*HEADER    DE NOVO PROTEIN                         23-AUG-06   2DX4              
*TITLE     NMR STRUCTURE OF DP5_CONFORMATION2: MONOMERIC BETA-HAIRPIN            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DP5_CONFORMATION2;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED AND            
*SOURCE   4 DOES NOT APPEAR TO OCCUR IN NATURE. THIS SEQUENCE WAS                
*SOURCE   5 DESIGNED BASED ON A STRATEGY.                                        
*KEYWDS    BETA-HAIRPIN                                                          
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.TAMURA, M.ARAKI                                                     
*REVDAT   1   02-JAN-07 2DX4    0                                                

   1    3.760  0.002     HA 1
   2    1.810  0.006     HB 1
   3    1.097  0.004   HG12 1
   4    1.395  0.004   HG13 1
   5    0.843  0.003    QD1 1
   6    0.774  0.004    QG2 1
   7    4.705  0.003     HA 2
   8    2.549  0.005    HB2 2
   9    2.628  0.003    HB3 2
  10    7.054  0.001   HD21 2
  11    7.660  0.003   HD22 2
  12    8.721  0.001     HN 2
  13    4.366  0.003     HA 3
  14    8.507  0.001     HN 3
  15    2.777  0.003     QB 3
  16    6.835  0.008     QD 3
  17    6.630  0.005     QE 3
  18    4.571  0.004     HA 4
  19    3.232  0.009    HB2 4
  20    3.295  0.017    HB3 4
  21    7.236  0.008    HD1 4
  22   10.227  0.000    HE1 4
  23    7.544  0.001    HE3 4
  24    8.125  0.002     HN 4
  25    7.448  0.003    HZ2 4
  26    4.249  0.021     HA 5
  27    1.472  0.016     HG 5
  28    7.819  0.007     HN 5
  29    1.491  0.015     QB 5
  30    0.842  0.004    QD1 5
  31    0.898  0.007    QD2 5
  32    4.145  0.012     HA 6
  33    8.049  0.005     HN 6
  34    1.265  0.003     QB 6
  35    4.563  0.004     HA 7
  36    2.954  0.004    HB2 7
  37    3.206  0.006    HB3 7
  38    7.127  0.006    HD2 7
  39    8.472  0.009    HE1 7
  40    8.211  0.014     HN 7
  41    4.282  0.006     HA 8
  42    8.200  0.003     HN 8
  43    1.362  0.010     QB 8
  44    4.240  0.009     HA 9
  45    1.722  0.004    HB2 9
  46    1.814  0.002    HB3 9
  47    8.419  0.004     HN 9
  48    1.633  0.005     QD 9
  49    2.944  0.006     QE 9
  50    1.427  0.011     QG 9
  51    4.277  0.002     HA 10
  52    8.388  0.012     HN 10
  53    1.369  0.006     QB 10
  54    3.847  0.010    HA1 11
  55    3.931  0.010    HA2 11
  56    8.416  0.003     HN 11
  57    4.572  0.003     HA 12
  58    8.009  0.003     HN 12
  59    2.956  0.005     QB 12
  60    7.050  0.002     QD 12
  61    6.774  0.002     QE 12
  62    4.082  0.009     HA 13
  63    1.706  0.005     HB 13
  64    1.088  0.005   HG12 13
  65    1.397  0.004   HG13 13
  66    8.139  0.003     HN 13
  67    0.799  0.011    QD1 13
  68    0.711  0.004    QG2 13
  69    3.906  0.006     HA 14
  70    1.854  0.005     HB 14
  71    8.230  0.004     HN 14
  72    0.704  0.003    QG1 14
  73    0.859  0.006    QG2 14
  74    4.695  0.003     HA 15
  75    2.998  0.009    HB2 15
  76    3.136  0.008    HB3 15
  77    7.172  0.006    HD2 15
  78    8.534  0.002    HE1 15
  79    8.570  0.011     HN 15
  80    4.689  0.003     HA 16
  81    3.196  0.015    HB2 16
  82    3.248  0.010    HB3 16
  83    7.201  0.005    HD1 16
  84   10.140  0.000    HE1 16
  85    7.547  0.002    HE3 16
  86    8.406  0.006     HN 16
  87    7.451  0.002    HZ2 16
  88    4.217  0.011     HA 17
  89    4.086  0.007     HB 17
  90    8.006  0.006     HN 17
  91    1.120  0.005    QG2 17
  92    3.980  0.008     HA 18
  93    7.969  0.000     HN 18
  94    1.338  0.015     QB 18

# Number of dimensions 2
   1  3.759  8.721  1 U  8.14e+07        0 e 0    1   12 
   2  4.710  8.720  1 U  2.14e+07        0 e 0    7   12 
   3  4.366  8.508  1 U  2.85e+07        0 e 0   13   14 
   4  4.575  8.134  1 U  1.52e+08        0 e 0   57   66 
   5  4.568  8.047  1 U  3.16e+07        0 e 0   18   33 
   6  4.575  8.008  1 U  3.68e+07        0 e 0   57   58 
   7  4.558  8.205  1 U  1.21e+08        0 e 0   35   42 
   8  3.979  7.969  1 U  2.53e+07        0 e 0   92   93 
   9  3.936  8.415  1 U  6.25e+07        0 e 0   55   56 
  10  3.938  8.009  1 U  4.48e+07        0 e 0   55   58 
  11  3.904  8.569  1 U  1.15e+08        0 e 0   69   79 
  12  3.904  8.233  1 U  3.48e+07        0 e 0   69   71 
  13  3.847  8.417  1 U  6.87e+07        0 e 0   54   56 
  14  3.847  8.008  1 U  4.55e+07        0 e 0   54   58 
  15  4.366  8.124  1 U  3.48e+07        0 e 0   13   24 
  16  4.278  8.198  1 U  5.46e+07        0 e 0   41   42 
  17  4.137  8.219  1 U  9.88e+07        0 e 0   32   40 
  18  4.079  8.233  1 U  1.03e+08        0 e 0   62   71 
  19  4.081  8.140  1 U  3.44e+07        0 e 0   62   66 
  20  4.274  8.420  1 U  1.93e+08        0 e 0   51   56 
  21  4.252  8.383  1 U  1.25e+08        0 e 0   44   52 
  22  4.280  8.018  1 U  3.64e+07        0 e 0   51   58 
