*HEADER    MEMBRANE PROTEIN                        05-AUG-11   2LH8              
*TITLE     SYRIAN HAMSTER PRION PROTEIN WITH THIAMINE                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MAJOR PRION PROTEIN;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 125-228;                                      
*COMPND   5 SYNONYM: PRP, PRP27-30, PRP33-35C;                                   
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MESOCRICETUS AURATUS;                           
*SOURCE   3 ORGANISM_COMMON: SYRIAN GOLDEN HAMSTER;                              
*SOURCE   4 ORGANISM_TAXID: 10036;                                               
*SOURCE   5 GENE: PRNP, PRP;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: B12(DE3);                                  
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET15B                                     
*KEYWDS    PRION, THIAMINE, MEMBRANE PROTEIN                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    R.PEREZ-PINEIRO, T.C.BJORNDAHL, M.BERJANSKII, D.HAU, L.LI, A.HUANG,   
*AUTHOR   2 R.LEE, E.GIBBS, C.LADNER, Y.WEI DONG, A.ABERA, N.R.CASHMAN,          
*AUTHOR   3 D.WISHART                                                            
*REVDAT   1   14-SEP-11 2LH8    0                                                


assign ( resid  1 and name H12  )   ( resid  142 and name HN  )   2.00  0.20  0.70
assign ( resid  1 and name H8  )    ( resid  140 and name HB#  )   2.00  0.20  0.70
assign ( resid  1 and name H  )     ( resid  138 and name HA  )    2.00  0.20  0.70
assign ( resid  1 and name H  )     ( resid  139 and name HA  )    2.00  0.20  3.0
assign ( resid  1 and name H  )     ( (resid  150 and name HE#) OR (resid  150 and name HD#) )    2.00  0.20  0.70


  Entry H atom name         Submitted Coord H atom name
    1    H1   LEU  35           HT1      LEU  35  11.733 -13.092  -3.473
    2    H2   LEU  35           HT2      LEU  35  13.133 -12.453  -4.050
    3    H3   LEU  35           HT3      LEU  35  12.160 -13.339  -5.042
    4    HA   LEU  35           HA       LEU  35  10.378 -11.696  -4.757
    5    HB2  LEU  35           HB2      LEU  35  12.558  -9.876  -3.686
    6    HB3  LEU  35           HB1      LEU  35  10.861  -9.501  -3.965
    7    HG   LEU  35           HG       LEU  35  11.981 -11.372  -1.847
    8   HD11  LEU  35          HD11      LEU  35  12.260  -8.960  -1.381
    9   HD12  LEU  35          HD12      LEU  35  11.112  -9.704  -0.269
   10   HD13  LEU  35          HD13      LEU  35  10.519  -8.705  -1.612
   11   HD21  LEU  35          HD21      LEU  35   9.662 -11.514  -0.985
   12   HD22  LEU  35          HD22      LEU  35   9.798 -12.274  -2.568
   13   HD23  LEU  35          HD23      LEU  35   9.071 -10.652  -2.411
   14    H    GLY  36           HN       GLY  36  13.824 -10.848  -5.590
   15    HA2  GLY  36           HA2      GLY  36  14.329 -11.027  -8.042
   16    HA3  GLY  36           HA1      GLY  36  12.865 -10.073  -8.315
   17    H    GLY  37           HN       GLY  37  12.953  -8.176  -6.391
   18    HA2  GLY  37           HA2      GLY  37  15.323  -7.028  -5.442
   19    HA3  GLY  37           HA1      GLY  37  15.061  -6.354  -7.059
   20    H    TYR  38           HN       TYR  38  13.436  -6.920  -3.916
   21    HA   TYR  38           HA       TYR  38  12.002  -4.428  -4.149
   22    HB2  TYR  38           HB2      TYR  38  10.416  -6.990  -3.710
   23    HB3  TYR  38           HB1      TYR  38   9.804  -5.359  -3.517
   24    HD1  TYR  38           HD1      TYR  38  10.859  -7.897  -5.995
   25    HD2  TYR  38           HD2      TYR  38   9.118  -4.006  -5.407
   26    HE1  TYR  38           HE1      TYR  38  10.226  -7.811  -8.406
   27    HE2  TYR  38           HE2      TYR  38   8.480  -3.918  -7.806
   28    HH   TYR  38           HH       TYR  38   8.486  -5.055  -9.870
   29    H    MET  39           HN       MET  39  11.359  -3.649  -2.120
   30    HA   MET  39           HA       MET  39  12.425  -4.952   0.337
   31    HB2  MET  39           HB2      MET  39  14.059  -3.446  -0.840
   32    HB3  MET  39           HB1      MET  39  12.887  -2.124  -0.743
   33    HG2  MET  39           HG2      MET  39  12.979  -2.150   1.690
   34    HG3  MET  39           HG1      MET  39  13.989  -3.608   1.674
   35    HE1  MET  39           HE1      MET  39  16.324  -0.718   3.014
   36    HE2  MET  39           HE2      MET  39  15.662  -2.332   3.364
   37    HE3  MET  39           HE3      MET  39  14.579  -0.918   3.282
   38    H    LEU  40           HN       LEU  40  11.155  -4.611   2.107
   39    HA   LEU  40           HA       LEU  40   8.604  -3.240   1.793
   40    HB2  LEU  40           HB2      LEU  40   7.981  -4.178   3.858
   41    HB3  LEU  40           HB1      LEU  40   8.719  -5.415   2.863
   42    HG   LEU  40           HG       LEU  40   9.867  -4.108   5.360
   43   HD11  LEU  40          HD11      LEU  40   8.176  -5.885   5.640
   44   HD12  LEU  40          HD12      LEU  40   9.773  -6.370   6.235
   45   HD13  LEU  40          HD13      LEU  40   9.190  -6.989   4.674
   46   HD21  LEU  40          HD21      LEU  40  11.810  -4.450   3.923
   47   HD22  LEU  40          HD22      LEU  40  11.249  -6.097   3.491
   48   HD23  LEU  40          HD23      LEU  40  11.781  -5.705   5.143
   49    H    GLY  41           HN       GLY  41   8.406  -1.113   2.080
   50    HA2  GLY  41           HA2      GLY  41  10.310   0.614   3.307
   51    HA3  GLY  41           HA1      GLY  41   8.611   0.982   2.981
   52    H    SER  42           HN       SER  42   7.393  -0.815   4.564
   53    HA   SER  42           HA       SER  42   7.502  -1.796   6.848
   54    HB2  SER  42           HB2      SER  42   8.098   1.059   7.679
   55    HB3  SER  42           HB1      SER  42   7.521  -0.200   8.784
   56    HG   SER  42           HG       SER  42   9.870  -0.176   7.267
   57    H    ALA  43           HN       ALA  43   5.780  -0.749   8.708
   58    HA   ALA  43           HA       ALA  43   3.229  -0.930   7.297
   59    HB1  ALA  43           HB1      ALA  43   3.556  -2.071   9.455
   60    HB2  ALA  43           HB2      ALA  43   2.303  -0.821   9.588
   61    HB3  ALA  43           HB3      ALA  43   3.924  -0.510  10.234
   62    H    MET  44           HN       MET  44   1.738   0.613   7.042
   63    HA   MET  44           HA       MET  44   2.282   3.404   6.983
   64    HB2  MET  44           HB2      MET  44  -0.223   3.591   6.834
   65    HB3  MET  44           HB1      MET  44   0.526   2.520   5.664
   66    HG2  MET  44           HG2      MET  44  -0.732   0.839   6.253
   67    HG3  MET  44           HG1      MET  44  -0.163   0.887   7.915
   68    HE1  MET  44           HE1      MET  44  -3.347   1.371   9.746
   69    HE2  MET  44           HE2      MET  44  -1.628   1.768   9.964
   70    HE3  MET  44           HE3      MET  44  -2.097   0.177   9.331
   71    H    SER  45           HN       SER  45   2.427   4.885   8.514
   72    HA   SER  45           HA       SER  45   1.842   4.407  11.289
   73    HB2  SER  45           HB2      SER  45   3.692   5.813  10.546
   74    HB3  SER  45           HB1      SER  45   2.552   6.994   9.866
   75    HG   SER  45           HG       SER  45   1.780   7.394  11.893
   76    H    ARG  46           HN       ARG  46  -0.469   3.771  10.616
   77    HA   ARG  46           HA       ARG  46  -2.755   4.142  10.483
   78    HB2  ARG  46           HB2      ARG  46  -2.036   4.061  12.886
   79    HB3  ARG  46           HB1      ARG  46  -2.149   5.823  12.927
   80    HG2  ARG  46           HG2      ARG  46  -4.597   5.582  12.205
   81    HG3  ARG  46           HG1      ARG  46  -4.416   3.836  12.366
