*HEADER    PRION PROTEIN                           11-MAY-00   1E1W
*TITLE     HUMAN PRION PROTEIN VARIANT R220K
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PRION PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: GLOBULAR DOMAIN 125-228;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI
*KEYWDS    PRION PROTEIN
*EXPDTA    NMR, 1 STRUCTURES
*AUTHOR    L.CALZOLAI,D.A.LYSEK,P.GUNTERT,C.VON SCHROETTER,R.ZAHN,
*AUTHOR   2 R.RIEK,K.WUTHRICH




  Entry H atom name         Submitted Coord H atom name
    1    H    LEU 125           H        LEU 125  10.199 -11.424   7.735
    2    HA   LEU 125           HA       LEU 125  10.629  -8.895   6.321
    3   1HB   LEU 125          1HB       LEU 125   8.992  -9.233   8.866
    4   2HB   LEU 125          2HB       LEU 125   9.748  -7.711   8.410
    5    HG   LEU 125           HG       LEU 125   7.701  -9.129   6.648
    6   1HD1  LEU 125          1HD1      LEU 125   7.351  -6.973   8.758
    7   2HD1  LEU 125          2HD1      LEU 125   6.116  -7.452   7.581
    8   3HD1  LEU 125          3HD1      LEU 125   6.688  -8.620   8.782
    9   1HD2  LEU 125          1HD2      LEU 125   9.138  -7.438   5.472
   10   2HD2  LEU 125          2HD2      LEU 125   7.448  -6.944   5.587
   11   3HD2  LEU 125          3HD2      LEU 125   8.633  -6.225   6.685
   12    H    GLY 126           H        GLY 126  12.822  -9.495   6.480
   13   1HA   GLY 126          1HA       GLY 126  14.074 -10.257   8.988
   14   2HA   GLY 126          2HA       GLY 126  14.884  -9.766   7.496
   15    H    GLY 127           H        GLY 127  12.730  -7.353   8.087
   16   1HA   GLY 127          1HA       GLY 127  13.488  -5.820  10.204
   17   2HA   GLY 127          2HA       GLY 127  14.707  -5.425   8.969
   18    H    TYR 128           H        TYR 128  13.768  -5.044   6.700
   19    HA   TYR 128           HA       TYR 128  12.792  -3.512   5.425
   20   1HB   TYR 128          1HB       TYR 128  10.596  -5.155   6.524
   21   2HB   TYR 128          2HB       TYR 128  10.082  -3.592   5.990
   22    HD1  TYR 128           HD1      TYR 128  12.522  -6.155   4.689
   23    HD2  TYR 128           HD2      TYR 128   9.157  -3.616   3.840
   24    HE1  TYR 128           HE1      TYR 128  12.501  -6.965   2.341
   25    HE2  TYR 128           HE2      TYR 128   9.151  -4.377   1.496
   26    HH   TYR 128           HH       TYR 128  10.128  -5.915  -0.071
   27    H    MET 129           H        MET 129  10.686  -1.632   5.854
   28    HA   MET 129           HA       MET 129  11.075  -0.433   8.451
   29   1HB   MET 129          1HB       MET 129  12.830   0.644   7.220
   30   2HB   MET 129          2HB       MET 129  11.793   0.949   5.822
   31   1HG   MET 129          1HG       MET 129  10.693   2.706   6.852
   32   2HG   MET 129          2HG       MET 129  10.961   2.074   8.471
   33   1HE   MET 129          1HE       MET 129  13.771   2.553   5.705
   34   2HE   MET 129          2HE       MET 129  12.716   3.957   5.426
   35   3HE   MET 129          3HE       MET 129  14.345   4.191   6.093
   36    H    LEU 130           H        LEU 130   9.255   0.423   9.114
   37    HA   LEU 130           HA       LEU 130   6.825   0.487   7.395
   38   1HB   LEU 130          1HB       LEU 130   6.654  -0.288   9.753
   39   2HB   LEU 130          2HB       LEU 130   7.366   1.216  10.320
   40    HG   LEU 130           HG       LEU 130   5.434   2.502   9.543
   41   1HD1  LEU 130          1HD1      LEU 130   4.577  -0.134   8.299
   42   2HD1  LEU 130          2HD1      LEU 130   3.389   1.060   8.784
   43   3HD1  LEU 130          3HD1      LEU 130   4.607   1.493   7.587
   44   1HD2  LEU 130          1HD2      LEU 130   5.389   1.309  11.766
   45   2HD2  LEU 130          2HD2      LEU 130   3.804   1.681  11.075
   46   3HD2  LEU 130          3HD2      LEU 130   4.435   0.021  10.998
   47    H    GLY 131           H        GLY 131   6.379   2.384   6.278
   48   1HA   GLY 131          1HA       GLY 131   8.113   4.714   6.499
   49   2HA   GLY 131          2HA       GLY 131   6.637   4.572   5.528
   50    H    SER 132           H        SER 132   4.584   5.062   6.506
   51    HA   SER 132           HA       SER 132   4.215   5.416   9.271
   52   1HB   SER 132          1HB       SER 132   5.330   7.706   8.322
   53   2HB   SER 132          2HB       SER 132   3.665   7.946   7.746
   54    HG   SER 132           HG       SER 132   4.379   7.296  10.421
   55    H    ALA 133           H        ALA 133   1.788   6.481   9.409
   56    HA   ALA 133           HA       ALA 133   0.126   5.266   7.370
   57   1HB   ALA 133          1HB       ALA 133  -0.715   5.612   9.722
   58   2HB   ALA 133          2HB       ALA 133  -1.743   6.338   8.490
   59   3HB   ALA 133          3HB       ALA 133  -0.639   7.370   9.442
   60    H    MET 134           H        MET 134  -0.547   6.196   5.480
   61    HA   MET 134           HA       MET 134   0.170   8.958   4.857
   62   1HB   MET 134          1HB       MET 134  -0.129   6.542   3.398
   63   2HB   MET 134          2HB       MET 134  -1.514   7.513   2.923
   64   1HG   MET 134          1HG       MET 134   0.431   7.804   1.499
   65   2HG   MET 134          2HG       MET 134  -0.061   9.329   2.241
   66   1HE   MET 134          1HE       MET 134   2.671   6.658   1.773
   67   2HE   MET 134          2HE       MET 134   3.806   6.942   3.099
   68   3HE   MET 134          3HE       MET 134   2.210   6.249   3.446
   69    H    SER 135           H        SER 135  -1.915   9.871   3.422
   70    HA   SER 135           HA       SER 135  -3.751  10.571   5.575
   71   1HB   SER 135          1HB       SER 135  -2.438  12.152   3.908
   72   2HB   SER 135          2HB       SER 135  -3.768  11.790   2.804
   73    HG   SER 135           HG       SER 135  -4.076  12.749   5.484
   74    H    ARG 136           H        ARG 136  -3.898   7.897   3.986
   75    HA   ARG 136           HA       ARG 136  -5.482   6.523   3.122
   76   1HB   ARG 136          1HB       ARG 136  -7.673   6.651   3.945
   77   2HB   ARG 136          2HB       ARG 136  -7.470   8.321   4.488
   78   1HG   ARG 136          1HG       ARG 136  -5.798   5.941   5.440
   79   2HG   ARG 136          2HG       ARG 136  -5.706   7.603   6.058
   80   1HD   ARG 136          1HD       ARG 136  -8.041   7.429   6.843
   81   2HD   ARG 136          2HD       ARG 136  -8.092   5.743   6.266
   82    HE   ARG 136           HE       ARG 136  -5.901   6.455   8.100
   83   1HH1  ARG 136          1HH1      ARG 136  -9.262   5.302   7.971
   84   2HH1  ARG 136          2HH1      ARG 136  -9.144   4.351   9.434
   85   1HH2  ARG 136          1HH2      ARG 136  -5.840   5.397  10.156
   86   2HH2  ARG 136          2HH2      ARG 136  -7.266   4.646  10.782
   87    HA   PRO 137           HA       PRO 137  -6.082   9.166  -0.595
   88   1HB   PRO 137          1HB       PRO 137  -5.045   7.377  -2.417
   89   2HB   PRO 137          2HB       PRO 137  -4.041   8.548  -1.531
   90   1HG   PRO 137          1HG       PRO 137  -4.419   5.618  -0.990
   91   2HG   PRO 137          2HG       PRO 137  -2.938   6.600  -0.839
   92   1HD   PRO 137          1HD       PRO 137  -4.621   5.860   1.263
   93   2HD   PRO 137          2HD       PRO 137  -3.514   7.247   1.316
   94    H    ILE 138           H        ILE 138  -7.520   8.524  -2.506
   95    HA   ILE 138           HA       ILE 138  -9.237   6.228  -1.924
   96    HB   ILE 138           HB       ILE 138 -10.181   8.109  -0.779