  23  4.236  8.047  1 U  4.03e+07        0 e 0   26   33 
  24  4.238  7.818  1 U  2.46e+07        0 e 0   26   28 
  25  4.223  8.005  1 U  1.23e+08        0 e 0   88   90 
  26  4.205  7.969  1 U  5.65e+07        0 e 0   88   93 
  27  4.145  8.052  1 U   2.7e+07        0 e 0   32   33 
  28  4.102  8.017  1 U  4.41e+08        0 e 0   89   90 
  29  4.085  7.969  1 U  9.41e+06        0 e 0   89   93 
  30  4.697  8.568  1 U  4.39e+07        0 e 0   74   79 
  31  4.709  8.508  1 U  9.19e+07        0 e 0    7   14 
  32  4.695  8.403  1 U  1.31e+08        0 e 0   74   86 
  33  4.565  8.419  1 U  1.75e+07        0 e 0   35   47 
  34  4.559  8.385  1 U   1.5e+07        0 e 0   35   52 
  35  4.703  8.125  1 U  1.58e+07        0 e 0    7   24 
  36  4.686  8.002  1 U   7.7e+07        0 e 0   80   90 
  37  4.574  7.819  1 U  4.24e+07        0 e 0   18   28 
  38  3.837  8.141  1 U  7.85e+06        0 e 0   54   66 
  39  4.077  8.563  1 U  1.32e+07        0 e 0   62   79 
  40  3.921  8.139  1 U  1.06e+07        0 e 0   55   66 
  41  4.367  7.820  1 U  5.43e+06        0 e 0   13   28 
  42  4.101  8.424  1 U  1.86e+08        0 e 0   62   86 
  43  4.170  8.142  1 U  6.42e+06        0 e 0   32   66 
  44  4.364  8.047  1 U  4.02e+06        0 e 0   13   33 
  45  4.701  7.803  1 U  1.59e+07        0 e 0    7   28 
  46  4.569  8.474  1 U  7.48e+06        0 e 0   35   39 
  47  4.234  7.544  1 U  1.75e+07        0 e 0   88   85 
  48  4.708  7.660  1 U  9.46e+06        0 e 0    7   11 
  49  4.686  7.548  1 U  3.22e+07        0 e 0   80   85 
  50  4.573  7.543  1 U  4.26e+07        0 e 0   18   23 
  51  4.082  7.548  1 U  1.75e+07        0 e 0   89   85 
  52  4.704  6.627  1 U  3.51e+06        0 e 0    7   17 
  53  4.570  6.627  1 U  4.71e+06        0 e 0   18   17 
  54  4.365  6.628  1 U  8.89e+06        0 e 0   13   17 
  55  4.707  6.833  1 U  8.52e+06        0 e 0    7   16 
  56  4.573  6.833  1 U  1.19e+07        0 e 0   18   16 
  57  4.569  6.775  1 U  1.36e+07        0 e 0   57   61 
  58  4.365  6.833  1 U  2.91e+07        0 e 0   13   16 
  59  4.303  6.778  1 U  2.69e+07        0 e 0   26   61 
  60  4.080  6.775  1 U  3.29e+06        0 e 0   62   61 
  61  3.912  6.775  1 U  1.81e+07        0 e 0   69   61 
  62  4.698  7.240  1 U  1.91e+07        0 e 0   74   21 
  63  4.696  7.170  1 U  1.01e+07        0 e 0   80   77 
  64  4.701  7.054  1 U  9.11e+06        0 e 0    7   10 
  65  4.688  7.200  1 U  3.15e+07        0 e 0   80   83 
  66  4.576  7.239  1 U  1.92e+07        0 e 0   18   21 
  67  4.570  7.203  1 U  9.41e+06        0 e 0   18   83 
  68  4.564  7.129  1 U   2.5e+07        0 e 0   35   38 
  69  4.572  7.050  1 U  4.26e+07        0 e 0   57   60 
  70  4.367  7.238  1 U   3.4e+06        0 e 0   13   21 
  71  4.374  7.131  1 U  3.17e+06        0 e 0   13   38 
  72  4.269  7.129  1 U  8.18e+06        0 e 0   26   38 
  73  4.252  7.052  1 U  1.86e+07        0 e 0   26   60 
  74  4.135  7.129  1 U  2.28e+07        0 e 0   32   38 
  75  4.086  7.189  1 U  1.61e+07        0 e 0   89   83 
  76  4.061  7.047  1 U  2.13e+07        0 e 0   62   60 
  77  3.980  7.205  1 U  7.75e+06        0 e 0   92   83 
  78  3.909  7.051  1 U  1.43e+07        0 e 0   55   60 
  79  3.904  7.200  1 U  5.48e+06        0 e 0   69   83 
  80  3.904  7.171  1 U  7.47e+06        0 e 0   69   77 
  81  3.834  7.051  1 U  2.67e+06        0 e 0   54   60 
  82  4.223  7.204  1 U  1.29e+07        0 e 0   88   83 
  83  4.691  7.453  1 U  2.95e+06        0 e 0   80   87 
  84  4.570  7.452  1 U  4.95e+06        0 e 0   18   25 
  85  2.628  8.721  1 U  2.64e+07        0 e 0    9   12 
  86  2.629  8.507  1 U   1.3e+07        0 e 0    9   14 
  87  2.630  8.126  1 U  5.38e+06        0 e 0    9   24 
  88  2.628  7.660  1 U  2.34e+07        0 e 0    9   11 
  89  2.630  7.055  1 U  1.17e+07        0 e 0    9   10 
  90  2.548  8.721  1 U  2.36e+07        0 e 0    8   12 
  91  2.547  8.507  1 U  8.83e+06        0 e 0    8   14 
  92  2.545  8.124  1 U   4.1e+06        0 e 0    8   24 
  93  2.550  7.659  1 U  1.62e+07        0 e 0    8   11 
  94  2.547  7.054  1 U  1.02e+07        0 e 0    8   10 
  95  3.305  8.123  1 U  3.28e+07        0 e 0   20   24 
  96  3.258  8.403  1 U  1.94e+07        0 e 0   82   86 
  97  3.231  8.019  1 U  1.33e+08        0 e 0   82   90 
  98  3.231  8.124  1 U  4.32e+07        0 e 0   19   24 
  99  3.181  8.403  1 U  7.87e+07        0 e 0   81   86 
 100  3.203  8.212  1 U  6.41e+07        0 e 0   37   40 
 101  3.205  8.002  1 U  2.27e+07        0 e 0   81   90 
 102  3.135  8.569  1 U  3.28e+07        0 e 0   76   79 
 103  2.997  8.570  1 U  3.72e+07        0 e 0   75   79 
 104  2.986  8.403  1 U  2.16e+07        0 e 0   75   86 
 105  2.949  8.421  1 U  2.13e+07        0 e 0   59   47 
 106  2.956  8.214  1 U  8.33e+07        0 e 0   36   40 
 107  2.956  8.138  1 U  4.98e+07        0 e 0   59   66 
 108  2.956  8.008  1 U  9.32e+07        0 e 0   59   58 