   82    HD2  ARG  46           HD2      ARG  46  -3.889   5.856  14.586
   83    HD3  ARG  46           HD1      ARG  46  -5.445   5.048  14.338
   84    HE   ARG  46           HE       ARG  46  -3.707   2.935  14.486
   85   HH11  ARG  46          HH21      ARG  46  -4.228   5.627  16.654
   86   HH12  ARG  46          HH22      ARG  46  -3.846   4.700  18.075
   87   HH21  ARG  46          HH11      ARG  46  -3.236   1.781  16.344
   88   HH22  ARG  46          HH12      ARG  46  -3.308   2.565  17.891
   89    HA   PRO  47           HA       PRO  47  -2.134   7.949   7.917
   90    HB2  PRO  47           HB2      PRO  47  -4.511   6.520   6.665
   91    HB3  PRO  47           HB1      PRO  47  -3.245   7.494   5.847
   92    HG2  PRO  47           HG2      PRO  47  -2.969   4.830   5.951
   93    HG3  PRO  47           HG1      PRO  47  -1.570   5.870   6.344
   94    HD2  PRO  47           HD2      PRO  47  -3.394   4.390   8.225
   95    HD3  PRO  47           HD1      PRO  47  -1.627   4.649   8.304
   96    H    MET  48           HN       MET  48  -5.337   7.132   9.301
   97    HA   MET  48           HA       MET  48  -7.308   8.265   9.329
   98    HB2  MET  48           HB2      MET  48  -5.898   9.251  11.126
   99    HB3  MET  48           HB1      MET  48  -5.623  10.649  10.079
  100    HG2  MET  48           HG2      MET  48  -7.978  11.194  10.104
  101    HG3  MET  48           HG1      MET  48  -8.397   9.652  10.858
  102    HE1  MET  48           HE1      MET  48  -9.802  11.839  12.090
  103    HE2  MET  48           HE2      MET  48  -8.666  13.110  11.579
  104    HE3  MET  48           HE3      MET  48  -9.008  12.870  13.307
  105    H    MET  49           HN       MET  49  -6.263   8.041   6.720
  106    HA   MET  49           HA       MET  49  -6.729  10.574   5.291
  107    HB2  MET  49           HB2      MET  49  -5.649   7.841   4.513
  108    HB3  MET  49           HB1      MET  49  -6.087   9.018   3.267
  109    HG2  MET  49           HG2      MET  49  -4.216   9.664   5.547
  110    HG3  MET  49           HG1      MET  49  -3.687   9.139   3.947
  111    HE1  MET  49           HE1      MET  49  -2.248  11.380   4.649
  112    HE2  MET  49           HE2      MET  49  -3.342  12.051   5.881
  113    HE3  MET  49           HE3      MET  49  -2.883  13.031   4.468
  114    H    HIS  50           HN       HIS  50  -7.850   9.376   2.823
  115    HA   HIS  50           HA       HIS  50 -10.576   8.671   3.648
  116    HB2  HIS  50           HB2      HIS  50 -11.587  10.737   2.984
  117    HB3  HIS  50           HB1      HIS  50 -10.301  11.115   4.133
  118    HD1  HIS  50           HD1      HIS  50  -8.102  12.297   3.169
  119    HD2  HIS  50           HD2      HIS  50 -11.400  11.857   0.571
  120    HE1  HIS  50           HE1      HIS  50  -7.601  13.777   1.108
  121    HE2  HIS  50           HE2      HIS  50  -9.649  13.513  -0.460
  122    H    PHE  51           HN       PHE  51 -12.013   8.442   1.867
  123    HA   PHE  51           HA       PHE  51 -10.726   8.064  -0.800
  124    HB2  PHE  51           HB2      PHE  51 -13.266   6.786   0.274
  125    HB3  PHE  51           HB1      PHE  51 -12.333   6.322  -1.141
  126    HD1  PHE  51           HD1      PHE  51 -12.497   6.238   2.563
  127    HD2  PHE  51           HD2      PHE  51 -10.316   4.964  -0.923
  128    HE1  PHE  51           HE1      PHE  51 -11.135   4.722   3.970
  129    HE2  PHE  51           HE2      PHE  51  -8.928   3.485   0.501
  130    HZ   PHE  51           HZ       PHE  51  -9.332   3.343   2.927
  131    H    GLY  52           HN       GLY  52 -13.652   9.330   0.783
  132    HA2  GLY  52           HA2      GLY  52 -14.931  11.245  -0.038
  133    HA3  GLY  52           HA1      GLY  52 -14.410  10.850  -1.685
  134    H    ASN  53           HN       ASN  53 -14.981   8.022   0.019
  135    HA   ASN  53           HA       ASN  53 -17.822   7.708  -0.788
  136    HB2  ASN  53           HB2      ASN  53 -15.431   5.816  -1.191
  137    HB3  ASN  53           HB1      ASN  53 -17.109   5.386  -1.472
  138   HD21  ASN  53          HD21      ASN  53 -17.365   5.218  -3.644
  139   HD22  ASN  53          HD22      ASN  53 -16.725   6.390  -4.790
  140    H    ASP  54           HN       ASP  54 -18.720   7.747   1.275
  141    HA   ASP  54           HA       ASP  54 -17.447   7.186   3.629
  142    HB2  ASP  54           HB2      ASP  54 -20.420   6.914   3.151
  143    HB3  ASP  54           HB1      ASP  54 -19.606   7.344   4.661
  144    H    TRP  55           HN       TRP  55 -19.194   4.851   1.629
  145    HA   TRP  55           HA       TRP  55 -19.132   2.644   3.446
  146    HB2  TRP  55           HB2      TRP  55 -20.367   2.954   1.176
  147    HB3  TRP  55           HB1      TRP  55 -18.888   2.343   0.447
  148    HD1  TRP  55           HD1      TRP  55 -18.296  -0.238   0.959
  149    HE1  TRP  55           HE1      TRP  55 -19.711  -2.232   1.735
  150    HE3  TRP  55           HE3      TRP  55 -22.401   2.292   2.685
  151    HZ2  TRP  55           HZ2      TRP  55 -22.291  -2.680   2.949
  152    HZ3  TRP  55           HZ3      TRP  55 -24.314   1.055   3.675
  153    HH2  TRP  55           HH2      TRP  55 -24.270  -1.425   3.813
  154    H    GLU  56           HN       GLU  56 -16.532   4.055   1.520
  155    HA   GLU  56           HA       GLU  56 -14.713   1.750   1.985
  156    HB2  GLU  56           HB2      GLU  56 -14.198   4.411   0.596
  157    HB3  GLU  56           HB1      GLU  56 -13.087   3.044   0.704
  158    HG2  GLU  56           HG2      GLU  56 -14.671   1.642  -0.592
  159    HG3  GLU  56           HG1      GLU  56 -15.791   3.003  -0.698
  160    H    ASP  57           HN       ASP  57 -15.294   5.052   3.160
  161    HA   ASP  57           HA       ASP  57 -13.075   5.347   4.966
  162    HB2  ASP  57           HB2      ASP  57 -14.234   7.253   5.137
  163    HB3  ASP  57           HB1      ASP  57 -15.674   6.574   4.501
  164    H    ARG  58           HN       ARG  58 -16.332   4.084   5.535
  165    HA   ARG  58           HA       ARG  58 -15.816   3.058   8.074
  166    HB2  ARG  58           HB2      ARG  58 -18.080   3.392   7.008
  167    HB3  ARG  58           HB1      ARG  58 -17.787   1.941   6.021
  168    HG2  ARG  58           HG2      ARG  58 -17.353   0.695   8.245
  169    HG3  ARG  58           HG1      ARG  58 -17.948   2.144   9.063
  170    HD2  ARG  58           HD2      ARG  58 -20.135   1.851   7.914
  171    HD3  ARG  58           HD1      ARG  58 -19.465   0.476   7.015
  172    HE   ARG  58           HE       ARG  58 -19.297  -0.832   8.955
  173   HH11  ARG  58          HH21      ARG  58 -20.495   2.306   9.844
  174   HH12  ARG  58          HH22      ARG  58 -20.865   1.818  11.487
  175   HH21  ARG  58          HH11      ARG  58 -19.632  -1.358  10.994
  176   HH22  ARG  58          HH12      ARG  58 -20.344  -0.267  12.153
  177    H    TYR  59           HN       TYR  59 -15.667   1.277   4.933
  178    HA   TYR  59           HA       TYR  59 -14.925  -1.148   6.195
  179    HB2  TYR  59           HB2      TYR  59 -15.404  -0.353   3.507
  180    HB3  TYR  59           HB1      TYR  59 -13.804  -1.048   3.524
  181    HD1  TYR  59           HD1      TYR  59 -17.107  -1.711   5.234
  182    HD2  TYR  59           HD2      TYR  59 -13.737  -3.375   3.091
  183    HE1  TYR  59           HE1      TYR  59 -18.042  -4.000   5.517
  184    HE2  TYR  59           HE2      TYR  59 -14.695  -5.630   3.329
  185    HH   TYR  59           HH       TYR  59 -16.329  -6.863   4.237
  186    H    TYR  60           HN       TYR  60 -12.852   1.580   5.313
  187    HA   TYR  60           HA       TYR  60 -10.436   0.221   5.950
  188    HB2  TYR  60           HB2      TYR  60 -10.755   2.528   4.895