   97   1HG1  ILE 138          1HG1      ILE 138 -11.821   7.812  -3.306
   98   2HG1  ILE 138          2HG1      ILE 138 -11.445   6.432  -2.278
   99   1HG2  ILE 138          1HG2      ILE 138 -10.139   9.662  -3.406
  100   2HG2  ILE 138          2HG2      ILE 138 -10.979  10.143  -1.925
  101   3HG2  ILE 138          3HG2      ILE 138  -9.218  10.044  -1.934
  102   1HD1  ILE 138          1HD1      ILE 138 -12.823   8.948  -1.280
  103   2HD1  ILE 138          2HD1      ILE 138 -13.622   7.418  -1.694
  104   3HD1  ILE 138          3HD1      ILE 138 -12.466   7.474  -0.347
  105    H    ILE 139           H        ILE 139 -10.287   5.426  -3.774
  106    HA   ILE 139           HA       ILE 139  -9.008   6.221  -6.334
  107    HB   ILE 139           HB       ILE 139  -9.594   3.414  -5.352
  108   1HG1  ILE 139          1HG1      ILE 139  -7.815   4.344  -3.963
  109   2HG1  ILE 139          2HG1      ILE 139  -7.300   3.008  -4.965
  110   1HG2  ILE 139          1HG2      ILE 139  -8.080   4.406  -7.800
  111   2HG2  ILE 139          2HG2      ILE 139  -8.200   2.710  -7.279
  112   3HG2  ILE 139          3HG2      ILE 139  -9.649   3.575  -7.775
  113   1HD1  ILE 139          1HD1      ILE 139  -6.119   4.536  -6.477
  114   2HD1  ILE 139          2HD1      ILE 139  -6.638   5.925  -5.478
  115   3HD1  ILE 139          3HD1      ILE 139  -5.570   4.675  -4.801
  116    H    HIS 140           H        HIS 140 -10.428   6.432  -7.917
  117    HA   HIS 140           HA       HIS 140 -13.312   5.925  -7.307
  118   1HB   HIS 140          1HB       HIS 140 -12.005   7.909  -9.189
  119   2HB   HIS 140          2HB       HIS 140 -13.748   7.726  -8.901
  120    HD1  HIS 140           HD1      HIS 140 -14.176   7.838  -5.868
  121    HD2  HIS 140           HD2      HIS 140 -10.881   9.747  -7.730
  122    HE1  HIS 140           HE1      HIS 140 -13.318   9.540  -4.251
  123    H    PHE 141           H        PHE 141 -12.961   3.740  -7.738
  124    HA   PHE 141           HA       PHE 141 -11.796   2.543  -9.951
  125   1HB   PHE 141          1HB       PHE 141 -13.096   0.582  -9.371
  126   2HB   PHE 141          2HB       PHE 141 -14.211   1.549  -8.416
  127    HD1  PHE 141           HD1      PHE 141 -10.767   0.154  -8.589
  128    HD2  PHE 141           HD2      PHE 141 -13.629   2.312  -6.192
  129    HE1  PHE 141           HE1      PHE 141  -9.332  -0.148  -6.601
  130    HE2  PHE 141           HE2      PHE 141 -12.193   2.002  -4.195
  131    HZ   PHE 141           HZ       PHE 141 -10.037   0.775  -4.390
  132    H    GLY 142           H        GLY 142 -14.933   4.051  -9.692
  133   1HA   GLY 142          1HA       GLY 142 -15.777   5.032 -11.808
  134   2HA   GLY 142          2HA       GLY 142 -15.380   3.534 -12.638
  135    H    SER 143           H        SER 143 -16.887   3.615  -9.441
  136    HA   SER 143           HA       SER 143 -19.615   3.469 -10.427
  137   1HB   SER 143          1HB       SER 143 -18.135   1.062  -9.500
  138   2HB   SER 143          2HB       SER 143 -19.559   1.412  -8.520
  139    HG   SER 143           HG       SER 143 -20.832   1.426 -10.335
  140    H    ASP 144           H        ASP 144 -20.882   4.534  -8.948
  141    HA   ASP 144           HA       ASP 144 -19.835   5.834  -6.628
  142   1HB   ASP 144          1HB       ASP 144 -21.861   6.497  -8.015
  143   2HB   ASP 144          2HB       ASP 144 -22.074   6.524  -6.260
  144    H    TYR 145           H        TYR 145 -21.505   2.779  -7.201
  145    HA   TYR 145           HA       TYR 145 -21.834   1.796  -4.579
  146   1HB   TYR 145          1HB       TYR 145 -22.794   0.601  -6.380
  147   2HB   TYR 145          2HB       TYR 145 -21.272   0.508  -7.267
  148    HD1  TYR 145           HD1      TYR 145 -22.826  -0.602  -4.022
  149    HD2  TYR 145           HD2      TYR 145 -20.052  -1.495  -7.205
  150    HE1  TYR 145           HE1      TYR 145 -22.287  -2.750  -2.961
  151    HE2  TYR 145           HE2      TYR 145 -19.449  -3.619  -6.091
  152    HH   TYR 145           HH       TYR 145 -20.486  -4.484  -2.858
  153    H    GLU 146           H        GLU 146 -19.002   1.360  -6.772
  154    HA   GLU 146           HA       GLU 146 -17.436   0.065  -4.754
  155   1HB   GLU 146          1HB       GLU 146 -16.696   1.242  -7.450
  156   2HB   GLU 146          2HB       GLU 146 -15.513   0.472  -6.371
  157   1HG   GLU 146          1HG       GLU 146 -16.952  -1.570  -6.279
  158   2HG   GLU 146          2HG       GLU 146 -18.032  -0.820  -7.451
  159    H    ASP 147           H        ASP 147 -18.207   3.362  -5.242
  160    HA   ASP 147           HA       ASP 147 -15.819   4.472  -4.019
  161   1HB   ASP 147          1HB       ASP 147 -17.702   5.587  -5.583
  162   2HB   ASP 147          2HB       ASP 147 -18.425   5.973  -4.026
  163    H    ARG 148           H        ARG 148 -19.202   3.837  -2.954
  164    HA   ARG 148           HA       ARG 148 -18.715   4.316  -0.135
  165   1HB   ARG 148          1HB       ARG 148 -20.821   2.695  -1.626
  166   2HB   ARG 148          2HB       ARG 148 -20.624   2.542   0.112
  167   1HG   ARG 148          1HG       ARG 148 -20.882   5.037   0.339
  168   2HG   ARG 148          2HG       ARG 148 -22.306   4.088  -0.076
  169   1HD   ARG 148          1HD       ARG 148 -20.628   5.685  -2.069
  170   2HD   ARG 148          2HD       ARG 148 -21.983   4.631  -2.488
  171    HE   ARG 148           HE       ARG 148 -22.460   6.822  -0.554
  172   1HH1  ARG 148          1HH1      ARG 148 -22.948   5.593  -3.854
  173   2HH1  ARG 148          2HH1      ARG 148 -24.072   6.810  -4.314
  174   1HH2  ARG 148          1HH2      ARG 148 -24.033   8.508  -1.195
  175   2HH2  ARG 148          2HH2      ARG 148 -24.677   8.480  -2.769
  176    H    TYR 149           H        TYR 149 -18.402   1.420  -2.173
  177    HA   TYR 149           HA       TYR 149 -17.985  -0.511  -0.258
  178   1HB   TYR 149          1HB       TYR 149 -18.140  -0.628  -2.817
  179   2HB   TYR 149          2HB       TYR 149 -16.394  -0.392  -2.839
  180    HD1  TYR 149           HD1      TYR 149 -16.431  -2.377  -0.107
  181    HD2  TYR 149           HD2      TYR 149 -17.630  -2.567  -4.248
  182    HE1  TYR 149           HE1      TYR 149 -16.245  -4.850  -0.059
  183    HE2  TYR 149           HE2      TYR 149 -17.414  -5.016  -4.218
  184    HH   TYR 149           HH       TYR 149 -16.567  -6.891  -2.924
  185    H    TYR 150           H        TYR 150 -15.321   1.438  -1.823
  186    HA   TYR 150           HA       TYR 150 -13.398   0.471   0.091
  187   1HB   TYR 150          1HB       TYR 150 -12.524   1.330  -1.952
  188   2HB   TYR 150          2HB       TYR 150 -13.394   2.867  -1.791
  189    HD1  TYR 150           HD1      TYR 150 -10.827   0.756  -0.008
  190    HD2  TYR 150           HD2      TYR 150 -12.222   4.751  -0.850
  191    HE1  TYR 150           HE1      TYR 150  -8.784   1.711   1.061
  192    HE2  TYR 150           HE2      TYR 150 -10.158   5.677   0.162
  193    HH   TYR 150           HH       TYR 150  -7.952   5.089   0.786
  194    H    ARG 151           H        ARG 151 -15.310   3.531  -0.119
  195    HA   ARG 151           HA       ARG 151 -14.138   4.909   1.981
  196   1HB   ARG 151          1HB       ARG 151 -16.920   4.809   0.822
  197   2HB   ARG 151          2HB       ARG 151 -16.673   5.786   2.213
  198   1HG   ARG 151          1HG       ARG 151 -15.043   6.064  -0.354