 109  2.943  8.382  1 U   7.6e+06        0 e 0   59   52 
 110  2.778  8.507  1 U  7.17e+07        0 e 0   15   14 
 111  2.777  8.123  1 U  3.31e+07        0 e 0   15   24 
 112  3.303  7.818  1 U  1.85e+07        0 e 0   20   28 
 113  3.232  7.819  1 U  1.91e+07        0 e 0   19   28 
 114  3.242  7.545  1 U  1.22e+08        0 e 0   19   23 
 115  2.948  7.547  1 U  1.29e+07        0 e 0   36   23 
 116  2.961  7.450  1 U  1.76e+07        0 e 0   36   25 
 117  2.776  7.544  1 U  6.02e+06        0 e 0   15   23 
 118  3.304  7.239  1 U  3.15e+07        0 e 0   20   21 
 119  3.259  7.118  1 U  5.55e+07        0 e 0   20   38 
 120  3.254  7.200  1 U  2.79e+07        0 e 0   82   83 
 121  3.231  7.239  1 U  3.66e+07        0 e 0   19   21 
 122  3.212  7.055  1 U  1.85e+07        0 e 0   19   10 
 123  3.184  7.200  1 U  4.21e+07        0 e 0   81   83 
 124  3.206  7.129  1 U   1.6e+07        0 e 0   37   38 
 125  3.136  7.169  1 U   2.2e+07        0 e 0   76   77 
 126  2.992  7.170  1 U  1.77e+07        0 e 0   75   77 
 127  2.962  7.201  1 U  1.33e+07        0 e 0   59   83 
 128  2.956  7.130  1 U   2.4e+07        0 e 0   36   38 
 129  2.954  7.050  1 U   1.2e+08        0 e 0   59   60 
 130  2.953  6.825  1 U  1.06e+08        0 e 0   36   16 
 131  2.953  6.774  1 U  2.59e+07        0 e 0   59   61 
 132  2.958  6.633  1 U  4.87e+06        0 e 0   36   17 
 133  2.778  7.239  1 U  5.85e+06        0 e 0   15   21 
 134  2.779  7.131  1 U  3.96e+06        0 e 0   15   38 
 135  2.778  6.833  1 U  1.04e+08        0 e 0   15   16 
 136  2.778  6.627  1 U  3.37e+07        0 e 0   15   17 
 137  8.510  8.721  1 U  8.41e+06        0 e 0   14   12 
 138  8.232  8.569  1 U  1.92e+07        0 e 0   71   79 
 139  8.131  8.572  1 U  1.31e+07        0 e 0   24   79 
 140  8.123  8.508  1 U   2.4e+07        0 e 0   24   14 
 141  8.403  8.568  1 U  2.43e+07        0 e 0   86   79 
 142  8.198  8.421  1 U  2.81e+07        0 e 0   42   47 
 143  8.007  8.411  1 U  6.18e+07        0 e 0   58   56 
 144  7.818  8.123  1 U  2.27e+07        0 e 0   28   24 
 145  7.818  8.046  1 U  2.08e+07        0 e 0   28   33 
 146  8.012  8.139  1 U  3.81e+07        0 e 0   58   66 
 147  8.044  8.220  1 U  3.31e+07        0 e 0   33   40 
 148  7.238  8.124  1 U  1.57e+07        0 e 0   21   24 
 149  7.197  8.403  1 U  1.65e+07        0 e 0   83   86 
 150  7.194  8.000  1 U  1.02e+07        0 e 0   83   90 
 151  7.179  8.569  1 U  1.31e+07        0 e 0   77   79 
 152  7.166  8.533  1 U  6.11e+06        0 e 0   77   78 
 153  7.129  8.476  1 U  6.24e+06        0 e 0   38   39 
 154  7.122  8.414  1 U  3.48e+07        0 e 0   38   56 
 155  7.140  8.215  1 U  3.26e+07        0 e 0   38   40 
 156  7.114  8.126  1 U   1.6e+07        0 e 0   38   24 
 157  7.047  8.419  1 U  3.02e+06        0 e 0   60   56 
 158  7.046  8.385  1 U  1.49e+06        0 e 0   60   52 
 159  7.050  8.231  1 U  3.04e+06        0 e 0   60   71 
 160  7.046  8.138  1 U  6.71e+06        0 e 0   60   66 
 161  7.050  8.008  1 U  1.66e+07        0 e 0   60   58 
 162  6.832  8.507  1 U   1.5e+07        0 e 0   16   14 
 163  6.855  8.476  1 U  1.33e+07        0 e 0   16   39 
 164  6.833  8.123  1 U     1e+07        0 e 0   16   24 
 165  6.773  8.009  1 U  6.52e+06        0 e 0   61   58 
 166  6.629  8.507  1 U  5.06e+06        0 e 0   17   14 
 167  6.637  8.475  1 U  8.68e+06        0 e 0   17   39 
 168  6.628  8.124  1 U  3.88e+06        0 e 0   17   24 
 169  6.776  8.416  1 U  7.27e+06        0 e 0   61   47 
 170  7.134  8.006  1 U   1.4e+07        0 e 0   38   58 
 171  7.662  8.720  1 U  3.56e+06        0 e 0   11   12 
 172  7.653  8.505  1 U  3.17e+06        0 e 0   11   14 
 173  7.544  8.404  1 U  7.64e+06        0 e 0   85   86 
 174  7.541  8.123  1 U   9.5e+06        0 e 0   23   24 
 175  7.544  8.046  1 U  2.63e+06        0 e 0   23   33 
 176  7.549  8.002  1 U   7.1e+06        0 e 0   85   90 
 177  7.544  7.816  1 U  7.15e+06        0 e 0   23   28 
 178  7.238  7.816  1 U   8.6e+06        0 e 0   21   28 
 179  7.450 10.227  1 U   1.7e+07        0 e 0   25   22 
 180  7.451 10.140  1 U   1.8e+07        0 e 0   87   84 
 181  7.238 10.227  1 U  4.67e+07        0 e 0   21   22 
 182  7.199 10.140  1 U  4.91e+07        0 e 0   83   84 
 183  8.169  7.543  1 U  4.66e+07        0 e 0   40   23 
 184  8.223  7.450  1 U  6.89e+06        0 e 0   40   25 
 185  8.137  7.447  1 U   6.1e+06        0 e 0   66   25 
 186  8.004  7.447  1 U  8.18e+06        0 e 0   90   87 
 187  7.664  7.239  1 U  3.54e+06        0 e 0   11   21 
 188  8.058  7.239  1 U  5.74e+07        0 e 0   33   21 
 189  8.223  7.204  1 U  4.84e+06        0 e 0   71   83 
 190  8.124  7.204  1 U  5.76e+06        0 e 0   24   83 
 191  8.604  7.206  1 U  2.95e+08        0 e 0   79   83 
 192  8.403  7.191  1 U  9.53e+07        0 e 0   86   77 
 193  8.220  7.170  1 U  4.39e+06        0 e 0   71   77 