  189    HB3  TYR  60           HB1      TYR  60 -10.961   3.141   6.527
  190    HD1  TYR  60           HD2      TYR  60  -8.613   0.694   7.158
  191    HD2  TYR  60           HD1      TYR  60  -8.973   4.327   4.915
  192    HE1  TYR  60           HE2      TYR  60  -6.218   1.132   7.540
  193    HE2  TYR  60           HE1      TYR  60  -6.556   4.743   5.215
  194    HH   TYR  60           HH       TYR  60  -4.626   3.921   6.060
  195    H    ARG  61           HN       ARG  61 -12.502   2.227   8.139
  196    HA   ARG  61           HA       ARG  61 -10.954   1.497  10.473
  197    HB2  ARG  61           HB2      ARG  61 -12.337   3.541  10.271
  198    HB3  ARG  61           HB1      ARG  61 -13.807   2.552  10.318
  199    HG2  ARG  61           HG2      ARG  61 -13.387   1.884  12.600
  200    HG3  ARG  61           HG1      ARG  61 -11.711   2.445  12.530
  201    HD2  ARG  61           HD2      ARG  61 -13.046   3.960  13.852
  202    HD3  ARG  61           HD1      ARG  61 -12.453   4.775  12.391
  203    HE   ARG  61           HE       ARG  61 -14.885   3.957  11.552
  204   HH11  ARG  61          HH21      ARG  61 -13.965   5.760  14.388
  205   HH12  ARG  61          HH22      ARG  61 -15.484   6.612  14.476
  206   HH21  ARG  61          HH11      ARG  61 -16.741   5.169  11.625
  207   HH22  ARG  61          HH12      ARG  61 -17.032   6.259  12.938
  208    H    GLU  62           HN       GLU  62 -13.467  -0.234   8.865
  209    HA   GLU  62           HA       GLU  62 -13.963  -2.020  11.141
  210    HB2  GLU  62           HB2      GLU  62 -15.680  -0.953   9.684
  211    HB3  GLU  62           HB1      GLU  62 -15.148  -1.968   8.341
  212    HG2  GLU  62           HG2      GLU  62 -15.998  -3.937   9.384
  213    HG3  GLU  62           HG1      GLU  62 -16.046  -3.166  10.976
  214    H    ASN  63           HN       ASN  63 -12.008  -2.192   8.213
  215    HA   ASN  63           HA       ASN  63 -11.411  -5.058   8.861
  216    HB2  ASN  63           HB2      ASN  63 -11.540  -3.736   6.121
  217    HB3  ASN  63           HB1      ASN  63 -11.103  -5.405   6.436
  218   HD21  ASN  63          HD21      ASN  63 -13.692  -3.140   6.308
  219   HD22  ASN  63          HD22      ASN  63 -14.988  -4.310   6.500
  220    H    MET  64           HN       MET  64  -9.858  -2.052   8.881
  221    HA   MET  64           HA       MET  64  -7.324  -2.569   7.901
  222    HB2  MET  64           HB2      MET  64  -6.471  -0.924   9.527
  223    HB3  MET  64           HB1      MET  64  -7.928  -0.429   8.712
  224    HG2  MET  64           HG2      MET  64  -8.395   0.246  10.842
  225    HG3  MET  64           HG1      MET  64  -9.211  -1.301  10.802
  226    HE1  MET  64           HE1      MET  64  -6.111   0.721  11.962
  227    HE2  MET  64           HE2      MET  64  -6.009   0.119  13.638
  228    HE3  MET  64           HE3      MET  64  -7.504   0.895  13.061
  229    H    ASN  65           HN       ASN  65  -8.630  -4.121  10.738
  230    HA   ASN  65           HA       ASN  65  -6.171  -5.024  11.901
  231    HB2  ASN  65           HB2      ASN  65  -8.854  -6.473  11.949
  232    HB3  ASN  65           HB1      ASN  65  -7.603  -6.483  13.190
  233   HD21  ASN  65          HD21      ASN  65  -7.827  -4.906  14.865
  234   HD22  ASN  65          HD22      ASN  65  -9.038  -3.622  14.722
  235    H    ARG  66           HN       ARG  66  -7.987  -6.082   9.167
  236    HA   ARG  66           HA       ARG  66  -6.598  -8.711   8.806
  237    HB2  ARG  66           HB2      ARG  66  -9.026  -7.347   7.535
  238    HB3  ARG  66           HB1      ARG  66  -8.387  -8.874   6.992
  239    HG2  ARG  66           HG2      ARG  66  -9.100 -10.036   8.879
  240    HG3  ARG  66           HG1      ARG  66  -9.212  -8.593   9.900
  241    HD2  ARG  66           HD2      ARG  66 -11.231  -7.864   8.930
  242    HD3  ARG  66           HD1      ARG  66 -10.965  -8.805   7.456
  243    HE   ARG  66           HE       ARG  66 -11.182 -10.604   9.633
  244   HH11  ARG  66          HH21      ARG  66 -13.089  -8.777   7.353
  245   HH12  ARG  66          HH22      ARG  66 -14.254 -10.040   7.190
  246   HH21  ARG  66          HH11      ARG  66 -12.746 -12.120   9.459
  247   HH22  ARG  66          HH12      ARG  66 -14.132 -11.826   8.460
  248    H    TYR  67           HN       TYR  67  -7.176  -5.569   7.294
  249    HA   TYR  67           HA       TYR  67  -6.249  -6.198   4.799
  250    HB2  TYR  67           HB2      TYR  67  -7.123  -4.263   4.328
  251    HB3  TYR  67           HB1      TYR  67  -7.413  -3.995   6.016
  252    HD1  TYR  67           HD2      TYR  67  -5.196  -2.999   7.327
  253    HD2  TYR  67           HD1      TYR  67  -6.176  -2.501   3.172
  254    HE1  TYR  67           HE2      TYR  67  -3.944  -0.853   7.285
  255    HE2  TYR  67           HE1      TYR  67  -4.783  -0.439   3.086
  256    HH   TYR  67           HH       TYR  67  -3.241   0.906   5.991
  257    HA   PRO  68           HA       PRO  68  -1.789  -5.981   4.870
  258    HB2  PRO  68           HB2      PRO  68  -1.219  -5.553   2.221
  259    HB3  PRO  68           HB1      PRO  68  -1.871  -7.081   2.900
  260    HG2  PRO  68           HG2      PRO  68  -3.441  -4.891   1.577
  261    HG3  PRO  68           HG1      PRO  68  -3.467  -6.657   1.235
  262    HD2  PRO  68           HD2      PRO  68  -5.313  -5.559   2.909
  263    HD3  PRO  68           HD1      PRO  68  -4.591  -7.146   3.253
  264    H    ASN  69           HN       ASN  69  -1.603  -4.225   6.175
  265    HA   ASN  69           HA       ASN  69  -1.647  -1.554   5.251
  266    HB2  ASN  69           HB2      ASN  69  -1.566  -1.062   7.520
  267    HB3  ASN  69           HB1      ASN  69  -2.279  -2.664   7.515
  268   HD21  ASN  69          HD21      ASN  69   0.384  -4.028   7.113
  269   HD22  ASN  69          HD22      ASN  69   1.155  -3.813   8.696
  270    H    GLN  70           HN       GLN  70   0.707  -3.015   3.973
  271    HA   GLN  70           HA       GLN  70   2.861  -1.151   4.662
  272    HB2  GLN  70           HB2      GLN  70   4.509  -2.788   5.317
  273    HB3  GLN  70           HB1      GLN  70   3.109  -2.945   6.386
  274    HG2  GLN  70           HG2      GLN  70   2.363  -4.860   4.832
  275    HG3  GLN  70           HG1      GLN  70   3.973  -4.759   4.104
  276   HE21  GLN  70          HE21      GLN  70   4.901  -4.087   7.164
  277   HE22  GLN  70          HE22      GLN  70   4.947  -5.726   7.796
  278    H    VAL  71           HN       VAL  71   4.642  -1.262   3.099
  279    HA   VAL  71           HA       VAL  71   3.653  -2.350   0.491
  280    HB   VAL  71           HB       VAL  71   4.046  -0.299  -0.545
  281   HG11  VAL  71          HG11      VAL  71   2.376   1.044   0.407
  282   HG12  VAL  71          HG12      VAL  71   2.765   0.560   2.073
  283   HG13  VAL  71          HG13      VAL  71   1.969  -0.582   0.982
  284   HG21  VAL  71          HG21      VAL  71   4.784   1.762   0.671
  285   HG22  VAL  71          HG22      VAL  71   6.066   0.564   0.494
  286   HG23  VAL  71          HG23      VAL  71   5.245   0.751   2.058
  287    H    TYR  72           HN       TYR  72   5.077  -3.065  -1.010
  288    HA   TYR  72           HA       TYR  72   7.957  -3.255  -0.239
  289    HB2  TYR  72           HB2      TYR  72   6.106  -5.186  -1.659
  290    HB3  TYR  72           HB1      TYR  72   7.828  -5.211  -1.958
  291    HD1  TYR  72           HD1      TYR  72   5.372  -5.417   0.868
  292    HD2  TYR  72           HD2      TYR  72   9.199  -6.612  -0.703
  293    HE1  TYR  72           HE1      TYR  72   5.584  -7.099   2.688
  294    HE2  TYR  72           HE2      TYR  72   9.410  -8.305   1.122
