11           H        GLY  11   3.126  10.610   2.152
   64   1HA   GLY  11          2HA       GLY  11   1.749  10.267   4.484
   65   2HA   GLY  11          1HA       GLY  11   0.984  10.200   2.895
   66    H    CYS  12           H        CYS  12   2.508   7.882   2.037
   67    HA   CYS  12           HA       CYS  12   0.814   5.873   3.138
   68   1HB   CYS  12          2HB       CYS  12   2.935   5.934   1.036
   69   2HB   CYS  12          1HB       CYS  12   2.533   4.393   1.748
   70    H    SER  13           H        SER  13   4.200   6.826   3.604
   71    HA   SER  13           HA       SER  13   4.932   4.508   5.041
   72   1HB   SER  13          2HB       SER  13   6.196   7.111   5.744
   73   2HB   SER  13          1HB       SER  13   6.952   5.555   5.412
   74    HG   SER  13           HG       SER  13   5.968   6.158   3.144
   75    H    GLY  14           H        GLY  14   3.730   7.661   5.925
   76   1HA   GLY  14          2HA       GLY  14   3.486   6.903   8.736
   77   2HA   GLY  14          1HA       GLY  14   3.008   8.431   8.038
   78    H    ASP  15           H        ASP  15   1.026   8.356   6.642
   79    HA   ASP  15           HA       ASP  15  -1.000   6.801   8.016
   80   1HB   ASP  15          2HB       ASP  15  -1.355   8.794   5.787
   81   2HB   ASP  15          1HB       ASP  15  -2.633   8.060   6.751
   82    H    CYS  16           H        CYS  16  -1.099   4.818   7.442
   83    HA   CYS  16           HA       CYS  16  -0.658   3.911   4.755
   84   1HB   CYS  16          2HB       CYS  16  -0.003   2.594   6.812
   85   2HB   CYS  16          1HB       CYS  16  -1.716   2.241   7.029
   86    H    TYR  17           H        TYR  17  -2.382   5.153   3.696
   87    HA   TYR  17           HA       TYR  17  -5.077   4.508   4.377
   88   1HB   TYR  17          2HB       TYR  17  -5.547   5.569   2.069
   89   2HB   TYR  17          1HB       TYR  17  -4.981   6.588   3.367
   90    HD1  TYR  17           1HD      TYR  17  -4.245   5.121   0.165
   91    HD2  TYR  17           2HD      TYR  17  -2.705   7.554   3.268
   92    HE1  TYR  17           1HE      TYR  17  -2.504   5.921  -1.361
   93    HE2  TYR  17           2HE      TYR  17  -0.940   8.372   1.765
   94    HH   TYR  17           HH       TYR  17  -1.039   8.061  -1.511
   95    HA   PRO  18           HA       PRO  18  -5.880   0.767   2.400
   96   1HB   PRO  18          2HB       PRO  18  -7.936   2.121   0.720
   97   2HB   PRO  18          1HB       PRO  18  -8.077   0.666   1.717
   98   1HG   PRO  18          2HG       PRO  18  -9.068   2.957   2.596
   99   2HG   PRO  18          1HG       PRO  18  -8.191   1.885   3.704
  100   1HD   PRO  18          2HD       PRO  18  -7.274   4.404   2.384
  101   2HD   PRO  18          1HD       PRO  18  -6.951   3.823   4.028
  102    H    GLU  19           H        GLU  19  -5.857   3.368  -0.065
  103    HA   GLU  19           HA       GLU  19  -5.230   1.474  -2.095
  104   1HB   GLU  19          2HB       GLU  19  -5.266   4.475  -2.065
  105   2HB   GLU  19          1HB       GLU  19  -4.630   3.589  -3.434
  106   1HG   GLU  19          2HG       GLU  19  -7.413   3.446  -2.313
  107   2HG   GLU  19          1HG       GLU  19  -6.916   4.151  -3.853
  108    H    CYS  20           H        CYS  20  -3.271   2.552   0.366
  109    HA   CYS  20           HA       CYS  20  -0.857   3.011  -1.064
  110   1HB   CYS  20          2HB       CYS  20  -1.452   2.163   1.762
  111   2HB   CYS  20          1HB       CYS  20   0.196   2.264   1.172
  112    HA   PRO  21           HA       PRO  21  -0.325  -1.228  -2.659