 194  8.010  7.170  1 U  6.17e+06        0 e 0   90   77 
 195  7.830  7.132  1 U  1.95e+06        0 e 0   28   38 
 196  7.811  7.056  1 U  7.87e+06        0 e 0   28   10 
 197  8.207  6.844  1 U  2.34e+08        0 e 0   40   16 
 198  8.547  6.771  1 U   5.4e+06        0 e 0   79   61 
 199  8.217  6.778  1 U  7.03e+06        0 e 0   40   61 
 200  8.138  6.774  1 U  7.02e+06        0 e 0   66   61 
 201  8.214  6.626  1 U  4.27e+06        0 e 0   40   17 
 202  6.831  6.627  1 U   3.4e+08        0 e 0   16   17 
 203  6.775  7.052  1 U  2.97e+08        0 e 0   61   60 
 204  7.542  7.239  1 U  1.04e+07        0 e 0   23   21 
 205  7.545  7.206  1 U  4.96e+07        0 e 0   85   83 
 206  7.449  7.237  1 U  1.95e+07        0 e 0   25   21 
 207  7.451  7.206  1 U     2e+08        0 e 0   87   83 
 208  7.659  7.054  1 U  1.93e+08        0 e 0   11   10 
 209  6.837  7.544  1 U  4.25e+06        0 e 0   16   23 
 210  6.630  7.545  1 U   2.2e+06        0 e 0   17   23 
 211  7.441  6.833  1 U  2.07e+06        0 e 0   25   16 
 212  7.445  6.629  1 U  3.36e+06        0 e 0   25   17 
 213  7.448  6.773  1 U  7.32e+06        0 e 0   87   61 
 214  7.216  6.627  1 U   3.1e+07        0 e 0   83   17 
 215  7.124  6.627  1 U  2.03e+06        0 e 0   38   17 
 216  6.855  7.237  1 U  1.37e+07        0 e 0   16   21 
 217  6.646  7.128  1 U  8.79e+06        0 e 0   17   38 
 218  7.228  6.833  1 U  5.81e+06        0 e 0   21   16 
 219  7.127  6.832  1 U   1.5e+07        0 e 0   38   16 
 220  7.130  6.771  1 U  5.92e+06        0 e 0   38   61 
 221  8.146  8.227  1 U  6.99e+07        0 e 0   66   71 
 222  1.813  8.721  1 U  1.24e+07        0 e 0    2   12 
 223  1.391  8.722  1 U  7.34e+06        0 e 0    4   12 
 224  1.096  8.721  1 U   5.7e+06        0 e 0    3   12 
 225  0.844  8.721  1 U  1.16e+07        0 e 0    5   12 
 226  0.769  8.719  1 U  7.24e+06        0 e 0    6   12 
 227  0.862  8.569  1 U   1.5e+07        0 e 0   73   79 
 228  0.853  8.413  1 U  4.64e+07        0 e 0   73   86 
 229  0.862  8.232  1 U  3.14e+07        0 e 0   73   71 
 230  0.840  8.131  1 U  3.23e+07        0 e 0   30   24 
 231  0.838  8.047  1 U  3.63e+07        0 e 0   30   33 
 232  0.859  8.007  1 U  7.79e+06        0 e 0   73   58 
 233  0.812  8.537  1 U  1.12e+08        0 e 0   67   78 
 234  0.826  8.233  1 U  1.11e+08        0 e 0   67   71 
 235  0.792  8.140  1 U  4.74e+06        0 e 0   67   66 
 236  0.796  8.008  1 U  4.27e+06        0 e 0   67   58 
 237  0.707  8.533  1 U   5.5e+06        0 e 0   68   78 
 238  0.708  8.233  1 U  4.02e+07        0 e 0   72   71 
 239  0.709  8.201  1 U  1.44e+06        0 e 0   68   42 
 240  0.703  8.569  1 U  2.79e+07        0 e 0   72   79 
 241  0.707  8.405  1 U  1.93e+07        0 e 0   72   86 
 242  1.855  8.569  1 U  2.15e+07        0 e 0   70   79 
 243  1.382  8.452  1 U  1.75e+08        0 e 0   43   39 
 244  1.266  8.508  1 U  6.61e+06        0 e 0   34   14 
 245  1.268  8.476  1 U   4.8e+06        0 e 0   34   39 
 246  1.813  8.422  1 U  3.33e+07        0 e 0   46   47 
 247  1.814  8.384  1 U  2.09e+07        0 e 0   46   52 
 248  1.724  8.421  1 U  4.35e+07        0 e 0   45   47 
 249  1.723  8.384  1 U  1.73e+07        0 e 0   45   52 
 250  1.632  8.421  1 U  1.15e+07        0 e 0   48   47 
 251  1.632  8.383  1 U  7.84e+06        0 e 0   48   52 
 252  1.435  8.421  1 U  2.05e+07        0 e 0   50   52 
 253  1.367  8.420  1 U  9.09e+07        0 e 0   43   47 
 254  1.374  8.383  1 U  9.67e+07        0 e 0   53   52 
 255  1.267  8.409  1 U   1.3e+07        0 e 0   34   47 
 256  1.855  8.233  1 U  4.15e+07        0 e 0   70   71 
 257  1.704  8.233  1 U  2.32e+07        0 e 0   63   71 
 258  1.710  8.198  1 U  8.16e+06        0 e 0   63   42 
 259  1.703  8.138  1 U  5.02e+07        0 e 0   63   66 
 260  1.710  8.010  1 U  8.07e+06        0 e 0   63   58 
 261  1.496  8.122  1 U   1.2e+07        0 e 0   29   24 
 262  1.494  8.047  1 U  3.69e+07        0 e 0   29   33 
 263  1.392  8.137  1 U  4.39e+07        0 e 0   65   66 
 264  1.359  8.200  1 U  9.83e+07        0 e 0   43   42 
 265  1.373  8.009  1 U  2.98e+07        0 e 0   53   58 
 266  1.344  8.063  1 U   3.1e+07        0 e 0   43   33 
 267  1.329  7.969  1 U  4.69e+07        0 e 0   94   93 
 268  1.266  8.216  1 U  4.77e+07        0 e 0   34   40 
 269  1.267  8.125  1 U  1.75e+07        0 e 0   34   24 
 270  1.265  8.047  1 U  6.47e+07        0 e 0   34   33 
 271  1.116  8.002  1 U  1.73e+07        0 e 0   91   90 
 272  1.120  7.969  1 U  1.38e+07        0 e 0   91   93 
 273  1.085  8.232  1 U  9.67e+06        0 e 0   64   71 
 274  1.088  8.138  1 U  2.32e+07        0 e 0   64   66 
 275  0.710  8.139  1 U  2.44e+07        0 e 0   68   66 
 276  0.710  8.005  1 U  1.15e+07        0 e 0   68   58 
 277  1.494  7.819  1 U  6.19e+07        0 e 0   29   28 
 278  1.368  7.836  1 U  2.01e+08        0 e 0   43   28 