  295    HH   TYR  72           HH       TYR  72   6.895  -8.748   3.601
  296    H    TYR  73           HN       TYR  73   9.300  -2.141  -1.654
  297    HA   TYR  73           HA       TYR  73   8.376  -1.662  -4.471
  298    HB2  TYR  73           HB2      TYR  73   9.626   0.507  -4.243
  299    HB3  TYR  73           HB1      TYR  73   8.114   0.430  -3.417
  300    HD1  TYR  73           HD1      TYR  73  11.807   0.368  -2.893
  301    HD2  TYR  73           HD2      TYR  73   7.920   0.748  -1.068
  302    HE1  TYR  73           HE1      TYR  73  12.870   1.263  -0.840
  303    HE2  TYR  73           HE2      TYR  73   9.014   1.640   0.998
  304    HH   TYR  73           HH       TYR  73  12.472   2.354   1.138
  305    H    ARG  74           HN       ARG  74  10.084  -1.266  -5.982
  306    HA   ARG  74           HA       ARG  74  12.689  -2.622  -5.515
  307    HB2  ARG  74           HB2      ARG  74  11.394  -2.650  -7.713
  308    HB3  ARG  74           HB1      ARG  74  11.689  -0.915  -7.853
  309    HG2  ARG  74           HG2      ARG  74  14.068  -1.238  -8.054
  310    HG3  ARG  74           HG1      ARG  74  13.955  -2.939  -7.568
  311    HD2  ARG  74           HD2      ARG  74  12.745  -1.800 -10.100
  312    HD3  ARG  74           HD1      ARG  74  14.298  -2.642  -9.999
  313    HE   ARG  74           HE       ARG  74  12.152  -4.214  -8.855
  314   HH11  ARG  74          HH21      ARG  74  13.774  -3.473 -11.858
  315   HH12  ARG  74          HH22      ARG  74  13.074  -4.817 -12.709
  316   HH21  ARG  74          HH11      ARG  74  11.009  -5.731 -10.121
  317   HH22  ARG  74          HH12      ARG  74  11.571  -6.081 -11.712
  318    HA   PRO  75           HA       PRO  75  14.265   1.313  -3.954
  319    HB2  PRO  75           HB2      PRO  75  16.878   1.366  -4.896
  320    HB3  PRO  75           HB1      PRO  75  16.312   0.516  -3.436
  321    HG2  PRO  75           HG2      PRO  75  16.718  -0.644  -6.207
  322    HG3  PRO  75           HG1      PRO  75  17.234  -1.318  -4.631
  323    HD2  PRO  75           HD2      PRO  75  14.998  -2.190  -5.857
  324    HD3  PRO  75           HD1      PRO  75  15.006  -1.948  -4.089
  325    H    VAL  76           HN       VAL  76  14.669   3.413  -4.646
  326    HA   VAL  76           HA       VAL  76  13.286   4.076  -7.108
  327    HB   VAL  76           HB       VAL  76  13.619   6.416  -6.382
  328   HG11  VAL  76          HG11      VAL  76  12.664   4.656  -4.089
  329   HG12  VAL  76          HG12      VAL  76  11.710   5.094  -5.519
  330   HG13  VAL  76          HG13      VAL  76  12.248   6.357  -4.407
  331   HG21  VAL  76          HG21      VAL  76  15.868   6.122  -5.302
  332   HG22  VAL  76          HG22      VAL  76  15.084   5.268  -3.954
  333   HG23  VAL  76          HG23      VAL  76  14.698   6.957  -4.304
  334    H    ASP  77           HN       ASP  77  16.512   3.387  -6.602
  335    HA   ASP  77           HA       ASP  77  18.008   5.409  -7.821
  336    HB2  ASP  77           HB2      ASP  77  19.757   3.719  -7.849
  337    HB3  ASP  77           HB1      ASP  77  18.838   3.580  -6.354
  338    H    GLN  78           HN       GLN  78  16.427   2.620  -9.309
  339    HA   GLN  78           HA       GLN  78  17.512   3.217 -11.961
  340    HB2  GLN  78           HB2      GLN  78  15.249   1.302 -11.277
  341    HB3  GLN  78           HB1      GLN  78  16.278   1.288 -12.718
  342    HG2  GLN  78           HG2      GLN  78  18.235   0.663 -11.344
  343    HG3  GLN  78           HG1      GLN  78  17.255   0.791  -9.892
  344   HE21  GLN  78          HE21      GLN  78  17.133  -1.113  -9.087
  345   HE22  GLN  78          HE22      GLN  78  16.772  -2.591  -9.996
  346    H    TYR  79           HN       TYR  79  15.367   5.026 -10.383
  347    HA   TYR  79           HA       TYR  79  13.375   5.286 -12.590
  348    HB2  TYR  79           HB2      TYR  79  12.896   4.772  -9.643
  349    HB3  TYR  79           HB1      TYR  79  11.692   5.573 -10.621
  350    HD1  TYR  79           HD1      TYR  79  13.424   2.380 -10.033
  351    HD2  TYR  79           HD2      TYR  79  10.448   4.456 -12.365
  352    HE1  TYR  79           HE1      TYR  79  12.531   0.211 -10.832
  353    HE2  TYR  79           HE2      TYR  79   9.537   2.265 -13.150
  354    HH   TYR  79           HH       TYR  79  10.915  -0.836 -12.109
  355    H    ASN  80           HN       ASN  80  11.898   7.095 -12.181
  356    HA   ASN  80           HA       ASN  80  13.137   9.598 -11.216
  357    HB2  ASN  80           HB2      ASN  80  13.103  10.561 -13.490
  358    HB3  ASN  80           HB1      ASN  80  14.156   9.153 -13.438
  359   HD21  ASN  80          HD21      ASN  80  13.254   7.087 -14.378
  360   HD22  ASN  80          HD22      ASN  80  11.996   7.247 -15.604
  361    H    ASN  81           HN       ASN  81  10.451   7.802 -11.206
  362    HA   ASN  81           HA       ASN  81   8.492   9.939 -11.280
  363    HB2  ASN  81           HB2      ASN  81   8.840   8.065 -13.636
  364    HB3  ASN  81           HB1      ASN  81   7.201   8.409 -13.095
  365   HD21  ASN  81          HD21      ASN  81   9.657   9.676 -15.094
  366   HD22  ASN  81          HD22      ASN  81   8.714  11.086 -15.427
  367    H    GLN  82           HN       GLN  82   6.884   9.440  -9.971
  368    HA   GLN  82           HA       GLN  82   6.910   7.042  -8.488
  369    HB2  GLN  82           HB2      GLN  82   5.117   8.041  -7.224
  370    HB3  GLN  82           HB1      GLN  82   6.328   9.251  -7.634
  371    HG2  GLN  82           HG2      GLN  82   4.718   9.821  -9.663
  372    HG3  GLN  82           HG1      GLN  82   3.540   8.891  -8.724
  373   HE21  GLN  82          HE21      GLN  82   2.145  10.367  -7.845
  374   HE22  GLN  82          HE22      GLN  82   2.705  11.863  -7.076
  375    H    ASN  83           HN       ASN  83   4.226   8.080 -10.724
  376    HA   ASN  83           HA       ASN  83   2.485   6.179  -9.986
  377    HB2  ASN  83           HB2      ASN  83   2.780   7.210 -12.839
  378    HB3  ASN  83           HB1      ASN  83   1.326   6.485 -12.155
  379   HD21  ASN  83          HD21      ASN  83   1.750   9.250 -13.268
  380   HD22  ASN  83          HD22      ASN  83   1.382  10.304 -11.906
  381    H    ASN  84           HN       ASN  84   4.867   5.534 -12.555
  382    HA   ASN  84           HA       ASN  84   3.901   2.885 -13.196
  383    HB2  ASN  84           HB2      ASN  84   6.583   4.271 -13.689
  384    HB3  ASN  84           HB1      ASN  84   6.086   2.739 -14.414
  385   HD21  ASN  84          HD21      ASN  84   6.121   6.086 -14.973
  386   HD22  ASN  84          HD22      ASN  84   4.790   6.095 -16.125
  387    H    PHE  85           HN       PHE  85   6.641   4.009 -11.180
  388    HA   PHE  85           HA       PHE  85   7.586   1.499 -10.193
  389    HB2  PHE  85           HB2      PHE  85   8.787   3.617 -10.046
  390    HB3  PHE  85           HB1      PHE  85   7.511   4.355  -9.117
  391    HD1  PHE  85           HD2      PHE  85   6.968   3.349  -6.729
  392    HD2  PHE  85           HD1      PHE  85  10.622   2.734  -8.937
  393    HE1  PHE  85           HE2      PHE  85   8.184   2.982  -4.607
  394    HE2  PHE  85           HE1      PHE  85  11.836   2.442  -6.813
  395    HZ   PHE  85           HZ       PHE  85  10.644   2.606  -4.647
  396    H    VAL  86           HN       VAL  86   5.136   3.766  -9.003
  397    HA   VAL  86           HA       VAL  86   4.491   2.400  -6.589
  398    HB   VAL  86           HB       VAL  86   3.112   4.544  -8.225
  399   HG11  VAL  86          HG11      VAL  86   1.238   3.632  -7.167
  400   HG12  VAL  86          HG12      VAL  86   1.771   4.885  -6.042