  113   1HB   PRO  21          2HB       PRO  21   2.538  -0.382  -2.419
  114   2HB   PRO  21          1HB       PRO  21   1.724  -1.229  -3.741
  115   1HG   PRO  21          2HG       PRO  21   2.239   1.356  -3.954
  116   2HG   PRO  21          1HG       PRO  21   0.701   0.698  -4.525
  117   1HD   PRO  21          2HD       PRO  21   1.259   2.325  -2.091
  118   2HD   PRO  21          1HD       PRO  21  -0.183   2.255  -3.126
  119    HA   PRO  22           HA       PRO  22   0.714  -3.665   0.869
  120   1HB   PRO  22          2HB       PRO  22   1.919  -5.832  -0.221
  121   2HB   PRO  22          1HB       PRO  22   0.181  -5.534  -0.353
  122   1HG   PRO  22          2HG       PRO  22   2.355  -4.941  -2.324
  123   2HG   PRO  22          1HG       PRO  22   0.775  -5.701  -2.604
  124   1HD   PRO  22          2HD       PRO  22   1.195  -3.107  -3.146
  125   2HD   PRO  22          1HD       PRO  22  -0.352  -3.676  -2.494
  126    H    GLY  23           H        GLY  23   2.245  -3.823   2.308
  127   1HA   GLY  23          2HA       GLY  23   4.302  -3.593   3.368
  128   2HA   GLY  23          1HA       GLY  23   4.995  -4.264   1.900
  129    H    CYS  24           H        CYS  24   3.171  -1.466   1.397
  130    HA   CYS  24           HA       CYS  24   5.602   0.009   0.812
  131   1HB   CYS  24          2HB       CYS  24   2.971   0.103  -0.256
  132   2HB   CYS  24          1HB       CYS  24   3.342   1.698   0.399
  133    H    CYS  25           H        CYS  25   2.875   0.268   3.061
  134    HA   CYS  25           HA       CYS  25   4.049   2.608   4.286
  135   1HB   CYS  25          2HB       CYS  25   2.095   2.613   5.685
  136   2HB   CYS  25          1HB       CYS  25   1.618   2.410   4.020
  137    H    GLY  26           H        GLY  26   4.831   2.713   6.386
  138   1HA   GLY  26          2HA       GLY  26   5.882   1.948   8.276
  139   2HA   GLY  26          1HA       GLY  26   4.893   0.498   8.162
  140    H    GLN  27           H        GLN  27   7.562   2.030   6.412
  141    HA   GLN  27           HA       GLN  27   8.968  -0.547   6.515
  142   1HB   GLN  27          2HB       GLN  27   8.096  -0.096   4.236
  143   2HB   GLN  27          1HB       GLN  27   9.070   1.369   4.200
  144   1HG   GLN  27          2HG       GLN  27  10.836  -0.639   4.945
  145   2HG   GLN  27          1HG       GLN  27   9.835  -1.360   3.682
  146   1HE2  GLN  27          1HE2      GLN  27  11.749   1.515   4.433
  147   2HE2  GLN  27          2HE2      GLN  27  12.281   1.803   2.815
  148    H    VAL  28           H        VAL  28  10.222  -0.017   8.152
  149    HA   VAL  28           HA       VAL  28  11.866   0.956   9.402
  150    HB   VAL  28           HB       VAL  28  12.932   1.226   6.612
  151   1HG1  VAL  28          1HG1      VAL  28  14.916   2.021   7.339
  152   2HG1  VAL  28          2HG1      VAL  28  14.873   1.050   8.809
  153   3HG1  VAL  28          3HG1      VAL  28  13.989   2.571   8.734
  154   1HG2  VAL  28          1HG2      VAL  28  12.343  -1.045   7.592
  155   2HG2  VAL  28          2HG2      VAL  28  13.717  -0.800   8.672
  156   3HG2  VAL  28          3HG2      VAL  28  13.964  -0.848   6.927
  157    H    ASN  29           H        ASN  29  10.795   2.743  10.249
  158    HA   ASN  29           HA       ASN  29  11.600   5.292   9.099
  159   1HB   ASN  29          2HB       ASN  29   9.061   4.508   8.778
  160   2HB   ASN  29          1HB       ASN  29   8.927   5.204  10.390
  161   1HD2  ASN  29          1HD2      ASN  29  10.586   7.333  10.294