 279  1.263  7.819  1 U  7.94e+06        0 e 0   34   28 
 280  0.907  7.819  1 U  4.22e+06        0 e 0   31   28 
 281  0.845  7.817  1 U  1.96e+07        0 e 0   30   28 
 282  1.478  7.660  1 U  1.24e+07        0 e 0   29   11 
 283  0.910  7.659  1 U  1.76e+07        0 e 0   31   11 
 284  1.473  7.543  1 U  1.71e+07        0 e 0   29   23 
 285  1.359  7.543  1 U  1.75e+07        0 e 0   43   23 
 286  1.266  7.544  1 U   3.7e+06        0 e 0   34   23 
 287  1.113  7.548  1 U   5.9e+06        0 e 0   91   85 
 288  0.847  7.545  1 U  2.78e+07        0 e 0   73   85 
 289  0.848  7.452  1 U  1.62e+07        0 e 0   73   87 
 290  0.704  7.548  1 U  1.43e+07        0 e 0   72   85 
 291  0.700  7.450  1 U  9.02e+06        0 e 0   72   87 
 292  1.863  7.200  1 U  1.28e+07        0 e 0   70   83 
 293  1.842  7.049  1 U  7.91e+06        0 e 0   70   60 
 294  1.711  7.191  1 U  1.09e+07        0 e 0   63   83 
 295  1.714  7.049  1 U  3.63e+06        0 e 0   63   60 
 296  1.626  7.045  1 U     1e+08        0 e 0   48   60 
 297  1.454  7.129  1 U  1.64e+07        0 e 0   29   38 
 298  1.477  7.054  1 U  1.74e+07        0 e 0   29   60 
 299  1.479  7.240  1 U  9.75e+06        0 e 0   27   21 
 300  1.357  7.123  1 U  2.75e+07        0 e 0   53   38 
 301  1.370  7.051  1 U  2.37e+07        0 e 0   53   60 
 302  1.347  7.204  1 U  4.12e+07        0 e 0   43   21 
 303  1.268  7.239  1 U  3.69e+06        0 e 0   34   21 
 304  1.264  7.170  1 U   4.3e+06        0 e 0   34   77 
 305  1.264  7.130  1 U  1.43e+07        0 e 0   34   38 
 306  1.115  7.203  1 U  8.41e+06        0 e 0   91   83 
 307  0.847  7.239  1 U  1.33e+07        0 e 0   30   21 
 308  0.846  7.204  1 U   2.5e+07        0 e 0   73   83 
 309  0.856  7.170  1 U  1.14e+07        0 e 0   73   77 
 310  0.855  7.126  1 U  1.78e+07        0 e 0   30   38 
 311  0.707  7.171  1 U  1.21e+07        0 e 0   72   77 
 312  0.698  7.112  1 U  7.35e+07        0 e 0   72   38 
 313  0.705  7.201  1 U  1.57e+07        0 e 0   72   83 
 314  0.865  7.053  1 U  1.92e+07        0 e 0   73   60 
 315  0.779  7.051  1 U  1.82e+07        0 e 0    6   10 
 316  0.707  7.049  1 U  6.16e+06        0 e 0   72   60 
 317  0.846  6.833  1 U  1.26e+07        0 e 0    5   16 
 318  0.858  6.775  1 U  1.81e+07        0 e 0   73   61 
 319  0.848  6.630  1 U  1.61e+07        0 e 0    5   17 
 320  0.774  6.831  1 U   5.3e+06        0 e 0    6   16 
 321  0.769  6.627  1 U   6.3e+06        0 e 0    6   17 
 322  0.705  6.776  1 U  9.15e+06        0 e 0   72   61 
 323  1.852  6.772  1 U  9.87e+06        0 e 0   70   61 
 324  1.796  6.641  1 U  5.98e+07        0 e 0    2   17 
 325  1.420  6.772  1 U  1.56e+07        0 e 0   50   61 
 326  1.368  6.777  1 U  1.44e+07        0 e 0   53   61 
 327  1.265  6.832  1 U  7.61e+06        0 e 0   34   16 
 328  1.260  6.629  1 U  5.26e+06        0 e 0   34   17 
 329  4.688  2.991  1 U  6.62e+07        0 e 0   74   75 
 330  4.707  2.779  1 U  2.23e+07        0 e 0    7   15 
 331  4.709  2.629  1 U  4.69e+07        0 e 0    7    9 
 332  4.709  2.550  1 U  3.91e+07        0 e 0    7    8 
 333  4.686  3.251  1 U  5.32e+07        0 e 0   80   82 
 334  4.686  3.188  1 U  5.49e+07        0 e 0   80   81 
 335  4.575  3.305  1 U  6.06e+07        0 e 0   18   20 
 336  4.568  2.958  1 U  1.75e+08        0 e 0   57   59 
 337  4.572  2.778  1 U  7.75e+06        0 e 0   18   15 
 338  4.565  3.218  1 U  1.35e+08        0 e 0   35   37 
 339  4.366  2.779  1 U  8.21e+07        0 e 0   13   15 
 340  4.696  3.138  1 U  5.82e+07        0 e 0   74   76 
 341  4.250  2.953  1 U   4.4e+07        0 e 0   44   49 
 342  3.933  2.957  1 U  1.39e+07        0 e 0   55   59 
 343  3.906  3.005  1 U  1.57e+07        0 e 0   69   75 
 344  3.845  2.960  1 U  1.22e+07        0 e 0   54   59 
 345  3.759  2.629  1 U  1.05e+07        0 e 0    1    9 
 346  3.761  2.553  1 U  1.06e+07        0 e 0    1    8 
 347  3.308  2.777  1 U  5.83e+06        0 e 0   20   15 
 348  3.227  2.778  1 U  1.27e+07        0 e 0   19   15 
 349  4.204  3.235  1 U  8.24e+07        0 e 0   88   82 
 350  4.157  3.231  1 U  1.24e+08        0 e 0   32   19 
 351  3.903  3.135  1 U  2.38e+07        0 e 0   69   76 
 352  4.142  2.947  1 U  1.26e+07        0 e 0   32   36 
 353  4.083  2.960  1 U  8.42e+06        0 e 0   62   59 
 354  3.202  2.955  1 U  2.07e+08        0 e 0   37   36 
 355  3.134  3.001  1 U  1.61e+08        0 e 0   76   75 
 356  3.938  3.852  1 U  3.29e+08        0 e 0   55   54 
 357  2.624  2.557  1 U  2.24e+08        0 e 0    9    8 
 358  4.705  3.760  1 U  6.23e+06        0 e 0    7    1 
 359  4.688  3.901  1 U  1.27e+07        0 e 0   80   69 
 360  4.685  4.081  1 U   4.9e+06        0 e 0   80   89 
 361  4.565  4.136  1 U  4.45e+06        0 e 0   35   32 
 362  4.572  4.083  1 U  6.99e+06        0 e 0   57   62 
 363  4.286  3.936  1 U  1.14e+07        0 e 0   41   55 
 364  4.275  3.868  1 U  3.52e+07        0 e 0   51   54 