  401   HG13  VAL  86          HG13      VAL  86   2.133   3.174  -5.715
  402   HG21  VAL  86          HG21      VAL  86   4.441   4.603  -5.480
  403   HG22  VAL  86          HG22      VAL  86   3.889   5.986  -6.448
  404   HG23  VAL  86          HG23      VAL  86   5.275   5.037  -6.972
  405    H    HIS  87           HN       HIS  87   3.041   2.205  -9.859
  406    HA   HIS  87           HA       HIS  87   1.015   0.333  -9.236
  407    HB2  HIS  87           HB2      HIS  87   1.356   1.535 -11.421
  408    HB3  HIS  87           HB1      HIS  87   2.677   0.420 -11.781
  409    HD1  HIS  87           HD1      HIS  87   1.892  -1.635 -13.133
  410    HD2  HIS  87           HD2      HIS  87  -1.077   0.078 -10.665
  411    HE1  HIS  87           HE1      HIS  87  -0.316  -2.932 -13.620
  412    HE2  HIS  87           HE2      HIS  87  -2.097  -1.903 -12.029
  413    H    ASP  88           HN       ASP  88   4.465  -0.356 -10.095
  414    HA   ASP  88           HA       ASP  88   4.209  -3.201  -9.677
  415    HB2  ASP  88           HB2      ASP  88   6.542  -1.280  -9.815
  416    HB3  ASP  88           HB1      ASP  88   6.769  -2.919  -9.219
  417    H    CYS  89           HN       CYS  89   5.036  -0.550  -7.454
  418    HA   CYS  89           HA       CYS  89   5.718  -2.131  -5.228
  419    HB2  CYS  89           HB2      CYS  89   6.188   0.308  -5.555
  420    HB3  CYS  89           HB1      CYS  89   4.468   0.645  -5.281
  421    HG   CYS  89           HG       CYS  89   5.382  -1.364  -3.100
  422    H    VAL  90           HN       VAL  90   2.503  -0.718  -6.031
  423    HA   VAL  90           HA       VAL  90   1.164  -1.916  -3.769
  424    HB   VAL  90           HB       VAL  90   0.239   0.037  -4.887
  425   HG11  VAL  90          HG11      VAL  90  -0.548  -1.767  -7.220
  426   HG12  VAL  90          HG12      VAL  90   0.704  -0.516  -7.256
  427   HG13  VAL  90          HG13      VAL  90  -0.974  -0.062  -6.981
  428   HG21  VAL  90          HG21      VAL  90  -1.737  -2.234  -5.236
  429   HG22  VAL  90          HG22      VAL  90  -2.065  -0.545  -4.826
  430   HG23  VAL  90          HG23      VAL  90  -1.283  -1.604  -3.647
  431    H    ASN  91           HN       ASN  91   1.595  -2.973  -7.157
  432    HA   ASN  91           HA       ASN  91   0.165  -5.368  -7.008
  433    HB2  ASN  91           HB2      ASN  91   2.675  -4.625  -8.560
  434    HB3  ASN  91           HB1      ASN  91   1.873  -6.177  -8.757
  435   HD21  ASN  91          HD21      ASN  91   2.218  -4.449 -10.901
  436   HD22  ASN  91          HD22      ASN  91   0.566  -4.033 -11.371
  437    H    ILE  92           HN       ILE  92   3.723  -5.035  -6.193
  438    HA   ILE  92           HA       ILE  92   3.823  -7.841  -5.560
  439    HB   ILE  92           HB       ILE  92   5.835  -6.730  -6.260
  440   HG12  ILE  92          HG12      ILE  92   7.453  -7.550  -4.629
  441   HG13  ILE  92          HG11      ILE  92   6.208  -7.695  -3.392
  442   HG21  ILE  92          HG21      ILE  92   5.824  -4.541  -5.439
  443   HG22  ILE  92          HG22      ILE  92   7.094  -5.292  -4.501
  444   HG23  ILE  92          HG23      ILE  92   5.498  -5.028  -3.786
  445   HD11  ILE  92          HD11      ILE  92   6.264  -9.249  -6.023
  446   HD12  ILE  92          HD12      ILE  92   5.115  -9.493  -4.689
  447   HD13  ILE  92          HD13      ILE  92   6.830  -9.863  -4.455
  448    H    THR  93           HN       THR  93   3.211  -5.007  -3.427
  449    HA   THR  93           HA       THR  93   3.322  -6.697  -1.067
  450    HB   THR  93           HB       THR  93   3.448  -4.059  -1.213
  451    HG1  THR  93           HG1      THR  93   2.637  -4.273   1.074
  452   HG21  THR  93          HG21      THR  93   1.516  -2.954  -0.277
  453   HG22  THR  93          HG22      THR  93   0.583  -4.452  -0.231
  454   HG23  THR  93          HG23      THR  93   1.016  -3.715  -1.795
  455    H    ILE  94           HN       ILE  94   0.572  -5.555  -3.105
  456    HA   ILE  94           HA       ILE  94  -1.428  -6.899  -1.548
  457    HB   ILE  94           HB       ILE  94  -1.383  -5.989  -4.447
  458   HG12  ILE  94          HG12      ILE  94  -2.632  -4.944  -1.855
  459   HG13  ILE  94          HG11      ILE  94  -1.370  -4.181  -2.804
  460   HG21  ILE  94          HG21      ILE  94  -3.789  -6.440  -4.558
  461   HG22  ILE  94          HG22      ILE  94  -3.773  -7.107  -2.918
  462   HG23  ILE  94          HG23      ILE  94  -2.945  -7.938  -4.254
  463   HD11  ILE  94          HD11      ILE  94  -3.081  -3.945  -4.691
  464   HD12  ILE  94          HD12      ILE  94  -3.370  -2.968  -3.231
  465   HD13  ILE  94          HD13      ILE  94  -4.314  -4.432  -3.512
  466    H    LYS  95           HN       LYS  95   0.430  -8.012  -4.445
  467    HA   LYS  95           HA       LYS  95  -0.711 -10.559  -4.624
  468    HB2  LYS  95           HB2      LYS  95   0.878  -9.541  -6.261
  469    HB3  LYS  95           HB1      LYS  95   2.204  -9.778  -5.121
  470    HG2  LYS  95           HG2      LYS  95   2.240 -11.482  -6.829
  471    HG3  LYS  95           HG1      LYS  95   1.889 -12.251  -5.284
  472    HD2  LYS  95           HD2      LYS  95  -0.412 -12.570  -5.805
  473    HD3  LYS  95           HD1      LYS  95  -0.384 -11.398  -7.123
  474    HE2  LYS  95           HE2      LYS  95   1.018 -14.107  -7.128
  475    HE3  LYS  95           HE1      LYS  95  -0.523 -13.735  -7.910
  476    HZ1  LYS  95           HZ1      LYS  95   1.207 -13.560  -9.539
  477    HZ2  LYS  95           HZ2      LYS  95   2.098 -12.542  -8.601
  478    HZ3  LYS  95           HZ3      LYS  95   0.671 -12.038  -9.234
  479    H    GLN  96           HN       GLN  96   2.191  -9.741  -2.647
  480    HA   GLN  96           HA       GLN  96   2.390 -12.497  -1.663
  481    HB2  GLN  96           HB2      GLN  96   3.682  -9.858  -0.856
  482    HB3  GLN  96           HB1      GLN  96   4.000 -11.364   0.004
  483    HG2  GLN  96           HG2      GLN  96   4.436 -11.026  -2.995
  484    HG3  GLN  96           HG1      GLN  96   5.690 -10.763  -1.787
  485   HE21  GLN  96          HE21      GLN  96   6.251 -12.655  -3.698
  486   HE22  GLN  96          HE22      GLN  96   6.074 -14.254  -2.948
  487    H    HIS  97           HN       HIS  97   1.158  -9.424  -0.239
  488    HA   HIS  97           HA       HIS  97   0.679 -10.740   2.278
  489    HB2  HIS  97           HB2      HIS  97   1.251  -8.255   1.654
  490    HB3  HIS  97           HB1      HIS  97  -0.481  -8.061   1.514
  491    HD1  HIS  97           HD1      HIS  97   1.908  -7.086   3.776
  492    HD2  HIS  97           HD2      HIS  97  -1.385  -9.682   4.230
  493    HE1  HIS  97           HE1      HIS  97   1.355  -7.155   6.299
  494    HE2  HIS  97           HE2      HIS  97  -0.664  -8.742   6.543
  495    H    THR  98           HN       THR  98  -1.484 -10.139  -0.504
  496    HA   THR  98           HA       THR  98  -3.931 -10.881   0.873
  497    HB   THR  98           HB       THR  98  -4.783 -11.569  -1.349
  498    HG1  THR  98           HG1      THR  98  -2.418 -10.420  -2.343
  499   HG21  THR  98          HG21      THR  98  -3.582  -8.776  -1.123
  500   HG22  THR  98          HG22      THR  98  -5.175  -9.313  -0.560
  501   HG23  THR  98          HG23      THR  98  -4.828  -9.280  -2.293
  502    H    VAL  99           HN       VAL  99  -1.593 -12.851  -1.066
  503    HA   VAL  99           HA       VAL  99  -2.652 -15.365  -0.376
  504    HB   VAL  99           HB       VAL  99   0.246 -14.602  -0.891
  505   HG11  VAL  99          HG11      VAL  99   0.556 -16.987  -1.514
  506   HG12  VAL  99          HG12      VAL  99  -1.075 -17.349  -0.905
  507   HG13  VAL  99          HG13      VAL  99   0.200 -16.801   0.204