  199   2HG   ARG 151          2HG       ARG 151 -16.498   6.997  -0.002
  200   1HD   ARG 151          1HD       ARG 151 -13.876   7.080   1.545
  201   2HD   ARG 151          2HD       ARG 151 -14.557   8.345   0.506
  202    HE   ARG 151           HE       ARG 151 -16.517   7.864   2.352
  203   1HH1  ARG 151          1HH1      ARG 151 -13.145   9.079   2.431
  204   2HH1  ARG 151          2HH1      ARG 151 -13.450  10.122   3.771
  205   1HH2  ARG 151          1HH2      ARG 151 -16.801   9.125   4.235
  206   2HH2  ARG 151          2HH2      ARG 151 -15.455   9.849   5.038
  207    H    GLU 152           H        GLU 152 -16.737   2.475   2.300
  208    HA   GLU 152           HA       GLU 152 -16.997   2.855   5.164
  209   1HB   GLU 152          1HB       GLU 152 -18.006   0.834   3.139
  210   2HB   GLU 152          2HB       GLU 152 -18.311   0.630   4.861
  211   1HG   GLU 152          1HG       GLU 152 -18.973   3.310   3.611
  212   2HG   GLU 152          2HG       GLU 152 -20.051   1.979   3.283
  213    H    ASN 153           H        ASN 153 -15.362   0.400   3.071
  214    HA   ASN 153           HA       ASN 153 -14.407  -1.096   5.375
  215   1HB   ASN 153          1HB       ASN 153 -13.825  -1.272   2.406
  216   2HB   ASN 153          2HB       ASN 153 -13.029  -2.305   3.593
  217   2HD2  ASN 153          2HD2      ASN 153 -15.000  -2.945   1.408
  218   1HD2  ASN 153          1HD2      ASN 153 -16.329  -3.773   2.227
  219    H    MET 154           H        MET 154 -13.173   1.772   3.879
  220    HA   MET 154           HA       MET 154 -10.458   1.324   3.956
  221   1HB   MET 154          1HB       MET 154 -11.093   3.102   2.756
  222   2HB   MET 154          2HB       MET 154 -12.328   3.642   3.888
  223   1HG   MET 154          1HG       MET 154 -10.852   4.715   5.272
  224   2HG   MET 154          2HG       MET 154  -9.427   3.993   4.603
  225   1HE   MET 154          1HE       MET 154 -11.401   6.701   4.847
  226   2HE   MET 154          2HE       MET 154 -11.358   7.706   3.362
  227   3HE   MET 154          3HE       MET 154 -12.374   6.222   3.422
  228    H    HIS 155           H        HIS 155 -12.582   1.800   6.706
  229    HA   HIS 155           HA       HIS 155 -10.476   2.438   8.588
  230   1HB   HIS 155          1HB       HIS 155 -13.378   1.692   8.742
  231   2HB   HIS 155          2HB       HIS 155 -12.381   1.372  10.155
  232    HD1  HIS 155           HD1      HIS 155 -13.611   3.278  11.548
  233    HD2  HIS 155           HD2      HIS 155 -11.697   4.525   8.014
  234    HE1  HIS 155           HE1      HIS 155 -13.276   5.828  11.734
  235    H    ARG 156           H        ARG 156 -11.999  -0.697   7.566
  236    HA   ARG 156           HA       ARG 156 -10.290  -2.173   9.388
  237   1HB   ARG 156          1HB       ARG 156 -10.956  -4.206   8.185
  238   2HB   ARG 156          2HB       ARG 156 -12.323  -3.270   8.778
  239   1HG   ARG 156          1HG       ARG 156 -12.984  -2.615   6.602
  240   2HG   ARG 156          2HG       ARG 156 -11.396  -2.995   5.914
  241   1HD   ARG 156          1HD       ARG 156 -11.739  -5.332   6.088
  242   2HD   ARG 156          2HD       ARG 156 -13.007  -4.575   5.134
  243    HE   ARG 156           HE       ARG 156 -14.487  -4.715   7.146
  244   1HH1  ARG 156          1HH1      ARG 156 -11.794  -7.044   6.745
  245   2HH1  ARG 156          2HH1      ARG 156 -12.557  -8.268   7.656
  246   1HH2  ARG 156          1HH2      ARG 156 -15.539  -6.506   8.330
  247   2HH2  ARG 156          2HH2      ARG 156 -14.719  -8.017   8.391
  248    H    TYR 157           H        TYR 157  -9.930  -1.063   6.054
  249    HA   TYR 157           HA       TYR 157  -7.803  -2.790   5.266
  250   1HB   TYR 157          1HB       TYR 157  -8.910  -0.120   4.345
  251   2HB   TYR 157          2HB       TYR 157  -7.499  -0.769   3.595
  252    HD1  TYR 157           HD1      TYR 157  -9.670  -3.580   4.359
  253    HD2  TYR 157           HD2      TYR 157  -8.961  -0.334   1.592
  254    HE1  TYR 157           HE1      TYR 157 -10.982  -4.744   2.626
  255    HE2  TYR 157           HE2      TYR 157 -10.266  -1.485  -0.114
  256    HH   TYR 157           HH       TYR 157 -11.811  -4.690   0.461
  257    HA   PRO 158           HA       PRO 158  -4.130  -0.846   6.816
  258   1HB   PRO 158          1HB       PRO 158  -2.455  -0.711   4.564
  259   2HB   PRO 158          2HB       PRO 158  -2.685  -2.127   5.609
  260   1HG   PRO 158          1HG       PRO 158  -3.394  -3.099   3.596
  261   2HG   PRO 158          2HG       PRO 158  -3.942  -1.527   2.949
  262   1HD   PRO 158          1HD       PRO 158  -6.026  -2.381   3.575
  263   2HD   PRO 158          2HD       PRO 158  -5.338  -3.383   4.873
  264    H    ASN 159           H        ASN 159  -3.047   1.079   6.942
  265    HA   ASN 159           HA       ASN 159  -3.631   3.238   4.993
  266   1HB   ASN 159          1HB       ASN 159  -3.898   4.904   6.679
  267   2HB   ASN 159          2HB       ASN 159  -5.143   3.671   6.850
  268   2HD2  ASN 159          2HD2      ASN 159  -5.442   2.927   8.905
  269   1HD2  ASN 159          1HD2      ASN 159  -4.253   2.833  10.155
  270    H    GLN 160           H        GLN 160  -1.304   1.427   6.565
  271    HA   GLN 160           HA       GLN 160   0.832   3.421   6.023
  272   1HB   GLN 160          1HB       GLN 160   1.211   1.022   7.776
  273   2HB   GLN 160          2HB       GLN 160   2.118   2.540   7.720
  274   1HG   GLN 160          1HG       GLN 160   0.272   3.660   8.931
  275   2HG   GLN 160          2HG       GLN 160  -0.641   2.148   8.957
  276   2HE2  GLN 160          2HE2      GLN 160   1.284   4.020  10.939
  277   1HE2  GLN 160          1HE2      GLN 160   1.872   2.721  11.950
  278    H    VAL 161           H        VAL 161   2.855   2.223   5.185
  279    HA   VAL 161           HA       VAL 161   2.317  -0.426   4.059
  280    HB   VAL 161           HB       VAL 161   2.958   0.168   1.834
  281   1HG1  VAL 161          1HG1      VAL 161   0.549   0.569   2.485
  282   2HG1  VAL 161          2HG1      VAL 161   0.942   2.290   2.580
  283   3HG1  VAL 161          3HG1      VAL 161   1.149   1.396   1.053
  284   1HG2  VAL 161          1HG2      VAL 161   4.584   2.023   2.323
  285   2HG2  VAL 161          2HG2      VAL 161   3.393   2.490   1.112
  286   3HG2  VAL 161          3HG2      VAL 161   3.245   3.084   2.777
  287    H    TYR 162           H        TYR 162   4.379  -1.410   3.198
  288    HA   TYR 162           HA       TYR 162   6.630  -0.743   5.049
  289   1HB   TYR 162          1HB       TYR 162   5.339  -3.390   4.312
  290   2HB   TYR 162          2HB       TYR 162   6.932  -3.283   5.033
  291    HD1  TYR 162           HD1      TYR 162   7.230  -2.363   7.352
  292    HD2  TYR 162           HD2      TYR 162   3.355  -3.245   5.685
  293    HE1  TYR 162           HE1      TYR 162   6.302  -2.487   9.623
  294    HE2  TYR 162           HE2      TYR 162   2.396  -3.385   7.948
  295    HH   TYR 162           HH       TYR 162   4.330  -2.687  10.895
  296    H    TYR 163           H        TYR 163   8.581  -0.562   4.079
  297    HA   TYR 163           HA       TYR 163   9.079  -1.755   1.425
  298   1HB   TYR 163          1HB       TYR 163   8.348   0.584   1.072
  299   2HB   TYR 163          2HB       TYR 163   9.974   0.240   0.543
  300    HD1  TYR 163           HD1      TYR 163   8.649   1.371   3.980
  301    HD2  TYR 163           HD2      TYR 163  11.164   2.215   0.560