 365  4.080  3.905  1 U  1.53e+07        0 e 0   62   69 
 366  3.758  1.813  1 U  2.91e+07        0 e 0    1    2 
 367  3.763  1.398  1 U  1.37e+07        0 e 0    1    4 
 368  3.763  1.096  1 U   1.2e+07        0 e 0    1    3 
 369  3.760  0.842  1 U  1.42e+07        0 e 0    1    5 
 370  3.759  0.775  1 U  1.94e+07        0 e 0    1    6 
 371  3.939  1.372  1 U  2.41e+07        0 e 0   55   53 
 372  3.904  1.857  1 U  4.51e+07        0 e 0   69   70 
 373  3.926  0.904  1 U  1.75e+08        0 e 0   69   31 
 374  3.905  0.862  1 U  4.37e+07        0 e 0   69   73 
 375  3.904  0.704  1 U  5.71e+07        0 e 0   69   72 
 376  3.846  1.376  1 U  1.44e+07        0 e 0   54   53 
 377  3.977  1.327  1 U  6.73e+07        0 e 0   92   94 
 378  3.968  0.780  1 U   1.8e+08        0 e 0   92    6 
 379  4.365  1.267  1 U  2.33e+07        0 e 0   13   34 
 380  4.361  0.771  1 U  5.28e+06        0 e 0   13    6 
 381  4.278  1.368  1 U  2.26e+08        0 e 0   51   53 
 382  4.276  0.799  1 U  7.45e+06        0 e 0   41   67 
 383  4.290  0.711  1 U  2.86e+07        0 e 0   41   68 
 384  4.233  1.815  1 U  6.44e+07        0 e 0   44   46 
 385  4.234  1.725  1 U  8.22e+07        0 e 0   44   45 
 386  4.228  1.636  1 U  4.67e+07        0 e 0   44   48 
 387  4.237  1.509  1 U  5.83e+07        0 e 0   26   29 
 388  4.241  1.445  1 U  1.12e+08        0 e 0   44   50 
 389  4.246  1.267  1 U  1.57e+07        0 e 0   26   34 
 390  4.241  0.897  1 U  2.42e+07        0 e 0   26   31 
 391  4.240  0.843  1 U  4.49e+07        0 e 0   26   30 
 392  4.225  1.363  1 U  5.15e+07        0 e 0   88   94 
 393  4.207  1.121  1 U  3.98e+07        0 e 0   88   91 
 394  4.229  0.800  1 U  5.03e+05        0 e 0   26   67 
 395  4.141  1.501  1 U  1.96e+07        0 e 0   32   29 
 396  4.139  1.267  1 U  8.51e+07        0 e 0   32   34 
 397  4.129  0.899  1 U  4.84e+06        0 e 0   32   31 
 398  4.164  0.834  1 U  2.27e+08        0 e 0   32   30 
 399  4.081  1.856  1 U  1.31e+07        0 e 0   62   70 
 400  4.083  1.706  1 U  4.26e+07        0 e 0   62   63 
 401  4.071  1.404  1 U  3.03e+07        0 e 0   62   65 
 402  4.105  1.360  1 U  2.43e+08        0 e 0   62   53 
 403  4.081  1.333  1 U     7e+06        0 e 0   89   94 
 404  4.088  1.121  1 U  5.11e+07        0 e 0   89   91 
 405  4.082  1.100  1 U  4.81e+07        0 e 0   62   64 
 406  4.079  0.862  1 U  1.13e+07        0 e 0   62   73 
 407  4.081  0.799  1 U  2.56e+07        0 e 0   62   67 
 408  4.081  0.714  1 U  5.73e+07        0 e 0   62   68 
 409  3.995  1.121  1 U   2.2e+07        0 e 0   92   91 
 410  4.702  1.265  1 U  4.31e+06        0 e 0    7   34 
 411  4.690  1.120  1 U  9.85e+06        0 e 0   80   91 
 412  4.702  0.898  1 U  3.41e+06        0 e 0    7   31 
 413  4.691  0.863  1 U   1.2e+07        0 e 0   80   73 
 414  4.701  0.840  1 U  5.93e+06        0 e 0    7   30 
 415  4.695  0.801  1 U   6.8e+06        0 e 0   74   67 
 416  4.702  0.775  1 U  6.48e+06        0 e 0    7    6 
 417  4.693  0.706  1 U  2.57e+07        0 e 0   80   72 
 418  4.570  1.709  1 U  1.61e+07        0 e 0   57   63 
 419  4.577  1.506  1 U  1.85e+06        0 e 0   18   29 
 420  4.560  1.450  1 U  7.01e+07        0 e 0   18   27 
 421  4.575  1.430  1 U  1.03e+07        0 e 0   57   50 
 422  4.572  0.897  1 U  6.33e+06        0 e 0   18   31 
 423  4.573  0.863  1 U  9.72e+06        0 e 0   18   73 
 424  4.569  0.840  1 U  8.82e+06        0 e 0   18   30 
 425  4.572  0.798  1 U  1.09e+07        0 e 0   57   67 
 426  4.576  0.713  1 U  1.29e+07        0 e 0   57   68 
 427  4.559  1.369  1 U   4.3e+07        0 e 0   35   43 
 428  4.560  1.266  1 U  1.71e+07        0 e 0   35   34 
 429  2.633  1.504  1 U  6.13e+06        0 e 0    9   29 
 430  2.631  0.898  1 U  4.34e+06        0 e 0    9   31 
 431  2.625  0.841  1 U  4.67e+06        0 e 0    9   30 
 432  2.552  1.504  1 U  5.41e+06        0 e 0    8   29 
 433  2.557  1.487  1 U  6.25e+07        0 e 0    8   27 
 434  2.546  0.896  1 U  1.48e+07        0 e 0    8   31 
 435  2.544  0.841  1 U  3.66e+06        0 e 0    8   30 
 436  2.776  1.267  1 U   1.3e+07        0 e 0   15   34 
 437  2.771  0.842  1 U  9.07e+06        0 e 0   15   30 
 438  2.780  0.775  1 U  5.53e+06        0 e 0   15    6 
 439  2.771  0.702  1 U  3.66e+06        0 e 0   15   72 
 440  2.621  0.775  1 U  3.04e+06        0 e 0    9    6 
 441  2.541  0.769  1 U  3.16e+06        0 e 0    8    6 
 442  3.284  0.845  1 U  3.23e+06        0 e 0   20   30 
 443  3.250  1.499  1 U  1.06e+08        0 e 0   19   29 
 444  3.250  1.121  1 U  6.47e+06        0 e 0   82   91 
 445  3.259  0.699  1 U  4.47e+06        0 e 0   82   68 
 446  3.209  1.366  1 U  2.71e+07        0 e 0   37   43 
 447  3.198  1.267  1 U  2.11e+07        0 e 0   37   34 
 448  3.232  0.897  1 U  8.82e+05        0 e 0   19   31 
 449  3.228  0.843  1 U  2.01e+06        0 e 0   19   30 