  508   HG21  VAL  99          HG21      VAL  99  -0.163 -15.330  -3.158
  509   HG22  VAL  99          HG22      VAL  99  -1.403 -14.140  -2.761
  510   HG23  VAL  99          HG23      VAL  99  -1.813 -15.861  -2.755
  511    H    THR 100           HN       THR 100  -0.127 -13.560   1.487
  512    HA   THR 100           HA       THR 100   0.123 -15.350   3.642
  513    HB   THR 100           HB       THR 100   0.145 -12.308   3.824
  514    HG1  THR 100           HG1      THR 100   2.173 -14.123   3.091
  515   HG21  THR 100          HG21      THR 100   0.330 -13.244   6.056
  516   HG22  THR 100          HG22      THR 100   1.913 -12.654   5.546
  517   HG23  THR 100          HG23      THR 100   1.566 -14.400   5.515
  518    H    THR 101           HN       THR 101  -2.486 -12.955   3.158
  519    HA   THR 101           HA       THR 101  -3.363 -13.372   5.969
  520    HB   THR 101           HB       THR 101  -3.078 -11.095   4.917
  521    HG1  THR 101           HG1      THR 101  -5.220 -10.526   5.972
  522   HG21  THR 101          HG21      THR 101  -5.870 -11.573   3.824
  523   HG22  THR 101          HG22      THR 101  -4.409 -11.467   2.850
  524   HG23  THR 101          HG23      THR 101  -4.932 -10.067   3.797
  525    H    THR 102           HN       THR 102  -4.597 -13.952   2.643
  526    HA   THR 102           HA       THR 102  -7.059 -15.109   3.312
  527    HB   THR 102           HB       THR 102  -5.100 -15.889   1.127
  528    HG1  THR 102           HG1      THR 102  -6.621 -14.544  -0.051
  529   HG21  THR 102          HG21      THR 102  -8.099 -16.382   1.350
  530   HG22  THR 102          HG22      THR 102  -6.827 -17.618   1.290
  531   HG23  THR 102          HG23      THR 102  -7.135 -16.608  -0.128
  532    H    THR 103           HN       THR 103  -3.812 -16.729   3.229
  533    HA   THR 103           HA       THR 103  -4.927 -19.231   4.213
  534    HB   THR 103           HB       THR 103  -2.593 -19.953   4.441
  535    HG1  THR 103           HG1      THR 103  -1.033 -18.419   3.619
  536   HG21  THR 103          HG21      THR 103  -3.705 -20.042   2.210
  537   HG22  THR 103          HG22      THR 103  -1.950 -19.817   2.096
  538   HG23  THR 103          HG23      THR 103  -3.040 -18.443   1.828
  539    H    LYS 104           HN       LYS 104  -4.334 -16.364   5.891
  540    HA   LYS 104           HA       LYS 104  -4.082 -17.731   8.526
  541    HB2  LYS 104           HB2      LYS 104  -2.799 -15.697   8.280
  542    HB3  LYS 104           HB1      LYS 104  -4.195 -14.799   7.697
  543    HG2  LYS 104           HG2      LYS 104  -5.293 -14.887   9.826
  544    HG3  LYS 104           HG1      LYS 104  -4.046 -15.967  10.491
  545    HD2  LYS 104           HD2      LYS 104  -2.403 -14.221  10.432
  546    HD3  LYS 104           HD1      LYS 104  -3.456 -13.164   9.451
  547    HE2  LYS 104           HE2      LYS 104  -5.059 -12.932  11.220
  548    HE3  LYS 104           HE1      LYS 104  -4.293 -14.192  12.193
  549    HZ1  LYS 104           HZ1      LYS 104  -2.434 -12.778  12.577
  550    HZ2  LYS 104           HZ2      LYS 104  -3.772 -11.874  12.894
  551    HZ3  LYS 104           HZ3      LYS 104  -2.950 -11.649  11.490
  552    H    GLY 105           HN       GLY 105  -6.562 -16.766   6.329
  553    HA2  GLY 105           HA2      GLY 105  -8.736 -17.831   7.016
  554    HA3  GLY 105           HA1      GLY 105  -8.645 -16.864   8.490
  555    H    GLU 106           HN       GLU 106  -7.521 -15.074   5.770
  556    HA   GLU 106           HA       GLU 106  -9.929 -13.391   5.951
  557    HB2  GLU 106           HB2      GLU 106  -7.110 -13.009   5.235
  558    HB3  GLU 106           HB1      GLU 106  -8.136 -12.323   4.006
  559    HG2  GLU 106           HG2      GLU 106  -8.160 -11.724   6.990
  560    HG3  GLU 106           HG1      GLU 106  -7.564 -10.673   5.699
  561    H    ASN 107           HN       ASN 107 -10.771 -12.349   4.009
  562    HA   ASN 107           HA       ASN 107 -10.400 -13.585   1.441
  563    HB2  ASN 107           HB2      ASN 107 -12.118 -15.136   2.271
  564    HB3  ASN 107           HB1      ASN 107 -13.186 -13.782   2.666
  565   HD21  ASN 107          HD21      ASN 107 -13.694 -12.324   0.744
  566   HD22  ASN 107          HD22      ASN 107 -13.805 -13.085  -0.834
  567    H    PHE 108           HN       PHE 108  -9.616 -11.575   0.949
  568    HA   PHE 108           HA       PHE 108 -10.897  -9.069   1.359
  569    HB2  PHE 108           HB2      PHE 108  -9.416  -8.290  -0.464
  570    HB3  PHE 108           HB1      PHE 108  -8.556  -9.221   0.747
  571    HD1  PHE 108           HD1      PHE 108  -9.768  -9.165  -2.742
  572    HD2  PHE 108           HD2      PHE 108  -7.619 -11.465   0.203
  573    HE1  PHE 108           HE1      PHE 108  -8.937 -10.668  -4.527
  574    HE2  PHE 108           HE2      PHE 108  -6.813 -12.987  -1.586
  575    HZ   PHE 108           HZ       PHE 108  -7.472 -12.595  -3.952
  576    H    THR 109           HN       THR 109 -12.182  -7.804   0.054
  577    HA   THR 109           HA       THR 109 -13.503  -9.044  -2.334
  578    HB   THR 109           HB       THR 109 -15.467  -7.783  -1.806
  579    HG1  THR 109           HG1      THR 109 -14.102  -6.781   0.478
  580   HG21  THR 109          HG21      THR 109 -16.222  -8.721   0.280
  581   HG22  THR 109          HG22      THR 109 -14.561  -8.972   0.848
  582   HG23  THR 109          HG23      THR 109 -15.183  -9.922  -0.518
  583    H    GLU 110           HN       GLU 110 -14.381  -7.197  -3.866
  584    HA   GLU 110           HA       GLU 110 -12.369  -5.385  -4.703
  585    HB2  GLU 110           HB2      GLU 110 -15.395  -5.252  -4.974
  586    HB3  GLU 110           HB1      GLU 110 -14.288  -4.152  -5.790
  587    HG2  GLU 110           HG2      GLU 110 -14.364  -7.181  -6.141
  588    HG3  GLU 110           HG1      GLU 110 -15.020  -5.992  -7.264
  589    H    THR 111           HN       THR 111 -14.752  -4.986  -2.080
  590    HA   THR 111           HA       THR 111 -14.327  -2.159  -1.679
  591    HB   THR 111           HB       THR 111 -15.039  -4.164   0.489
  592    HG1  THR 111           HG1      THR 111 -17.047  -4.157  -0.180
  593   HG21  THR 111          HG21      THR 111 -16.359  -2.306   1.379
  594   HG22  THR 111          HG22      THR 111 -15.929  -1.289  -0.017
  595   HG23  THR 111          HG23      THR 111 -14.683  -1.774   1.150
  596    H    ASP 112           HN       ASP 112 -12.926  -5.075  -0.066
  597    HA   ASP 112           HA       ASP 112 -11.041  -3.683   1.550
  598    HB2  ASP 112           HB2      ASP 112 -10.794  -6.487   0.425
  599    HB3  ASP 112           HB1      ASP 112  -9.924  -5.821   1.806
  600    H    ILE 113           HN       ILE 113 -10.716  -5.076  -1.736
  601    HA   ILE 113           HA       ILE 113  -7.990  -4.401  -2.212
  602    HB   ILE 113           HB       ILE 113 -10.342  -4.639  -4.116
  603   HG12  ILE 113          HG12      ILE 113  -7.975  -6.529  -3.854
  604   HG13  ILE 113          HG11      ILE 113  -9.354  -6.701  -2.780
  605   HG21  ILE 113          HG21      ILE 113  -8.581  -4.806  -5.932
  606   HG22  ILE 113          HG22      ILE 113  -7.367  -4.292  -4.743
  607   HG23  ILE 113          HG23      ILE 113  -8.689  -3.212  -5.226
  608   HD11  ILE 113          HD11      ILE 113  -9.359  -8.132  -4.915
  609   HD12  ILE 113          HD12      ILE 113  -9.764  -6.653  -5.795
  610   HD13  ILE 113          HD13      ILE 113 -10.845  -7.249  -4.532
  611    H    LYS 114           HN       LYS 114 -10.977  -2.425  -2.777
  612    HA   LYS 114           HA       LYS 114  -9.510  -0.155  -3.738
  613    HB2  LYS 114           HB2      LYS 114 -12.297  -0.525  -2.591