  302    HE1  TYR 163           HE1      TYR 163   9.418   3.430   5.047
  303    HE2  TYR 163           HE2      TYR 163  11.888   4.307   1.627
  304    HH   TYR 163           HH       TYR 163  10.529   5.929   3.603
  305    H    ARG 164           H        ARG 164  11.607  -1.529   1.012
  306    HA   ARG 164           HA       ARG 164  13.099  -1.869   3.580
  307   1HB   ARG 164          1HB       ARG 164  14.013  -2.066   0.662
  308   2HB   ARG 164          2HB       ARG 164  15.082  -2.101   2.065
  309   1HG   ARG 164          1HG       ARG 164  13.701  -4.142   2.847
  310   2HG   ARG 164          2HG       ARG 164  13.125  -4.197   1.157
  311   1HD   ARG 164          1HD       ARG 164  15.574  -4.160   0.442
  312   2HD   ARG 164          2HD       ARG 164  16.005  -4.283   2.151
  313    HE   ARG 164           HE       ARG 164  14.277  -6.334   0.844
  314   1HH1  ARG 164          1HH1      ARG 164  17.557  -5.576   2.014
  315   2HH1  ARG 164          2HH1      ARG 164  17.991  -7.246   2.191
  316   1HH2  ARG 164          1HH2      ARG 164  14.923  -8.444   0.916
  317   2HH2  ARG 164          2HH2      ARG 164  16.555  -8.871   1.238
  318    HA   PRO 165           HA       PRO 165  14.440   2.469   2.860
  319   1HB   PRO 165          1HB       PRO 165  17.137   2.280   3.493
  320   2HB   PRO 165          2HB       PRO 165  15.833   2.481   4.695
  321   1HG   PRO 165          1HG       PRO 165  16.832   0.459   5.479
  322   2HG   PRO 165          2HG       PRO 165  17.199  -0.074   3.805
  323   1HD   PRO 165          1HD       PRO 165  15.250  -1.309   4.181
  324   2HD   PRO 165          2HD       PRO 165  14.539  -0.056   5.238
  325    H    MET 166           H        MET 166  15.944   3.517   1.326
  326    HA   MET 166           HA       MET 166  15.910   2.251  -1.210
  327   1HB   MET 166          1HB       MET 166  17.185   4.808  -0.158
  328   2HB   MET 166          2HB       MET 166  17.320   4.331  -1.844
  329   1HG   MET 166          1HG       MET 166  15.551   5.916  -1.532
  330   2HG   MET 166          2HG       MET 166  14.939   4.387  -2.166
  331   1HE   MET 166          1HE       MET 166  13.587   7.136  -0.640
  332   2HE   MET 166          2HE       MET 166  12.627   5.958  -1.569
  333   3HE   MET 166          3HE       MET 166  12.178   6.349   0.113
  334    H    ASP 167           H        ASP 167  18.030   1.450   1.175
  335    HA   ASP 167           HA       ASP 167  20.523   1.273  -0.333
  336   1HB   ASP 167          1HB       ASP 167  19.661   0.869   2.502
  337   2HB   ASP 167          2HB       ASP 167  20.953  -0.182   1.942
  338    H    GLU 168           H        GLU 168  19.652   0.134  -2.029
  339    HA   GLU 168           HA       GLU 168  21.022  -1.972  -2.610
  340   1HB   GLU 168          1HB       GLU 168  18.611  -3.154  -1.245
  341   2HB   GLU 168          2HB       GLU 168  19.156  -3.895  -2.740
  342   1HG   GLU 168          1HG       GLU 168  21.435  -4.144  -1.915
  343   2HG   GLU 168          2HG       GLU 168  20.973  -3.482  -0.346
  344    H    TYR 169           H        TYR 169  17.495  -1.525  -2.878
  345    HA   TYR 169           HA       TYR 169  17.808  -1.184  -5.795
  346   1HB   TYR 169          1HB       TYR 169  16.089  -2.568  -6.377
  347   2HB   TYR 169          2HB       TYR 169  17.065  -3.504  -5.273
  348    HD1  TYR 169           HD1      TYR 169  16.164  -3.230  -2.635
  349    HD2  TYR 169           HD2      TYR 169  13.816  -2.976  -6.247
  350    HE1  TYR 169           HE1      TYR 169  14.175  -3.931  -1.385
  351    HE2  TYR 169           HE2      TYR 169  11.816  -3.754  -4.993
  352    HH   TYR 169           HH       TYR 169  11.867  -5.261  -2.246
  353    H    SER 170           H        SER 170  16.975   0.673  -6.466
  354    HA   SER 170           HA       SER 170  14.575   1.748  -5.116
  355   1HB   SER 170          1HB       SER 170  15.624   3.978  -5.044
  356   2HB   SER 170          2HB       SER 170  16.442   2.809  -4.018
  357    HG   SER 170           HG       SER 170  17.299   3.477  -6.630
  358    H    ASN 171           H        ASN 171  13.312   1.176  -6.759
  359    HA   ASN 171           HA       ASN 171  13.937   1.893  -9.590
  360   1HB   ASN 171          1HB       ASN 171  13.135  -0.751  -8.318
  361   2HB   ASN 171          2HB       ASN 171  12.740  -0.393 -10.001
  362   2HD2  ASN 171          2HD2      ASN 171  14.910   0.693 -11.181
  363   1HD2  ASN 171          1HD2      ASN 171  16.168  -0.512 -11.140
  364    H    GLN 172           H        GLN 172  12.290   3.180 -10.230
  365    HA   GLN 172           HA       GLN 172  10.130   4.026  -9.003
  366   1HB   GLN 172          1HB       GLN 172  10.242   3.415 -11.971
  367   2HB   GLN 172          2HB       GLN 172   9.043   4.458 -11.219
  368   1HG   GLN 172          1HG       GLN 172  10.806   6.060 -10.559
  369   2HG   GLN 172          2HG       GLN 172  12.023   5.023 -11.318
  370   2HE2  GLN 172          2HE2      GLN 172   9.261   7.229 -11.997
  371   1HE2  GLN 172          1HE2      GLN 172   9.308   7.073 -13.714
  372    H    ASN 173           H        ASN 173   9.817   1.129 -11.163
  373    HA   ASN 173           HA       ASN 173   7.054   0.663 -10.145
  374   1HB   ASN 173          1HB       ASN 173   8.744  -1.094 -11.963
  375   2HB   ASN 173          2HB       ASN 173   7.019  -1.195 -11.679
  376   2HD2  ASN 173          2HD2      ASN 173   9.216  -0.249 -13.912
  377   1HD2  ASN 173          1HD2      ASN 173   8.179   0.706 -14.898
  378    H    ASN 174           H        ASN 174  10.337  -0.723  -9.799
  379    HA   ASN 174           HA       ASN 174   9.236  -3.282  -8.964
  380   1HB   ASN 174          1HB       ASN 174  11.593  -2.621 -10.156
  381   2HB   ASN 174          2HB       ASN 174  12.139  -2.751  -8.474
  382   2HD2  ASN 174          2HD2      ASN 174  10.317  -4.526 -11.071
  383   1HD2  ASN 174          1HD2      ASN 174  10.785  -6.083 -10.477
  384    H    PHE 175           H        PHE 175  10.727  -0.527  -7.312
  385    HA   PHE 175           HA       PHE 175  10.801  -1.618  -4.655
  386   1HB   PHE 175          1HB       PHE 175  11.949   0.465  -5.766
  387   2HB   PHE 175          2HB       PHE 175  10.450   1.303  -5.436
  388    HD1  PHE 175           HD1      PHE 175  12.634  -1.087  -3.440
  389    HD2  PHE 175           HD2      PHE 175  10.926   2.887  -3.690
  390    HE1  PHE 175           HE1      PHE 175  13.747  -0.456  -1.345
  391    HE2  PHE 175           HE2      PHE 175  12.085   3.489  -1.606
  392    HZ   PHE 175           HZ       PHE 175  13.525   1.854  -0.458
  393    H    VAL 176           H        VAL 176   8.351  -0.053  -6.703
  394    HA   VAL 176           HA       VAL 176   6.311   0.236  -4.678
  395    HB   VAL 176           HB       VAL 176   6.372   0.321  -7.707
  396   1HG1  VAL 176          1HG1      VAL 176   3.918   0.345  -5.945
  397   2HG1  VAL 176          2HG1      VAL 176   4.006   1.235  -7.508
  398   3HG1  VAL 176          3HG1      VAL 176   4.229  -0.504  -7.467
  399   1HG2  VAL 176          1HG2      VAL 176   5.923   2.458  -5.607
  400   2HG2  VAL 176          2HG2      VAL 176   7.356   2.219  -6.594
  401   3HG2  VAL 176          3HG2      VAL 176   5.840   2.681  -7.365
  402    H    HIS 177           H        HIS 177   6.502  -2.106  -7.434
  403    HA   HIS 177           HA       HIS 177   4.299  -3.481  -6.516
  404   1HB   HIS 177          1HB       HIS 177   5.491  -3.429  -8.814