 450  3.220  0.717  1 U  1.47e+07        0 e 0   81   68 
 451  3.152  0.704  1 U  1.27e+07        0 e 0   76   68 
 452  3.124  1.121  1 U  1.06e+07        0 e 0   76   91 
 453  3.015  1.132  1 U  1.73e+08        0 e 0   75   91 
 454  2.956  1.370  1 U  2.65e+07        0 e 0   59   53 
 455  2.955  1.267  1 U  1.39e+07        0 e 0   36   34 
 456  2.952  0.895  1 U  8.66e+06        0 e 0   36   31 
 457  2.960  0.863  1 U  1.17e+07        0 e 0   59   73 
 458  2.949  0.842  1 U  1.07e+07        0 e 0   36   30 
 459  2.954  0.799  1 U  1.44e+07        0 e 0   59   67 
 460  2.961  0.710  1 U  1.93e+07        0 e 0   59   68 
 461  2.945  1.817  1 U  2.41e+07        0 e 0   49   46 
 462  2.946  1.716  1 U   3.5e+07        0 e 0   49   45 
 463  2.935  1.633  1 U  7.86e+07        0 e 0   49   48 
 464  2.942  1.415  1 U  8.78e+07        0 e 0   49   50 
 465  1.264  0.841  1 U   7.7e+06        0 e 0   34   30 
 466  1.266  0.774  1 U  1.33e+07        0 e 0   34   67 
 467  1.261  0.711  1 U  4.93e+06        0 e 0   34   68 
 468  1.254  0.896  1 U  2.76e+06        0 e 0   34   31 
 469  1.854  0.861  1 U  6.95e+07        0 e 0   70   73 
 470  1.854  0.699  1 U  6.69e+07        0 e 0   70   72 
 471  1.811  0.842  1 U  2.16e+07        0 e 0    2    5 
 472  1.813  0.772  1 U  4.58e+07        0 e 0    2    6 
 473  1.703  0.864  1 U  7.85e+06        0 e 0   63   73 
 474  1.703  0.799  1 U  4.99e+07        0 e 0   63   67 
 475  1.702  0.714  1 U  8.63e+07        0 e 0   63   68 
 476  1.811  1.401  1 U  1.08e+08        0 e 0    2    4 
 477  1.714  1.401  1 U  1.23e+08        0 e 0   63   65 
 478  1.631  1.416  1 U  1.37e+08        0 e 0   48   50 
 479  1.812  1.102  1 U  2.13e+07        0 e 0    2    3 
 480  1.702  1.087  1 U  3.27e+07        0 e 0   63   64 
 481  1.700  1.259  1 U  4.46e+07        0 e 0   63   34 
 482  1.398  1.087  1 U  2.76e+08        0 e 0   65   64 
 483  0.862  0.701  1 U  1.71e+08        0 e 0   73   72 
 484  1.092  0.838  1 U  5.61e+07        0 e 0    3    5 
 485  1.086  0.793  1 U  1.03e+08        0 e 0   64   67 
 486  1.086  0.715  1 U  5.71e+07        0 e 0   64   68 
 487  1.484  0.897  1 U   1.3e+08        0 e 0   29   31 
 488  1.488  0.842  1 U  1.03e+08        0 e 0   29   30 
 489  1.392  0.843  1 U  1.25e+08        0 e 0    4    5 
 490  1.394  0.796  1 U  1.19e+08        0 e 0   65   67 
 491  1.396  0.714  1 U  6.21e+07        0 e 0   65   68 
 492  1.359  0.896  1 U  1.99e+07        0 e 0   43   31 
 493  1.266  1.812  1 U  1.33e+07        0 e 0   34   46 
 494  1.264  1.644  1 U  1.38e+07        0 e 0   34   48 
 495  7.122  0.876  1 U  3.26e+08        0 e 0   38   31 
 496  3.978  7.453  1 U  3.16e+06        0 e 0   92   87 

  1 ILE  HA      1 ILE  HB      3.36   # peak    366
  1 ILE  HA      1 ILE  QG2     5.38   # peak    370
  1 ILE  HA      1 ILE  HG12    4.91   # peak    368
  1 ILE  HA      1 ILE  HG13    4.76   # peak    367
  1 ILE  HA      1 ILE  QD1     5.75   # peak    369
  1 ILE  HA      2 ASN  HN      2.83   # peak      1
#  1 ILE  HA      2 ASN  HA      4.32   # peak    358
#  1 ILE  HA      2 ASN  HB2     3.95   # peak    346
#  1 ILE  HA      2 ASN  HB3     3.98   # peak    345
  1 ILE  HB      1 ILE  QG2     4.54   # peak    472
  1 ILE  HB      1 ILE  HG12    4.26   # peak    479
  1 ILE  HB      1 ILE  HG13    2.83   # peak    476
  1 ILE  HB      1 ILE  QD1     5.29   # peak    471
  1 ILE  HB      2 ASN  HN      3.86   # peak    222
  1 ILE  HB      3 TYR  QE      6.05   # peak    324
  1 ILE  QG2     2 ASN  HN      6.53   # peak    226
#  1 ILE  QG2     2 ASN  HA      6.53   # peak    416
#  1 ILE  QG2     2 ASN  HB2     6.53   # peak    441
#  1 ILE  QG2     2 ASN  HB3     6.53   # peak    440
#  1 ILE  QG2     2 ASN  HD21    5.47   # peak    315
#  1 ILE  QG2     3 TYR  HA      6.53   # peak    380
  1 ILE  QG2     3 TYR  QB      7.40   # peak    438
  1 ILE  QG2     3 TYR  QD      8.67   # peak    320
  1 ILE  QG2     3 TYR  QE      8.66   # peak    321
  1 ILE  QG2    18 ALA  HA      3.52   # peak    378
  1 ILE  HG12    1 ILE  QD1     4.39   # peak    484
  1 ILE  HG12    2 ASN  HN      5.50   # peak    224
  1 ILE  HG13    1 ILE  QD1     3.77   # peak    489
  1 ILE  HG13    2 ASN  HN      5.50   # peak    223
  1 ILE  QD1     2 ASN  HN      6.00   # peak    225
  1 ILE  QD1     3 TYR  QD      8.67   # peak    317
  1 ILE  QD1     3 TYR  QE      8.60   # peak    319
  2 ASN  HN      2 ASN  HA      3.52   # peak      2
  2 ASN  HN      2 ASN  HB2     3.45   # peak     90
#  2 ASN  HN      2 ASN  HB3     3.39   # peak     85
#  2 ASN  HN      2 ASN  HD22    5.50   # peak    171
#  2 ASN  HN      3 TYR  HN      4.11   # peak    137
  2 ASN  HA      2 ASN  HB2     3.18   # peak    332
  2 ASN  HA      2 ASN  HB3     3.08   # peak    331
  2 ASN  HA      2 ASN  HD21    5.28   # peak     64
  2 ASN  HA      2 ASN  HD22    5.22   # peak     48
  2 ASN  HA      3 TYR  HN      2.77   # peak     31