  162   2HD2  ASN  29          2HD2      ASN  29  10.042   8.470   9.112
  163    H    LEU  30           H        LEU  30  13.030   5.970  10.599
  164    HA   LEU  30           HA       LEU  30  12.057   6.284  13.338
  165   1HB   LEU  30          2HB       LEU  30  14.603   4.893  12.534
  166   2HB   LEU  30          1HB       LEU  30  14.370   5.569  14.135
  167    HG   LEU  30           HG       LEU  30  12.303   3.679  13.135
  168   1HD1  LEU  30          1HD1      LEU  30  13.763   2.056  12.707
  169   2HD1  LEU  30          2HD1      LEU  30  14.131   2.052  14.432
  170   3HD1  LEU  30          3HD1      LEU  30  15.116   3.007  13.323
  171   1HD2  LEU  30          1HD2      LEU  30  13.353   4.702  15.686
  172   2HD2  LEU  30          2HD2      LEU  30  12.896   2.999  15.680
  173   3HD2  LEU  30          3HD2      LEU  30  11.714   4.230  15.237
  174    H    ASN  31           H        ASN  31  15.283   6.681  11.917
  175    HA   ASN  31           HA       ASN  31  14.988   9.579  11.932
  176   1HB   ASN  31          2HB       ASN  31  15.978   8.456  14.179
  177   2HB   ASN  31          1HB       ASN  31  17.462   8.611  13.245
  178   1HD2  ASN  31          1HD2      ASN  31  18.347  10.180  14.524
  179   2HD2  ASN  31          2HD2      ASN  31  17.732  11.791  14.606
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  10.214  20.168  -2.949
    2   2H    GLY   1          2HT       GLY   1   8.609  20.695  -3.025
    3   3H    GLY   1          3HT       GLY   1   9.625  20.888  -4.363
    4   1HA   GLY   1          1HA       GLY   1   9.294  18.827  -5.102
    5   2HA   GLY   1          2HA       GLY   1   9.449  18.163  -3.483
    6    H    SER   2           H        SER   2   7.272  19.338  -5.910
    7    HA   SER   2           HA       SER   2   5.001  18.455  -4.251
    8   1HB   SER   2          2HB       SER   2   5.430  20.953  -5.626
    9   2HB   SER   2          1HB       SER   2   4.009  20.143  -6.284
   10    HG   SER   2           HG       SER   2   4.418  20.427  -3.501
   11    H    GLN   3           H        GLN   3   6.539  16.733  -5.876
   12    HA   GLN   3           HA       GLN   3   4.442  15.726  -7.607
   13   1HB   GLN   3          2HB       GLN   3   5.700  17.206  -9.102
   14   2HB   GLN   3          1HB       GLN   3   7.193  16.377  -8.682
   15   1HG   GLN   3          2HG       GLN   3   6.854  14.889 -10.278
   16   2HG   GLN   3          1HG       GLN   3   5.297  14.450  -9.578
   17   1HE2  GLN   3          1HE2      GLN   3   6.702  15.404 -12.331
   18   2HE2  GLN   3          2HE2      GLN   3   5.387  16.236 -13.083
   19    H    ILE   4           H        ILE   4   4.556  13.514  -7.942
   20    HA   ILE   4           HA       ILE   4   5.746  11.943  -6.031
   21    HB   ILE   4           HB       ILE   4   3.848  11.400  -7.648
   22   1HG1  ILE   4          2HG1      ILE   4   4.403   8.948  -7.548
   23   2HG1  ILE   4          1HG1      ILE   4   5.976   9.415  -6.920
   24   1HG2  ILE   4          1HG2      ILE   4   4.310  10.342  -9.699
   25   2HG2  ILE   4          2HG2      ILE   4   6.034  10.231  -9.343
   26   3HG2  ILE   4          3HG2      ILE   4   5.304  11.799  -9.685
   27   1HD1  ILE   4          1HD1      ILE   4   3.489   9.132  -5.545
   28   2HD1  ILE   4          2HD1      ILE   4   4.098  10.779  -5.367
   29   3HD1  ILE   4          3HD1      ILE   4   5.104   9.409  -4.891
   30    H    THR   5           H        THR   5   7.430  10.395  -6.133
   31    HA   THR   5           HA       THR   5   9.556  11.059  -8.051