  405   2HB   HIS 177          2HB       HIS 177   6.456  -4.770  -8.207
  406    HD1  HIS 177           HD1      HIS 177   3.440  -5.785  -6.742
  407    HD2  HIS 177           HD2      HIS 177   4.526  -5.081 -10.740
  408    HE1  HIS 177           HE1      HIS 177   1.827  -7.138  -8.151
  409    H    ASP 178           H        ASP 178   7.610  -3.893  -5.415
  410    HA   ASP 178           HA       ASP 178   7.075  -6.446  -4.069
  411   1HB   ASP 178          1HB       ASP 178   9.397  -4.521  -4.101
  412   2HB   ASP 178          2HB       ASP 178   9.259  -5.755  -2.857
  413    H    CYS 179           H        CYS 179   7.245  -2.974  -3.044
  414    HA   CYS 179           HA       CYS 179   6.751  -3.554  -0.247
  415   1HB   CYS 179          1HB       CYS 179   7.479  -1.302  -0.635
  416   2HB   CYS 179          2HB       CYS 179   6.498  -1.133  -2.096
  417    H    VAL 180           H        VAL 180   4.608  -2.759  -3.043
  418    HA   VAL 180           HA       VAL 180   2.264  -2.588  -1.516
  419    HB   VAL 180           HB       VAL 180   2.672  -3.395  -4.421
  420   1HG1  VAL 180          1HG1      VAL 180   0.097  -2.691  -2.931
  421   2HG1  VAL 180          2HG1      VAL 180   0.246  -2.672  -4.699
  422   3HG1  VAL 180          3HG1      VAL 180   0.463  -4.184  -3.820
  423   1HG2  VAL 180          1HG2      VAL 180   3.411  -1.057  -3.786
  424   2HG2  VAL 180          2HG2      VAL 180   2.070  -1.096  -4.937
  425   3HG2  VAL 180          3HG2      VAL 180   1.776  -0.743  -3.219
  426    H    ASN 181           H        ASN 181   3.693  -5.393  -3.246
  427    HA   ASN 181           HA       ASN 181   1.783  -7.268  -2.311
  428   1HB   ASN 181          1HB       ASN 181   3.537  -7.667  -4.131
  429   2HB   ASN 181          2HB       ASN 181   4.721  -7.903  -2.838
  430   2HD2  ASN 181          2HD2      ASN 181   4.369  -9.911  -1.337
  431   1HD2  ASN 181          1HD2      ASN 181   3.332 -11.149  -1.954
  432    H    ILE 182           H        ILE 182   5.005  -6.470  -0.881
  433    HA   ILE 182           HA       ILE 182   4.751  -8.124   1.349
  434    HB   ILE 182           HB       ILE 182   6.150  -5.481   0.846
  435   1HG1  ILE 182          1HG1      ILE 182   6.893  -7.695  -0.207
  436   2HG1  ILE 182          2HG1      ILE 182   8.115  -6.793   0.671
  437   1HG2  ILE 182          1HG2      ILE 182   6.178  -6.992   3.478
  438   2HG2  ILE 182          2HG2      ILE 182   7.459  -5.851   2.984
  439   3HG2  ILE 182          3HG2      ILE 182   5.781  -5.292   3.184
  440   1HD1  ILE 182          1HD1      ILE 182   6.535  -9.048   1.973
  441   2HD1  ILE 182          2HD1      ILE 182   8.057  -9.289   1.070
  442   3HD1  ILE 182          3HD1      ILE 182   8.041  -8.265   2.519
  443    H    THR 183           H        THR 183   3.217  -4.980   0.857
  444    HA   THR 183           HA       THR 183   2.559  -4.720   3.689
  445    HB   THR 183           HB       THR 183   1.436  -3.297   1.245
  446    HG1  THR 183           HG1      THR 183   3.602  -2.909   1.467
  447   1HG2  THR 183          1HG2      THR 183   1.289  -2.593   4.219
  448   2HG2  THR 183          2HG2      THR 183   0.728  -1.574   2.880
  449   3HG2  THR 183          3HG2      THR 183  -0.076  -3.104   3.203
  450    H    ILE 184           H        ILE 184   0.704  -5.578   0.708
  451    HA   ILE 184           HA       ILE 184  -1.756  -6.015   2.124
  452    HB   ILE 184           HB       ILE 184  -0.940  -6.738  -0.682
  453   1HG1  ILE 184          1HG1      ILE 184  -2.341  -4.326   0.598
  454   2HG1  ILE 184          2HG1      ILE 184  -0.731  -4.296  -0.115
  455   1HG2  ILE 184          1HG2      ILE 184  -3.041  -7.924   0.227
  456   2HG2  ILE 184          2HG2      ILE 184  -3.713  -6.285   0.516
  457   3HG2  ILE 184          3HG2      ILE 184  -3.315  -6.840  -1.124
  458   1HD1  ILE 184          1HD1      ILE 184  -1.723  -4.960  -2.278
  459   2HD1  ILE 184          2HD1      ILE 184  -3.327  -4.746  -1.549
  460   3HD1  ILE 184          3HD1      ILE 184  -2.245  -3.361  -1.676
  461    H    LYS 185           H        LYS 185   0.864  -8.131   0.921
  462    HA   LYS 185           HA       LYS 185  -0.373 -10.602   1.526
  463   1HB   LYS 185          1HB       LYS 185   1.876  -9.991   0.156
  464   2HB   LYS 185          2HB       LYS 185   2.625 -10.290   1.687
  465   1HG   LYS 185          1HG       LYS 185   0.710 -12.409   1.171
  466   2HG   LYS 185          2HG       LYS 185   1.593 -12.102  -0.321
  467   1HD   LYS 185          1HD       LYS 185   2.752 -13.772   0.845
  468   2HD   LYS 185          2HD       LYS 185   3.735 -12.318   1.009
  469   1HE   LYS 185          1HE       LYS 185   3.135 -11.972   3.256
  470   2HE   LYS 185          2HE       LYS 185   1.665 -13.013   3.115
  471   1HZ   LYS 185          1HZ       LYS 185   3.188 -14.904   2.817
  472   2HZ   LYS 185          2HZ       LYS 185   4.489 -13.939   3.125
  473   3HZ   LYS 185          3HZ       LYS 185   3.396 -14.209   4.297
  474    H    GLN 186           H        GLN 186   1.854  -8.480   3.463
  475    HA   GLN 186           HA       GLN 186   1.814 -10.176   5.769
  476   1HB   GLN 186          1HB       GLN 186   2.353  -7.236   5.307
  477   2HB   GLN 186          2HB       GLN 186   2.168  -7.819   6.916
  478   1HG   GLN 186          1HG       GLN 186   4.553  -7.644   5.792
  479   2HG   GLN 186          2HG       GLN 186   4.151  -8.818   7.040
  480   2HE2  GLN 186          2HE2      GLN 186   5.841 -10.328   6.538
  481   1HE2  GLN 186          1HE2      GLN 186   5.892 -11.089   4.966
  482    H    HIS 187           H        HIS 187  -0.333  -7.461   4.713
  483    HA   HIS 187           HA       HIS 187  -2.023  -7.487   6.943
  484   1HB   HIS 187          1HB       HIS 187  -1.896  -6.050   4.558
  485   2HB   HIS 187          2HB       HIS 187  -3.429  -6.830   4.373
  486    HD1  HIS 187           HD1      HIS 187  -1.460  -4.373   6.520
  487    HD2  HIS 187           HD2      HIS 187  -5.287  -6.132   6.403
  488    HE1  HIS 187           HE1      HIS 187  -2.885  -3.111   8.235
  489    H    THR 188           H        THR 188  -2.255  -9.422   3.993
  490    HA   THR 188           HA       THR 188  -4.495 -11.021   4.508
  491    HB   THR 188           HB       THR 188  -1.871 -11.390   3.056
  492    HG1  THR 188           HG1      THR 188  -3.231  -9.991   2.147
  493   1HG2  THR 188          1HG2      THR 188  -4.035 -13.467   3.307
  494   2HG2  THR 188          2HG2      THR 188  -2.916 -13.392   1.929
  495   3HG2  THR 188          3HG2      THR 188  -2.251 -13.622   3.530
  496    H    VAL 189           H        VAL 189  -1.040 -11.781   5.449
  497    HA   VAL 189           HA       VAL 189  -1.841 -14.103   6.895
  498    HB   VAL 189           HB       VAL 189   0.704 -12.422   6.976
  499   1HG1  VAL 189          1HG1      VAL 189   0.153 -15.199   8.119
  500   2HG1  VAL 189          2HG1      VAL 189   1.765 -14.465   7.947
  501   3HG1  VAL 189          3HG1      VAL 189   0.582 -13.732   9.038
  502   1HG2  VAL 189          1HG2      VAL 189  -0.056 -15.011   5.534
  503   2HG2  VAL 189          2HG2      VAL 189   0.256 -13.459   4.769
  504   3HG2  VAL 189          3HG2      VAL 189   1.577 -14.313   5.573
  505    H    THR 190           H        THR 190  -1.537 -10.683   7.923
  506    HA   THR 190           HA       THR 190  -1.641 -11.203  10.742