  614    HB3  LYS 114           HB1      LYS 114 -11.702   1.066  -3.098
  615    HG2  LYS 114           HG2      LYS 114 -11.353   0.388  -5.333
  616    HG3  LYS 114           HG1      LYS 114 -11.501  -1.330  -4.969
  617    HD2  LYS 114           HD2      LYS 114 -13.868  -1.131  -4.488
  618    HD3  LYS 114           HD1      LYS 114 -13.821   0.630  -4.675
  619    HE2  LYS 114           HE2      LYS 114 -13.049  -1.378  -6.854
  620    HE3  LYS 114           HE1      LYS 114 -14.670  -0.679  -6.699
  621    HZ1  LYS 114           HZ1      LYS 114 -12.179   0.872  -7.063
  622    HZ2  LYS 114           HZ2      LYS 114 -13.685   1.517  -6.942
  623    HZ3  LYS 114           HZ3      LYS 114 -13.276   0.583  -8.254
  624    H    ILE 115           HN       ILE 115 -10.434  -0.965  -0.345
  625    HA   ILE 115           HA       ILE 115  -9.232   1.451   0.647
  626    HB   ILE 115           HB       ILE 115  -9.635   0.879   2.713
  627   HG12  ILE 115          HG12      ILE 115  -8.769  -2.006   2.345
  628   HG13  ILE 115          HG11      ILE 115  -7.740  -0.689   2.921
  629   HG21  ILE 115          HG21      ILE 115 -11.546  -0.484   3.050
  630   HG22  ILE 115          HG22      ILE 115 -11.127  -1.528   1.692
  631   HG23  ILE 115          HG23      ILE 115 -11.693   0.133   1.407
  632   HD11  ILE 115          HD11      ILE 115  -8.610  -2.237   4.670
  633   HD12  ILE 115          HD12      ILE 115 -10.197  -1.501   4.463
  634   HD13  ILE 115          HD13      ILE 115  -8.785  -0.507   4.947
  635    H    MET 116           HN       MET 116  -7.903  -1.765   0.026
  636    HA   MET 116           HA       MET 116  -5.293  -1.357   1.109
  637    HB2  MET 116           HB2      MET 116  -6.330  -3.183  -1.097
  638    HB3  MET 116           HB1      MET 116  -4.677  -3.244  -0.477
  639    HG2  MET 116           HG2      MET 116  -5.363  -3.925   1.646
  640    HG3  MET 116           HG1      MET 116  -7.035  -3.514   1.389
  641    HE1  MET 116           HE1      MET 116  -5.572  -6.963  -1.308
  642    HE2  MET 116           HE2      MET 116  -4.424  -5.750  -0.689
  643    HE3  MET 116           HE3      MET 116  -5.731  -5.273  -1.799
  644    H    GLU 117           HN       GLU 117  -6.362  -1.279  -2.286
  645    HA   GLU 117           HA       GLU 117  -4.014  -0.406  -3.519
  646    HB2  GLU 117           HB2      GLU 117  -5.972  -1.403  -4.605
  647    HB3  GLU 117           HB1      GLU 117  -6.922   0.057  -4.280
  648    HG2  GLU 117           HG2      GLU 117  -5.496   1.370  -5.753
  649    HG3  GLU 117           HG1      GLU 117  -4.362   0.022  -5.929
  650    H    ARG 118           HN       ARG 118  -6.723   1.652  -2.232
  651    HA   ARG 118           HA       ARG 118  -5.499   4.108  -2.920
  652    HB2  ARG 118           HB2      ARG 118  -7.860   3.440  -1.628
  653    HB3  ARG 118           HB1      ARG 118  -6.927   4.048  -0.270
  654    HG2  ARG 118           HG2      ARG 118  -7.983   5.982  -1.086
  655    HG3  ARG 118           HG1      ARG 118  -6.383   6.071  -1.847
  656    HD2  ARG 118           HD2      ARG 118  -7.593   4.588  -3.735
  657    HD3  ARG 118           HD1      ARG 118  -9.059   5.267  -3.014
  658    HE   ARG 118           HE       ARG 118  -6.947   7.197  -3.721
  659   HH11  ARG 118          HH21      ARG 118  -9.715   5.480  -4.953
  660   HH12  ARG 118          HH22      ARG 118  -9.872   6.497  -6.357
  661   HH21  ARG 118          HH11      ARG 118  -7.103   8.399  -5.572
  662   HH22  ARG 118          HH12      ARG 118  -8.400   8.127  -6.692
  663    H    VAL 119           HN       VAL 119  -5.173   2.354   0.164
  664    HA   VAL 119           HA       VAL 119  -3.556   4.546   1.264
  665    HB   VAL 119           HB       VAL 119  -4.062   1.802   2.474
  666   HG11  VAL 119          HG11      VAL 119  -2.205   3.039   3.541
  667   HG12  VAL 119          HG12      VAL 119  -3.607   3.049   4.584
  668   HG13  VAL 119          HG13      VAL 119  -3.213   4.503   3.636
  669   HG21  VAL 119          HG21      VAL 119  -6.211   3.133   1.991
  670   HG22  VAL 119          HG22      VAL 119  -5.588   4.377   3.070
  671   HG23  VAL 119          HG23      VAL 119  -5.899   2.704   3.651
  672    H    VAL 120           HN       VAL 120  -2.979   1.303   0.001
  673    HA   VAL 120           HA       VAL 120  -0.134   1.222   0.501
  674    HB   VAL 120           HB       VAL 120  -1.901  -0.237  -1.487
  675   HG11  VAL 120          HG11      VAL 120  -0.010  -1.746  -1.824
  676   HG12  VAL 120          HG12      VAL 120   1.059  -0.613  -0.974
  677   HG13  VAL 120          HG13      VAL 120   0.270  -0.133  -2.479
  678   HG21  VAL 120          HG21      VAL 120  -0.427  -1.198   1.026
  679   HG22  VAL 120          HG22      VAL 120  -1.520  -2.157   0.002
  680   HG23  VAL 120          HG23      VAL 120  -2.156  -0.829   0.970
  681    H    GLU 121           HN       GLU 121  -2.040   2.223  -2.499
  682    HA   GLU 121           HA       GLU 121   0.177   3.167  -3.937
  683    HB2  GLU 121           HB2      GLU 121  -1.997   2.902  -4.934
  684    HB3  GLU 121           HB1      GLU 121  -2.692   4.166  -3.893
  685    HG2  GLU 121           HG2      GLU 121  -1.369   5.886  -4.966
  686    HG3  GLU 121           HG1      GLU 121  -0.457   4.681  -5.868
  687    H    GLN 122           HN       GLN 122  -1.825   5.063  -1.626
  688    HA   GLN 122           HA       GLN 122  -0.361   7.479  -1.749
  689    HB2  GLN 122           HB2      GLN 122  -2.498   7.299  -0.616
  690    HB3  GLN 122           HB1      GLN 122  -1.857   6.131   0.534
  691    HG2  GLN 122           HG2      GLN 122  -2.093   8.319   1.578
  692    HG3  GLN 122           HG1      GLN 122  -0.402   7.844   1.542
  693   HE21  GLN 122          HE21      GLN 122   0.953   9.655   1.012
  694   HE22  GLN 122          HE22      GLN 122   0.378  10.922  -0.049
  695    H    MET 123           HN       MET 123   0.237   4.606   0.335
  696    HA   MET 123           HA       MET 123   2.574   5.705   1.654
  697    HB2  MET 123           HB2      MET 123   1.448   2.909   1.334
  698    HB3  MET 123           HB1      MET 123   2.967   3.215   2.182
  699    HG2  MET 123           HG2      MET 123   0.380   4.620   2.905
  700    HG3  MET 123           HG1      MET 123   0.841   3.062   3.574
  701    HE1  MET 123           HE1      MET 123   0.153   5.843   5.079
  702    HE2  MET 123           HE2      MET 123   1.051   6.850   3.925
  703    HE3  MET 123           HE3      MET 123   1.552   6.797   5.632
  704    H    CYS 124           HN       CYS 124   2.201   3.588  -1.241
  705    HA   CYS 124           HA       CYS 124   4.939   3.128  -1.782
  706    HB2  CYS 124           HB2      CYS 124   2.598   3.534  -3.685
  707    HB3  CYS 124           HB1      CYS 124   4.138   2.747  -4.093
  708    HG   CYS 124           HG       CYS 124   2.335   0.907  -3.955
  709    H    THR 125           HN       THR 125   2.788   5.747  -3.000
  710    HA   THR 125           HA       THR 125   4.811   7.244  -4.356
  711    HB   THR 125           HB       THR 125   2.171   8.175  -3.145
  712    HG1  THR 125           HG1      THR 125   1.523   6.838  -4.623
  713   HG21  THR 125          HG21      THR 125   3.519  10.126  -3.756
  714   HG22  THR 125          HG22      THR 125   2.264   9.877  -4.979
  715   HG23  THR 125          HG23      THR 125   3.939   9.384  -5.314
  716    H    THR 126           HN       THR 126   3.662   7.412  -0.976
  717    HA   THR 126           HA       THR 126   5.252   9.741  -0.265
  718    HB   THR 126           HB       THR 126   4.100   7.542   1.500
  719    HG1  THR 126           HG1      THR 126   2.574   8.612   0.270
  720   HG21  THR 126          HG21      THR 126   5.055  10.356   2.162