   32    HB   THR   5           HB       THR   5   9.555  11.214  -5.179
   33    HG1  THR   5           1HG      THR   5  11.909  11.823  -6.284
   34   1HG2  THR   5          1HG2      THR   5  12.034  10.284  -5.130
   35   2HG2  THR   5          2HG2      THR   5  11.365   9.144  -6.290
   36   3HG2  THR   5          3HG2      THR   5  10.647   9.291  -4.688
   37    H    GLY   6           H        GLY   6   7.649   8.621  -6.660
   38   1HA   GLY   6          2HA       GLY   6   8.931   6.628  -8.333
   39   2HA   GLY   6          1HA       GLY   6   8.979   6.306  -6.607
   40    H    THR   7           H        THR   7   6.898   6.232  -5.467
   41    HA   THR   7           HA       THR   7   4.513   5.909  -7.012
   42    HB   THR   7           HB       THR   7   5.749   3.486  -5.690
   43    HG1  THR   7           1HG      THR   7   5.355   2.700  -7.914
   44   1HG2  THR   7          1HG2      THR   7   3.819   2.337  -5.792
   45   2HG2  THR   7          2HG2      THR   7   3.273   3.179  -7.241
   46   3HG2  THR   7          3HG2      THR   7   3.087   3.937  -5.661
   47    H    CYS   8           H        CYS   8   5.164   4.260  -4.000
   48    HA   CYS   8           HA       CYS   8   3.010   5.496  -2.705
   49   1HB   CYS   8          2HB       CYS   8   5.261   3.993  -1.411
   50   2HB   CYS   8          1HB       CYS   8   3.638   4.234  -0.800
   51    HA   PRO   9           HA       PRO   9   5.455   9.088  -1.402
   52   1HB   PRO   9          2HB       PRO   9   3.399  10.582  -0.456
   53   2HB   PRO   9          1HB       PRO   9   3.773  10.435  -2.174
   54   1HG   PRO   9          2HG       PRO   9   1.651   9.117  -0.571
   55   2HG   PRO   9          1HG       PRO   9   1.599   9.708  -2.236
   56   1HD   PRO   9          2HD       PRO   9   1.902   7.075  -1.519
   57   2HD   PRO   9          1HD       PRO   9   2.405   7.762  -3.073
   58    H    SER  10           H        SER  10   5.331  10.484   0.628
   59    HA   SER  10           HA       SER  10   6.115   9.011   2.861
   60   1HB   SER  10          2HB       SER  10   5.057  11.825   2.818
   61   2HB   SER  10          1HB       SER  10   6.032  11.107   4.098
   62    HG   SER  10           HG       SER  10   7.209  10.890   1.643
   63    H    GLY  11           H        GLY  11   3.099  10.571   2.112
   64   1HA   GLY  11          2HA       GLY  11   1.728  10.228   4.446
   65   2HA   GLY  11          1HA       GLY  11   0.958  10.161   2.861
   66    H    CYS  12           H        CYS  12   2.505   7.835   2.017
   67    HA   CYS  12           HA       CYS  12   0.807   5.829   3.120
   68   1HB   CYS  12          2HB       CYS  12   2.931   5.880   1.019
   69   2HB   CYS  12          1HB       CYS  12   2.529   4.343   1.741
   70    H    SER  13           H        SER  13   4.193   6.787   3.586
   71    HA   SER  13           HA       SER  13   4.942   4.475   5.018
   72   1HB   SER  13          2HB       SER  13   6.109   7.196   5.567
   73   2HB   SER  13          1HB       SER  13   6.913   5.629   5.603
   74    HG   SER  13           HG       SER  13   5.854   6.489   3.164
   75    H    GLY  14           H        GLY  14   3.762   7.629   5.922
   76   1HA   GLY  14          2HA       GLY  14   3.512   6.859   8.727
   77   2HA   GLY  14          1HA       GLY  14   3.047   8.393   8.033
   78    H    ASP  15           H        ASP  15   1.069   8.326   6.617
   79    HA   ASP  15           HA       ASP  15  -0.973   6.802   8.002
   80   1HB   ASP  15          2HB       ASP  15  -1.350   8.721   5.713