  507    HB   THR 190           HB       THR 190  -2.417  -8.677   9.223
  508    HG1  THR 190           HG1      THR 190  -0.348  -8.158   9.128
  509   1HG2  THR 190          1HG2      THR 190  -2.801  -8.664  11.743
  510   2HG2  THR 190          2HG2      THR 190  -1.076  -9.004  11.953
  511   3HG2  THR 190          3HG2      THR 190  -1.610  -7.484  11.187
  512    H    THR 191           H        THR 191  -3.962 -11.151   8.176
  513    HA   THR 191           HA       THR 191  -6.184 -10.979  10.158
  514    HB   THR 191           HB       THR 191  -5.933  -9.475   8.035
  515    HG1  THR 191           HG1      THR 191  -8.463  -9.568   8.306
  516   1HG2  THR 191          1HG2      THR 191  -7.548 -11.764   6.904
  517   2HG2  THR 191          2HG2      THR 191  -7.586 -10.105   6.309
  518   3HG2  THR 191          3HG2      THR 191  -6.082 -11.031   6.257
  519    H    THR 192           H        THR 192  -4.778 -13.330   7.862
  520    HA   THR 192           HA       THR 192  -6.742 -15.311   8.329
  521    HB   THR 192           HB       THR 192  -4.384 -15.150   6.943
  522    HG1  THR 192           HG1      THR 192  -4.866 -17.209   6.310
  523   1HG2  THR 192          1HG2      THR 192  -3.001 -15.781   8.928
  524   2HG2  THR 192          2HG2      THR 192  -3.881 -17.318   9.016
  525   3HG2  THR 192          3HG2      THR 192  -2.887 -16.927   7.598
  526    H    THR 193           H        THR 193  -4.242 -14.016  10.415
  527    HA   THR 193           HA       THR 193  -4.448 -15.821  12.594
  528    HB   THR 193           HB       THR 193  -3.170 -13.292  11.873
  529    HG1  THR 193           HG1      THR 193  -1.932 -15.018  12.173
  530   1HG2  THR 193          1HG2      THR 193  -3.964 -13.507  14.790
  531   2HG2  THR 193          2HG2      THR 193  -2.689 -12.474  14.138
  532   3HG2  THR 193          3HG2      THR 193  -4.364 -12.207  13.644
  533    H    LYS 194           H        LYS 194  -6.863 -13.518  11.504
  534    HA   LYS 194           HA       LYS 194  -8.328 -13.960  14.069
  535   1HB   LYS 194          1HB       LYS 194  -7.790 -11.564  13.611
  536   2HB   LYS 194          2HB       LYS 194  -9.472 -11.978  13.889
  537   1HG   LYS 194          1HG       LYS 194  -8.275 -11.477  11.142
  538   2HG   LYS 194          2HG       LYS 194  -9.954 -11.871  11.476
  539   1HD   LYS 194          1HD       LYS 194  -9.988  -9.783  12.965
  540   2HD   LYS 194          2HD       LYS 194  -9.959  -9.576  11.198
  541   1HE   LYS 194          1HE       LYS 194  -7.474  -9.494  12.985
  542   2HE   LYS 194          2HE       LYS 194  -7.527  -9.260  11.227
  543   1HZ   LYS 194          1HZ       LYS 194  -8.939  -7.314  11.635
  544   2HZ   LYS 194          2HZ       LYS 194  -8.650  -7.498  13.288
  545   3HZ   LYS 194          3HZ       LYS 194  -7.428  -7.187  12.249
  546    H    GLY 195           H        GLY 195  -7.982 -15.507  11.387
  547   1HA   GLY 195          1HA       GLY 195  -9.322 -17.121  10.448
  548   2HA   GLY 195          2HA       GLY 195 -10.709 -16.491  11.348
  549    H    GLU 196           H        GLU 196  -8.935 -14.104   9.472
  550    HA   GLU 196           HA       GLU 196 -11.342 -13.828   7.776
  551   1HB   GLU 196          1HB       GLU 196 -10.681 -12.001   9.240
  552   2HB   GLU 196          2HB       GLU 196  -9.082 -11.908   8.502
  553   1HG   GLU 196          1HG       GLU 196  -9.971 -11.110   6.424
  554   2HG   GLU 196          2HG       GLU 196 -11.623 -11.582   6.870
  555    H    ASN 197           H        ASN 197 -11.238 -13.918   5.611
  556    HA   ASN 197           HA       ASN 197  -8.649 -14.472   4.242
  557   1HB   ASN 197          1HB       ASN 197  -9.871 -16.581   4.677
  558   2HB   ASN 197          2HB       ASN 197 -11.315 -15.915   3.889
  559   2HD2  ASN 197          2HD2      ASN 197 -11.187 -17.725   2.299
  560   1HD2  ASN 197          1HD2      ASN 197 -10.001 -17.626   1.014
  561    H    PHE 198           H        PHE 198  -8.393 -12.667   2.981
  562    HA   PHE 198           HA       PHE 198 -10.656 -11.099   2.030
  563   1HB   PHE 198          1HB       PHE 198  -7.641 -10.913   1.778
  564   2HB   PHE 198          2HB       PHE 198  -8.643  -9.991   0.684
  565    HD1  PHE 198           HD1      PHE 198 -10.740  -8.739   1.841
  566    HD2  PHE 198           HD2      PHE 198  -6.963  -9.692   3.719
  567    HE1  PHE 198           HE1      PHE 198 -11.083  -6.904   3.440
  568    HE2  PHE 198           HE2      PHE 198  -7.316  -7.804   5.314
  569    HZ   PHE 198           HZ       PHE 198  -9.357  -6.424   5.179
  570    H    THR 199           H        THR 199 -10.573 -10.389  -0.383
  571    HA   THR 199           HA       THR 199 -10.516 -12.791  -2.128
  572    HB   THR 199           HB       THR 199 -12.593 -11.923  -3.117
  573    HG1  THR 199           HG1      THR 199 -12.048  -9.707  -2.030
  574   1HG2  THR 199          1HG2      THR 199 -12.869 -13.553  -1.270
  575   2HG2  THR 199          2HG2      THR 199 -12.940 -12.214  -0.099
  576   3HG2  THR 199          3HG2      THR 199 -14.198 -12.384  -1.320
  577    H    GLU 200           H        GLU 200 -10.162 -12.248  -4.375
  578    HA   GLU 200           HA       GLU 200  -8.303 -10.473  -5.055
  579   1HB   GLU 200          1HB       GLU 200 -10.532 -11.695  -6.675
  580   2HB   GLU 200          2HB       GLU 200  -9.578 -10.427  -7.409
  581   1HG   GLU 200          1HG       GLU 200  -7.555 -12.000  -6.427
  582   2HG   GLU 200          2HG       GLU 200  -8.181 -11.968  -8.080
  583    H    THR 201           H        THR 201 -11.795  -9.476  -5.151
  584    HA   THR 201           HA       THR 201 -11.134  -6.954  -6.409
  585    HB   THR 201           HB       THR 201 -13.627  -7.608  -4.787
  586    HG1  THR 201           HG1      THR 201 -14.423  -7.911  -7.027
  587   1HG2  THR 201          1HG2      THR 201 -13.262  -5.175  -5.314
  588   2HG2  THR 201          2HG2      THR 201 -13.147  -5.587  -7.037
  589   3HG2  THR 201          3HG2      THR 201 -14.662  -5.843  -6.140
  590    H    ASP 202           H        ASP 202 -11.657  -7.910  -2.962
  591    HA   ASP 202           HA       ASP 202 -11.199  -5.353  -1.844
  592   1HB   ASP 202          1HB       ASP 202 -10.750  -8.182  -0.808
  593   2HB   ASP 202          2HB       ASP 202 -10.245  -6.787   0.125
  594    H    VAL 203           H        VAL 203  -8.938  -7.901  -2.914
  595    HA   VAL 203           HA       VAL 203  -6.618  -6.491  -1.810
  596    HB   VAL 203           HB       VAL 203  -7.033  -8.878  -3.692
  597   1HG1  VAL 203          1HG1      VAL 203  -4.342  -7.823  -2.757
  598   2HG1  VAL 203          2HG1      VAL 203  -4.624  -9.420  -3.480
  599   3HG1  VAL 203          3HG1      VAL 203  -4.914  -7.956  -4.427
  600   1HG2  VAL 203          1HG2      VAL 203  -7.554  -9.208  -1.287
  601   2HG2  VAL 203          2HG2      VAL 203  -6.177 -10.187  -1.800
  602   3HG2  VAL 203          3HG2      VAL 203  -5.906  -8.701  -0.863
  603    H    LYS 204           H        LYS 204  -8.094  -6.661  -5.089
  604    HA   LYS 204           HA       LYS 204  -6.109  -4.990  -6.344
  605   1HB   LYS 204          1HB       LYS 204  -9.002  -5.666  -6.961
  606   2HB   LYS 204          2HB       LYS 204  -8.065  -4.559  -7.975
  607   1HG   LYS 204          1HG       LYS 204  -6.719  -6.193  -8.843
  608   2HG   LYS 204          2HG       LYS 204  -6.748  -7.176  -7.376
  609   1HD   LYS 204          1HD       LYS 204  -8.987  -7.979  -7.895