  721   HG22  THR 126          HG22      THR 126   5.711   8.828   2.792
  722   HG23  THR 126          HG23      THR 126   4.079   9.342   3.249
  723    H    GLN 127           HN       GLN 127   5.867   6.223  -0.107
  724    HA   GLN 127           HA       GLN 127   8.469   6.462   1.177
  725    HB2  GLN 127           HB2      GLN 127   7.182   4.252  -0.470
  726    HB3  GLN 127           HB1      GLN 127   8.768   4.122   0.290
  727    HG2  GLN 127           HG2      GLN 127   6.202   4.667   1.856
  728    HG3  GLN 127           HG1      GLN 127   6.874   3.068   1.575
  729   HE21  GLN 127          HE21      GLN 127   7.405   6.174   3.277
  730   HE22  GLN 127          HE22      GLN 127   8.461   5.378   4.460
  731    H    TYR 128           HN       TYR 128   7.383   6.240  -2.284
  732    HA   TYR 128           HA       TYR 128   9.901   6.594  -3.449
  733    HB2  TYR 128           HB2      TYR 128   7.647   6.275  -4.625
  734    HB3  TYR 128           HB1      TYR 128   7.424   8.015  -4.482
  735    HD1  TYR 128           HD2      TYR 128   9.177   9.592  -5.586
  736    HD2  TYR 128           HD1      TYR 128   9.102   5.344  -6.229
  737    HE1  TYR 128           HE2      TYR 128  10.768   9.838  -7.485
  738    HE2  TYR 128           HE1      TYR 128  10.665   5.584  -8.134
  739    HH   TYR 128           HH       TYR 128  12.319   7.093  -8.954
  740    H    GLN 129           HN       GLN 129   7.749   9.256  -2.224
  741    HA   GLN 129           HA       GLN 129   9.472  11.372  -2.874
  742    HB2  GLN 129           HB2      GLN 129   7.124  11.541  -1.999
  743    HB3  GLN 129           HB1      GLN 129   7.734  11.166  -0.380
  744    HG2  GLN 129           HG2      GLN 129   9.199  13.197  -0.486
  745    HG3  GLN 129           HG1      GLN 129   8.532  13.569  -2.077
  746   HE21  GLN 129          HE21      GLN 129   8.260  15.577  -0.367
  747   HE22  GLN 129          HE22      GLN 129   6.625  15.614   0.302
  748    H    LYS 130           HN       LYS 130   9.523   9.449   0.167
  749    HA   LYS 130           HA       LYS 130  11.738  10.955   1.320
  750    HB2  LYS 130           HB2      LYS 130  10.043   9.728   2.667
  751    HB3  LYS 130           HB1      LYS 130  10.631   8.190   2.007
  752    HG2  LYS 130           HG2      LYS 130  12.870   8.615   3.009
  753    HG3  LYS 130           HG1      LYS 130  12.290  10.167   3.647
  754    HD2  LYS 130           HD2      LYS 130  10.655   8.992   5.058
  755    HD3  LYS 130           HD1      LYS 130  11.144   7.427   4.345
  756    HE2  LYS 130           HE2      LYS 130  13.478   7.817   5.132
  757    HE3  LYS 130           HE1      LYS 130  12.970   9.341   5.874
  758    HZ1  LYS 130           HZ1      LYS 130  12.112   6.611   6.620
  759    HZ2  LYS 130           HZ2      LYS 130  11.390   7.971   7.222
  760    HZ3  LYS 130           HZ3      LYS 130  12.978   7.661   7.540
  761    H    GLU 131           HN       GLU 131  11.570   7.767  -0.293
  762    HA   GLU 131           HA       GLU 131  14.374   7.179  -0.067
  763    HB2  GLU 131           HB2      GLU 131  12.270   6.229  -2.043
  764    HB3  GLU 131           HB1      GLU 131  13.858   5.492  -1.844
  765    HG2  GLU 131           HG2      GLU 131  11.737   5.621   0.350
  766    HG3  GLU 131           HG1      GLU 131  11.945   4.284  -0.762
  767    H    SER 132           HN       SER 132  12.470   8.860  -2.605
  768    HA   SER 132           HA       SER 132  14.640   9.203  -4.481
  769    HB2  SER 132           HB2      SER 132  12.235   9.307  -5.053
  770    HB3  SER 132           HB1      SER 132  12.079  10.804  -4.112
  771    HG   SER 132           HG       SER 132  13.634  11.717  -5.595
  772    H    GLN 133           HN       GLN 133  13.433  11.208  -1.749
  773    HA   GLN 133           HA       GLN 133  15.285  13.383  -2.196
  774    HB2  GLN 133           HB2      GLN 133  13.236  13.439  -0.698
  775    HB3  GLN 133           HB1      GLN 133  14.112  12.403   0.436
  776    HG2  GLN 133           HG2      GLN 133  15.959  14.272   0.360
  777    HG3  GLN 133           HG1      GLN 133  14.705  15.271  -0.372
  778   HE21  GLN 133          HE21      GLN 133  16.032  14.148   2.571
  779   HE22  GLN 133          HE22      GLN 133  14.699  14.666   3.602
  780    H    ALA 134           HN       ALA 134  15.502  10.367  -0.176
  781    HA   ALA 134           HA       ALA 134  18.171  10.848   0.711
  782    HB1  ALA 134           HB1      ALA 134  18.129   8.461   1.306
  783    HB2  ALA 134           HB2      ALA 134  16.661   8.224   0.333
  784    HB3  ALA 134           HB3      ALA 134  16.617   9.265   1.777
  785    H    TYR 135           HN       TYR 135  17.032   9.049  -2.193
  786    HA   TYR 135           HA       TYR 135  19.590   8.310  -3.170
  787    HB2  TYR 135           HB2      TYR 135  17.508   7.350  -3.975
  788    HB3  TYR 135           HB1      TYR 135  16.957   8.915  -4.567
  789    HD1  TYR 135           HD1      TYR 135  19.798   6.486  -4.989
  790    HD2  TYR 135           HD2      TYR 135  17.327   9.511  -6.810
  791    HE1  TYR 135           HE1      TYR 135  20.974   6.142  -7.152
  792    HE2  TYR 135           HE2      TYR 135  18.504   9.156  -8.984
  793    HH   TYR 135           HH       TYR 135  21.129   6.779  -9.319
  794    H    TYR 136           HN       TYR 136  18.015  11.452  -3.298
  795    HA   TYR 136           HA       TYR 136  20.009  12.598  -5.148
  796    HB2  TYR 136           HB2      TYR 136  17.675  13.370  -5.143
  797    HB3  TYR 136           HB1      TYR 136  17.787  13.803  -3.450
  798    HD1  TYR 136           HD2      TYR 136  19.182  15.723  -2.701
  799    HD2  TYR 136           HD1      TYR 136  18.593  14.810  -6.870
  800    HE1  TYR 136           HE2      TYR 136  19.971  18.005  -3.308
  801    HE2  TYR 136           HE1      TYR 136  19.379  17.093  -7.483
  802    HH   TYR 136           HH       TYR 136  20.226  19.044  -6.715
  803    H    ASP 137           HN       ASP 137  19.491  12.313  -1.654
  804    HA   ASP 137           HA       ASP 137  21.395  14.331  -0.853
  805    HB2  ASP 137           HB2      ASP 137  19.234  13.387   0.295
  806    HB3  ASP 137           HB1      ASP 137  20.277  12.102   0.880
  807    H    GLY 138           HN       GLY 138  21.506  10.724  -0.901
  808    HA2  GLY 138           HA2      GLY 138  23.848  10.109  -1.927
  809    HA3  GLY 138           HA1      GLY 138  24.436  10.697  -0.372
  810   HM21  VIB   1          HAG1      VB1   1  -6.380   5.376   7.815
  811   HM22  VIB   1          HAG2      VB1   1  -6.724   5.761   9.501
  812   HM23  VIB   1          HAG3      VB1   1  -7.405   4.300   8.778
  813   H4A1  VIB   1          HAI1      VB1   1 -10.514   8.115  10.530
  814   H4A2  VIB   1          HAI2      VB1   1 -11.706   8.558   9.351
  815   HM41  VIB   1          HAM1      VB1   1 -14.951   8.882   7.840
  816   HM42  VIB   1          HAM2      VB1   1 -15.348  10.461   7.195
  817   HM43  VIB   1          HAM3      VB1   1 -15.831   9.040   6.295
  818    HO1  VIB   1           HAR      VB1   1 -16.478  12.954   4.116
  819   HC71  VIB   1          HAQ2      VB1   1 -16.167  10.950   3.022
  820   HC72  VIB   1          HAQ3      VB1   1 -16.277  10.759   4.776
  821   HC61  VIB   1          HAP2      VB1   1 -13.658  11.136   3.246
  822   HC62  VIB   1          HAP3      VB1   1 -14.319   9.553   3.604
  823    HC2  VIB   1           HAO      VB1   1 -10.672  10.239   7.213
  824   H7A1  VIB   1          HAA2      VB1   1 -12.811   7.344   7.723
  825   H7A2  VIB   1          HAA3      VB1   1 -12.338   7.205   6.046
  826   H6AC  VIB   1          H6        VB1   1 -10.114   6.628   5.413