   81   2HB   ASP  15          1HB       ASP  15  -2.590   8.082   6.788
   82    H    CYS  16           H        CYS  16  -1.066   4.809   7.454
   83    HA   CYS  16           HA       CYS  16  -0.621   3.867   4.783
   84   1HB   CYS  16          2HB       CYS  16   0.018   2.589   6.881
   85   2HB   CYS  16          1HB       CYS  16  -1.694   2.230   7.075
   86    H    TYR  17           H        TYR  17  -2.350   5.110   3.709
   87    HA   TYR  17           HA       TYR  17  -5.044   4.473   4.400
   88   1HB   TYR  17          2HB       TYR  17  -5.520   5.517   2.088
   89   2HB   TYR  17          1HB       TYR  17  -4.950   6.545   3.377
   90    HD1  TYR  17           1HD      TYR  17  -4.226   5.050   0.188
   91    HD2  TYR  17           2HD      TYR  17  -2.686   7.509   3.259
   92    HE1  TYR  17           1HE      TYR  17  -2.492   5.837  -1.353
   93    HE2  TYR  17           2HE      TYR  17  -0.925   8.320   1.747
   94    HH   TYR  17           HH       TYR  17   0.077   8.006  -0.255
   95    HA   PRO  18           HA       PRO  18  -5.873   0.725   2.433
   96   1HB   PRO  18          2HB       PRO  18  -7.941   2.073   0.767
   97   2HB   PRO  18          1HB       PRO  18  -8.077   0.631   1.782
   98   1HG   PRO  18          2HG       PRO  18  -9.052   2.945   2.633
   99   2HG   PRO  18          1HG       PRO  18  -8.190   1.871   3.752
  100   1HD   PRO  18          2HD       PRO  18  -7.249   4.374   2.423
  101   2HD   PRO  18          1HD       PRO  18  -6.924   3.791   4.066
  102    H    GLU  19           H        GLU  19  -5.875   3.327  -0.029
  103    HA   GLU  19           HA       GLU  19  -5.276   1.450  -2.080
  104   1HB   GLU  19          2HB       GLU  19  -5.268   4.452  -2.021
  105   2HB   GLU  19          1HB       GLU  19  -4.692   3.562  -3.411
  106   1HG   GLU  19          2HG       GLU  19  -7.382   2.974  -2.271
  107   2HG   GLU  19          1HG       GLU  19  -7.145   4.376  -3.313
  108    H    CYS  20           H        CYS  20  -3.278   2.487   0.373
  109    HA   CYS  20           HA       CYS  20  -0.898   3.017  -1.072
  110   1HB   CYS  20          2HB       CYS  20  -1.454   2.099   1.732
  111   2HB   CYS  20          1HB       CYS  20   0.192   2.201   1.131
  112    HA   PRO  21           HA       PRO  21  -0.283  -1.163  -2.769
  113   1HB   PRO  21          2HB       PRO  21   2.553  -0.230  -2.703
  114   2HB   PRO  21          1HB       PRO  21   1.665  -1.043  -3.998
  115   1HG   PRO  21          2HG       PRO  21   2.121   1.566  -4.126
  116   2HG   PRO  21          1HG       PRO  21   0.571   0.891  -4.644
  117   1HD   PRO  21          2HD       PRO  21   1.222   2.426  -2.173
  118   2HD   PRO  21          1HD       PRO  21  -0.265   2.370  -3.143
  119    HA   PRO  22           HA       PRO  22   0.625  -3.575   0.883
  120   1HB   PRO  22          2HB       PRO  22   1.964  -5.306  -1.154
  121   2HB   PRO  22          1HB       PRO  22   0.889  -5.759   0.176
  122   1HG   PRO  22          2HG       PRO  22  -0.030  -5.616  -2.311
  123   2HG   PRO  22          1HG       PRO  22  -1.009  -5.059  -0.941
  124   1HD   PRO  22          2HD       PRO  22   0.403  -3.478  -3.013
  125   2HD   PRO  22          1HD       PRO  22  -1.055  -3.092  -2.080
  126    H    GLY  23           H        GLY  23   2.189  -3.701   2.272
  127   1HA   GLY  23          2HA       GLY  23   4.272  -3.518   3.296
  128   2HA   GLY  23          1HA       GLY  23   4.932  -4.142   1.796
  129    H    CYS  24           H        CYS  24   3.161  -1.297   1.442
  130    HA   CYS  24           HA       CYS  24   5.612   0.160   0.883