  610   2HD   LYS 204          2HD       LYS 204  -7.856  -8.358  -9.176
  611   1HE   LYS 204          1HE       LYS 204 -10.337  -7.281  -9.531
  612   2HE   LYS 204          2HE       LYS 204  -9.397  -5.786  -9.439
  613   1HZ   LYS 204          1HZ       LYS 204  -8.918  -8.035 -11.292
  614   2HZ   LYS 204          2HZ       LYS 204  -9.620  -6.604 -11.696
  615   3HZ   LYS 204          3HZ       LYS 204  -8.049  -6.619 -11.277
  616    H    MET 205           H        MET 205  -9.090  -4.256  -4.482
  617    HA   MET 205           HA       MET 205  -8.960  -1.420  -4.897
  618   1HB   MET 205          1HB       MET 205 -10.091  -2.938  -2.498
  619   2HB   MET 205          2HB       MET 205 -10.213  -1.208  -2.777
  620   1HG   MET 205          1HG       MET 205 -11.273  -1.990  -5.104
  621   2HG   MET 205          2HG       MET 205 -11.633  -3.431  -4.183
  622   1HE   MET 205          1HE       MET 205 -13.613  -1.202  -5.646
  623   2HE   MET 205          2HE       MET 205 -14.194  -2.770  -5.034
  624   3HE   MET 205          3HE       MET 205 -14.992  -1.264  -4.532
  625    H    MET 206           H        MET 206  -7.543  -3.551  -2.353
  626    HA   MET 206           HA       MET 206  -6.187  -1.482  -0.967
  627   1HB   MET 206          1HB       MET 206  -5.539  -4.448  -1.239
  628   2HB   MET 206          2HB       MET 206  -4.611  -3.316  -0.235
  629   1HG   MET 206          1HG       MET 206  -6.686  -2.720   0.943
  630   2HG   MET 206          2HG       MET 206  -7.539  -3.942   0.076
  631   1HE   MET 206          1HE       MET 206  -6.913  -6.588   0.290
  632   2HE   MET 206          2HE       MET 206  -6.956  -7.094   1.991
  633   3HE   MET 206          3HE       MET 206  -8.185  -5.972   1.368
  634    H    GLU 207           H        GLU 207  -5.036  -3.507  -3.711
  635    HA   GLU 207           HA       GLU 207  -2.385  -2.656  -3.804
  636   1HB   GLU 207          1HB       GLU 207  -4.321  -3.854  -5.708
  637   2HB   GLU 207          2HB       GLU 207  -2.950  -3.038  -6.458
  638   1HG   GLU 207          1HG       GLU 207  -1.850  -4.674  -4.395
  639   2HG   GLU 207          2HG       GLU 207  -3.112  -5.635  -5.132
  640    H    ARG 208           H        ARG 208  -5.125  -1.190  -5.636
  641    HA   ARG 208           HA       ARG 208  -3.706   0.930  -6.843
  642   1HB   ARG 208          1HB       ARG 208  -6.505   0.839  -5.612
  643   2HB   ARG 208          2HB       ARG 208  -5.924   2.203  -6.559
  644   1HG   ARG 208          1HG       ARG 208  -5.978  -0.569  -7.737
  645   2HG   ARG 208          2HG       ARG 208  -7.414   0.453  -7.662
  646   1HD   ARG 208          1HD       ARG 208  -6.101   2.266  -8.846
  647   2HD   ARG 208          2HD       ARG 208  -4.818   1.087  -9.104
  648    HE   ARG 208           HE       ARG 208  -6.390  -0.290 -10.376
  649   1HH1  ARG 208          1HH1      ARG 208  -7.370   3.128  -9.994
  650   2HH1  ARG 208          2HH1      ARG 208  -8.774   2.950 -10.987
  651   1HH2  ARG 208          1HH2      ARG 208  -7.982  -0.389 -11.926
  652   2HH2  ARG 208          2HH2      ARG 208  -9.002   0.963 -12.299
  653    H    VAL 209           H        VAL 209  -4.938   0.720  -3.521
  654    HA   VAL 209           HA       VAL 209  -4.321   3.515  -2.903
  655    HB   VAL 209           HB       VAL 209  -5.615   1.184  -1.551
  656   1HG1  VAL 209          1HG1      VAL 209  -4.277   3.377   0.078
  657   2HG1  VAL 209          2HG1      VAL 209  -5.601   2.352   0.672
  658   3HG1  VAL 209          3HG1      VAL 209  -4.062   1.607   0.246
  659   1HG2  VAL 209          1HG2      VAL 209  -6.836   2.985  -2.625
  660   2HG2  VAL 209          2HG2      VAL 209  -7.172   2.933  -0.893
  661   3HG2  VAL 209          3HG2      VAL 209  -6.073   4.177  -1.510
  662    H    VAL 210           H        VAL 210  -2.942   0.327  -1.966
  663    HA   VAL 210           HA       VAL 210  -0.867   1.391  -0.344
  664    HB   VAL 210           HB       VAL 210  -1.280  -1.260  -1.765
  665   1HG1  VAL 210          1HG1      VAL 210   1.147  -0.848  -1.035
  666   2HG1  VAL 210          2HG1      VAL 210   0.552  -0.848   0.626
  667   3HG1  VAL 210          3HG1      VAL 210   0.346  -2.288  -0.380
  668   1HG2  VAL 210          1HG2      VAL 210  -3.018  -0.714   0.033
  669   2HG2  VAL 210          2HG2      VAL 210  -2.068  -2.133   0.388
  670   3HG2  VAL 210          3HG2      VAL 210  -1.670  -0.598   1.193
  671    H    GLU 211           H        GLU 211  -1.072   0.657  -3.860
  672    HA   GLU 211           HA       GLU 211   1.616   1.232  -4.514
  673   1HB   GLU 211          1HB       GLU 211   0.096   0.094  -6.042
  674   2HB   GLU 211          2HB       GLU 211  -1.019   1.469  -6.062
  675   1HG   GLU 211          1HG       GLU 211   0.567   2.860  -7.223
  676   2HG   GLU 211          2HG       GLU 211   1.818   1.610  -7.121
  677    H    GLN 212           H        GLN 212  -1.285   3.416  -4.464
  678    HA   GLN 212           HA       GLN 212   0.235   5.770  -5.098
  679   1HB   GLN 212          1HB       GLN 212  -2.396   5.327  -3.639
  680   2HB   GLN 212          2HB       GLN 212  -1.692   6.935  -3.775
  681   1HG   GLN 212          1HG       GLN 212  -2.316   5.169  -6.186
  682   2HG   GLN 212          2HG       GLN 212  -3.396   6.394  -5.533
  683   2HE2  GLN 212          2HE2      GLN 212  -0.406   5.939  -7.433
  684   1HE2  GLN 212          1HE2      GLN 212  -0.093   7.639  -7.666
  685    H    MET 213           H        MET 213  -0.369   4.149  -1.984
  686    HA   MET 213           HA       MET 213   0.831   6.208  -0.405
  687   1HB   MET 213          1HB       MET 213   0.567   3.255   0.186
  688   2HB   MET 213          2HB       MET 213   1.057   4.499   1.339
  689   1HG   MET 213          1HG       MET 213  -1.329   5.556   0.666
  690   2HG   MET 213          2HG       MET 213  -1.654   3.898   0.208
  691   1HE   MET 213          1HE       MET 213  -2.163   2.043   1.624
  692   2HE   MET 213          2HE       MET 213  -2.610   2.219   3.341
  693   3HE   MET 213          3HE       MET 213  -3.473   3.154   2.107
  694    H    CYS 214           H        CYS 214   2.398   3.117  -1.820
  695    HA   CYS 214           HA       CYS 214   4.820   3.859  -0.433
  696   1HB   CYS 214          1HB       CYS 214   3.962   1.553  -2.000
  697   2HB   CYS 214          2HB       CYS 214   5.534   2.139  -2.533
  698    H    ILE 215           H        ILE 215   3.472   4.601  -3.640
  699    HA   ILE 215           HA       ILE 215   5.808   5.842  -4.694
  700    HB   ILE 215           HB       ILE 215   2.850   6.342  -5.208
  701   1HG1  ILE 215          1HG1      ILE 215   5.012   5.023  -6.930
  702   2HG1  ILE 215          2HG1      ILE 215   3.933   4.140  -5.900
  703   1HG2  ILE 215          1HG2      ILE 215   5.294   7.608  -6.541
  704   2HG2  ILE 215          2HG2      ILE 215   3.666   7.605  -7.268
  705   3HG2  ILE 215          3HG2      ILE 215   3.944   8.425  -5.746
  706   1HD1  ILE 215          1HD1      ILE 215   1.960   5.041  -7.154
  707   2HD1  ILE 215          2HD1      ILE 215   3.100   5.746  -8.328
  708   3HD1  ILE 215          3HD1      ILE 215   3.040   3.994  -8.095
  709    H    THR 216           H        THR 216   3.185   7.237  -2.546
  710    HA   THR 216           HA       THR 216   4.348   9.799  -2.405
  711    HB   THR 216           HB       THR 216   2.780   8.251  -0.325
  712    HG1  THR 216           HG1      THR 216   2.160   9.744  -2.589
  713   1HG2  THR 216          1HG2      THR 216   3.951  10.123   0.749
  714   2HG2  THR 216          2HG2      THR 216   3.286  11.237  -0.459
  715   3HG2  THR 216          3HG2      THR 216   2.215  10.384   0.679
  716    H    GLN 217           H        GLN 217   5.192   6.895  -0.451
  717    HA   GLN 217           HA       GLN 217   7.098   8.332   1.167
  718   1HB   GLN 217          1HB       GLN 217   6.160   5.578   0.835
  719   2HB   GLN 217          2HB       GLN 217   7.895   5.589   1.028
  720   1HG   GLN 217          1HG       GLN 217   5.939   7.047   2.851
  721   2HG   GLN 217          2HG       GLN 217   6.599   5.454   3.191
  722   2HE2  GLN 217          2HE2      GLN 217   6.823   7.986   4.755
  723   1HE2  GLN 217          1HE2      GLN 217   8.560   8.281   4.887
  724    H    TYR 218           H        TYR 218   7.433   6.512  -1.917
  725    HA   TYR 218           HA       TYR 218  10.195   7.101  -2.273
  726   1HB   TYR 218          1HB       TYR 218   9.820   6.171  -4.484
  727   2HB   TYR 218          2HB       TYR 218   8.089   6.375  -4.318
  728    HD1  TYR 218           HD1      TYR 218   9.696   5.108  -1.227
  729    HD2  TYR 218           HD2      TYR 218   8.034   3.994  -5.064
  730    HE1  TYR 218           HE1      TYR 218   9.270   2.860  -0.399
  731    HE2  TYR 218           HE2      TYR 218   7.760   1.692  -4.229
  732    HH   TYR 218           HH       TYR 218   8.425   0.146  -2.511
  733    H    GLU 219           H        GLU 219   7.768   9.339  -2.200
  734    HA   GLU 219           HA       GLU 219   9.392  11.148  -3.921
  735   1HB   GLU 219          1HB       GLU 219   6.514  11.415  -2.984
  736   2HB   GLU 219          2HB       GLU 219   7.483  12.743  -3.644
  737   1HG   GLU 219          1HG       GLU 219   7.893  11.385  -5.711
  738   2HG   GLU 219          2HG       GLU 219   6.812  10.135  -5.092
  739    H    LYS 220           H        LYS 220   7.534  11.250  -0.790
  740    HA   LYS 220           HA       LYS 220   8.972  13.475   0.018
  741   1HB   LYS 220          1HB       LYS 220   8.087  13.204   2.240
  742   2HB   LYS 220          2HB       LYS 220   6.852  12.916   1.013
  743   1HG   LYS 220          1HG       LYS 220   6.934  10.518   1.418
  744   2HG   LYS 220          2HG       LYS 220   8.368  10.681   2.435
  745   1HD   LYS 220          1HD       LYS 220   6.511  10.346   3.851
  746   2HD   LYS 220          2HD       LYS 220   7.051  12.021   4.058
  747   1HE   LYS 220          1HE       LYS 220   5.187  12.748   2.522
  748   2HE   LYS 220          2HE       LYS 220   4.650  11.066   2.435
  749   1HZ   LYS 220          1HZ       LYS 220   4.302  11.164   4.871
  750   2HZ   LYS 220          2HZ       LYS 220   4.712  12.743   4.872
  751   3HZ   LYS 220          3HZ       LYS 220   3.392  12.276   4.059
  752    H    GLU 221           H        GLU 221  10.126  10.139   0.541
  753    HA   GLU 221           HA       GLU 221  12.397  11.286   2.113
  754   1HB   GLU 221          1HB       GLU 221  11.524   8.435   1.556
  755   2HB   GLU 221          2HB       GLU 221  13.130   8.813   2.165
  756   1HG   GLU 221          1HG       GLU 221  10.557   9.593   3.595
  757   2HG   GLU 221          2HG       GLU 221  11.503   8.149   3.939
  758    H    SER 222           H        SER 222  11.766   9.522  -0.962
  759    HA   SER 222           HA       SER 222  14.480   9.420  -1.731
  760   1HB   SER 222          1HB       SER 222  11.881   8.955  -2.976
  761   2HB   SER 222          2HB       SER 222  13.103   9.517  -4.147
  762    HG   SER 222           HG       SER 222  12.942   7.131  -3.620
  763    H    GLN 223           H        GLN 223  12.134  12.147  -2.137
  764    HA   GLN 223           HA       GLN 223  13.737  13.659  -3.942
  765   1HB   GLN 223          1HB       GLN 223  11.716  14.453  -1.808
  766   2HB   GLN 223          2HB       GLN 223  12.520  15.639  -2.824
  767   1HG   GLN 223          1HG       GLN 223  10.853  13.361  -3.939
  768   2HG   GLN 223          2HG       GLN 223  10.256  14.988  -3.637
  769   2HE2  GLN 223          2HE2      GLN 223  11.493  16.847  -4.870
  770   1HE2  GLN 223          1HE2      GLN 223  11.867  16.400  -6.521
  771    H    ALA 224           H        ALA 224  13.915  13.318  -0.366
  772    HA   ALA 224           HA       ALA 224  16.012  15.332  -0.113
  773   1HB   ALA 224          1HB       ALA 224  14.507  14.848   1.765
  774   2HB   ALA 224          2HB       ALA 224  16.187  14.463   2.189
  775   3HB   ALA 224          3HB       ALA 224  15.058  13.151   1.800
  776    H    TYR 225           H        TYR 225  15.840  11.800  -0.564
  777    HA   TYR 225           HA       TYR 225  18.633  11.215  -0.233
  778   1HB   TYR 225          1HB       TYR 225  16.657   9.620  -0.268
  779   2HB   TYR 225          2HB       TYR 225  16.579   9.849  -2.007
  780    HD1  TYR 225           HD1      TYR 225  18.756   8.560   0.731
  781    HD2  TYR 225           HD2      TYR 225  17.907   8.572  -3.499
  782    HE1  TYR 225           HE1      TYR 225  20.200   6.582   0.454
  783    HE2  TYR 225           HE2      TYR 225  19.357   6.577  -3.793
  784    HH   TYR 225           HH       TYR 225  21.231   5.194  -1.079
  785    H    TYR 226           H        TYR 226  16.726  12.439  -2.970
  786    HA   TYR 226           HA       TYR 226  19.133  12.585  -4.697
  787   1HB   TYR 226          1HB       TYR 226  16.170  12.811  -5.297
  788   2HB   TYR 226          2HB       TYR 226  17.449  13.027  -6.478
  789    HD1  TYR 226           HD1      TYR 226  19.332  11.014  -6.395
  790    HD2  TYR 226           HD2      TYR 226  15.163  10.684  -5.364
  791    HE1  TYR 226           HE1      TYR 226  19.383   8.614  -6.980
  792    HE2  TYR 226           HE2      TYR 226  15.208   8.292  -5.855
  793    HH   TYR 226           HH       TYR 226  18.057   6.746  -7.440
  794    H    GLN 227           H        GLN 227  19.513  14.177  -2.735
  795    HA   GLN 227           HA       GLN 227  19.246  16.870  -3.902
  796   1HB   GLN 227          1HB       GLN 227  17.930  16.006  -1.483
  797   2HB   GLN 227          2HB       GLN 227  19.207  17.112  -1.027
  798   1HG   GLN 227          1HG       GLN 227  17.102  17.597  -3.160
  799   2HG   GLN 227          2HG       GLN 227  17.006  18.205  -1.501
  800   2HE2  GLN 227          2HE2      GLN 227  16.950  19.861  -3.897
  801   1HE2  GLN 227          1HE2      GLN 227  18.280  20.987  -3.550
  802    H    ARG 228           H        ARG 228  21.152  15.886  -4.772
  803    HA   ARG 228           HA       ARG 228  23.554  16.578  -3.349
  804   1HB   ARG 228          1HB       ARG 228  24.418  14.031  -3.857
  805   2HB   ARG 228          2HB       ARG 228  23.944  14.669  -2.298
  806   1HG   ARG 228          1HG       ARG 228  21.779  13.648  -2.395
  807   2HG   ARG 228          2HG       ARG 228  21.997  13.148  -4.075
  808   1HD   ARG 228          1HD       ARG 228  24.003  12.226  -2.003
  809   2HD   ARG 228          2HD       ARG 228  22.385  11.534  -1.974
  810    HE   ARG 228           HE       ARG 228  22.592  10.743  -4.191
  811   1HH1  ARG 228          1HH1      ARG 228  25.615  11.239  -2.452
  812   2HH1  ARG 228          2HH1      ARG 228  26.549  10.234  -3.512
  813   1HH2  ARG 228          1HH2      ARG 228  23.820   9.520  -5.663
  814   2HH2  ARG 228          2HH2      ARG 228  25.545   9.413  -5.478

  No H/Q in entry =         814