  131   1HB   CYS  24          2HB       CYS  24   2.866   0.447   0.004
  132   2HB   CYS  24          1HB       CYS  24   3.556   1.983   0.495
  133    H    CYS  25           H        CYS  25   2.927   0.349   3.170
  134    HA   CYS  25           HA       CYS  25   4.103   2.640   4.481
  135   1HB   CYS  25          2HB       CYS  25   2.148   2.595   5.869
  136   2HB   CYS  25          1HB       CYS  25   1.673   2.430   4.195
  137    H    GLY  26           H        GLY  26   4.805   2.688   6.631
  138   1HA   GLY  26          2HA       GLY  26   5.653   1.850   8.597
  139   2HA   GLY  26          1HA       GLY  26   4.917   0.302   8.218
  140    H    GLN  27           H        GLN  27   7.615   2.388   7.207
  141    HA   GLN  27           HA       GLN  27   9.224  -0.041   6.911
  142   1HB   GLN  27          2HB       GLN  27  10.413   0.912   5.100
  143   2HB   GLN  27          1HB       GLN  27   8.713   1.212   4.783
  144   1HG   GLN  27          2HG       GLN  27  10.215   3.332   6.202
  145   2HG   GLN  27          1HG       GLN  27  10.578   3.076   4.499
  146   1HE2  GLN  27          1HE2      GLN  27   9.734   5.119   4.002
  147   2HE2  GLN  27          2HE2      GLN  27   8.032   5.399   3.943
  148    H    VAL  28           H        VAL  28   8.962   3.046   8.315
  149    HA   VAL  28           HA       VAL  28  11.303   2.563   9.968
  150    HB   VAL  28           HB       VAL  28  11.022   5.206   8.529
  151   1HG1  VAL  28          1HG1      VAL  28  12.797   4.144  10.636
  152   2HG1  VAL  28          2HG1      VAL  28  12.224   5.787  10.349
  153   3HG1  VAL  28          3HG1      VAL  28  13.555   5.139   9.392
  154   1HG2  VAL  28          1HG2      VAL  28  12.059   4.358   6.760
  155   2HG2  VAL  28          2HG2      VAL  28  12.118   2.774   7.521
  156   3HG2  VAL  28          3HG2      VAL  28  13.426   3.919   7.781
  157    H    ASN  29           H        ASN  29   9.821   2.372  11.689
  158    HA   ASN  29           HA       ASN  29   8.554   3.085  13.446
  159   1HB   ASN  29          2HB       ASN  29  10.492   4.688  13.626
  160   2HB   ASN  29          1HB       ASN  29   9.529   5.857  12.729
  161   1HD2  ASN  29          1HD2      ASN  29   9.665   3.947  15.675
  162   2HD2  ASN  29          2HD2      ASN  29   8.667   4.995  16.620
  163    H    LEU  30           H        LEU  30   6.537   2.600  12.593
  164    HA   LEU  30           HA       LEU  30   5.145   4.525  10.943
  165   1HB   LEU  30          2HB       LEU  30   4.888   2.073  10.636
  166   2HB   LEU  30          1HB       LEU  30   4.119   1.985  12.210
  167    HG   LEU  30           HG       LEU  30   2.563   3.855  10.998
  168   1HD1  LEU  30          1HD1      LEU  30   4.069   2.944   8.897
  169   2HD1  LEU  30          2HD1      LEU  30   2.485   3.708   8.772
  170   3HD1  LEU  30          3HD1      LEU  30   2.617   1.949   8.791
  171   1HD2  LEU  30          1HD2      LEU  30   2.129   0.889  10.721
  172   2HD2  LEU  30          2HD2      LEU  30   0.907   2.153  10.846
  173   3HD2  LEU  30          3HD2      LEU  30   1.923   1.769  12.235
  174    H    ASN  31           H        ASN  31   4.439   3.009  14.099
  175    HA   ASN  31           HA       ASN  31   3.295   3.749  15.919
  176   1HB   ASN  31          2HB       ASN  31   5.051   5.786  15.213
  177   2HB   ASN  31          1HB       ASN  31   3.510   6.613  15.421
  178   1HD2  ASN  31          1HD2      ASN  31   4.907   7.565  17.175
  179   2HD2  ASN  31          2HD2      ASN  31   4.843   6.794  18.719