#  2 ASN  HA      3 TYR  QB      4.80   # peak    330
#  2 ASN  HA      3 TYR  QD      7.64   # peak     55
#  2 ASN  HA      3 TYR  QE      7.63   # peak     52
#  2 ASN  HA      4 TRP  HN      3.70   # peak     35
#  2 ASN  HA      5 LEU  HN      3.70   # peak     45
#  2 ASN  HA      5 LEU  QD1     6.53   # peak    414
#  2 ASN  HA      5 LEU  QD2     6.53   # peak    412
#  2 ASN  HA      6 ALA  QB      6.53   # peak    410
  2 ASN  HB2     2 ASN  HB3     2.40   # peak    357
  2 ASN  HB2     2 ASN  HD21    5.13   # peak     94
  2 ASN  HB2     2 ASN  HD22    4.57   # peak     93
#  2 ASN  HB2     3 TYR  HN      4.07   # peak     91
#  2 ASN  HB2     4 TRP  HN      4.63   # peak     92
#  2 ASN  HB2     5 LEU  QB      6.38   # peak    432
#  2 ASN  HB2     5 LEU  HG      3.27   # peak    433
#  2 ASN  HB2     5 LEU  QD1     6.53   # peak    435
#  2 ASN  HB2     5 LEU  QD2     5.69   # peak    434
  2 ASN  HB3     2 ASN  HD21    4.94   # peak     89
  2 ASN  HB3     2 ASN  HD22    4.17   # peak     88
#  2 ASN  HB3     3 TYR  HN      3.83   # peak     86
#  2 ASN  HB3     4 TRP  HN      4.45   # peak     87
#  2 ASN  HB3     5 LEU  QB      6.38   # peak    429
#  2 ASN  HB3     5 LEU  QD1     6.53   # peak    431
#  2 ASN  HB3     5 LEU  QD2     6.53   # peak    430
  2 ASN  HD21    2 ASN  HD22    2.46   # peak    208
  2 ASN  HD21    4 TRP  HB2     4.41   # peak    122
#  2 ASN  HD21    5 LEU  HN      5.47   # peak    196
  2 ASN  HD22    3 TYR  HN      5.50   # peak    172
  2 ASN  HD22    4 TRP  HD1     5.50   # peak    187
#  2 ASN  HD22    5 LEU  QB      6.38   # peak    282
#  2 ASN  HD22    5 LEU  QD2     5.50   # peak    283
  3 TYR  HN      3 TYR  HA      3.36   # peak      3
  3 TYR  HN      3 TYR  QB      4.11   # peak    110
  3 TYR  HN      3 TYR  QD      7.64   # peak    162
  3 TYR  HN      3 TYR  QE      7.63   # peak    166
#  3 TYR  HN      4 TRP  HN      3.45   # peak    140
#  3 TYR  HN      6 ALA  QB      6.53   # peak    244
  3 TYR  HA      3 TYR  QB      4.05   # peak    339
  3 TYR  HA      3 TYR  QD      6.83   # peak     58
  3 TYR  HA      3 TYR  QE      7.63   # peak     54
  3 TYR  HA      4 TRP  HN      3.24   # peak     15
#  3 TYR  HA      4 TRP  HD1     5.50   # peak     70
#  3 TYR  HA      5 LEU  HN      4.41   # peak     41
#  3 TYR  HA      6 ALA  HN      4.66   # peak     44
#  3 TYR  HA      6 ALA  QB      5.19   # peak    379
#  3 TYR  HA      7 HIS+ HD2     5.50   # peak     71
  3 TYR  QB      3 TYR  QD      7.06   # peak    135
  3 TYR  QB      3 TYR  QE      8.38   # peak    136
  3 TYR  QB      4 TRP  HN      4.55   # peak    111
#  3 TYR  QB      4 TRP  HA      5.57   # peak    337
#  3 TYR  QB      4 TRP  HB2     6.38   # peak    348
#  3 TYR  QB      4 TRP  HB3     6.38   # peak    347
#  3 TYR  QB      4 TRP  HD1     6.38   # peak    133
#  3 TYR  QB      4 TRP  HE3     6.38   # peak    117
  3 TYR  QB      5 LEU  QD1     7.40   # peak    437
#  3 TYR  QB      6 ALA  QB      7.40   # peak    436
#  3 TYR  QB      7 HIS+ HD2     6.38   # peak    134
  3 TYR  QB     14 VAL  QG1     7.40   # peak    439
  3 TYR  QD      3 TYR  QE      7.29   # peak    202
  3 TYR  QD      4 TRP  HN      7.64   # peak    164
#  3 TYR  QD      4 TRP  HA      7.64   # peak     56
#  3 TYR  QD      4 TRP  HD1     7.64   # peak    216
#  3 TYR  QD      4 TRP  HE3     7.64   # peak    209
#  3 TYR  QD      4 TRP  HZ2     7.64   # peak    211
#  3 TYR  QD      6 ALA  QB      8.67   # peak    327
#  3 TYR  QD      7 HIS+ HN      4.94   # peak    197
#  3 TYR  QD      7 HIS+ HB2     5.53   # peak    130
#  3 TYR  QD      7 HIS+ HD2     7.64   # peak    219
#  3 TYR  QD      7 HIS+ HE1     7.64   # peak    163
  3 TYR  QE      4 TRP  HN      7.63   # peak    168
#  3 TYR  QE      4 TRP  HA      7.63   # peak     53
#  3 TYR  QE      4 TRP  HE3     7.63   # peak    210
#  3 TYR  QE      4 TRP  HZ2     7.63   # peak    212
#  3 TYR  QE      6 ALA  QB      8.66   # peak    328
#  3 TYR  QE      7 HIS+ HN      7.63   # peak    201
#  3 TYR  QE      7 HIS+ HB2     7.63   # peak    132
#  3 TYR  QE      7 HIS+ HD2     7.63   # peak    215
#  3 TYR  QE      7 HIS+ HE1     7.63   # peak    167
  3 TYR  QE     16 TRP  HD1     6.73   # peak    214
  4 TRP  HN      4 TRP  HB2     3.14   # peak     98
  4 TRP  HN      4 TRP  HB3     3.30   # peak     95
#  4 TRP  HN      4 TRP  HD1     4.60   # peak    148
  4 TRP  HN      4 TRP  HE3     5.22   # peak    174
#  4 TRP  HN      5 LEU  HN      3.49   # peak    144
#  4 TRP  HN      5 LEU  QB      5.23   # peak    261
#  4 TRP  HN      5 LEU  QD1     4.88   # peak    230
#  4 TRP  HN      6 ALA  QB      5.50   # peak    269
#  4 TRP  HN      7 HIS+ HD2     4.57   # peak    156
#  4 TRP  HN     15 HIS+ HN      3.83   # peak    139
  4 TRP  HN     16 TRP  HD1     5.50   # peak    190
  4 TRP  HA      4 TRP  HB3     2.96   # peak    335
  4 TRP  HA      4 TRP  HD1     4.38   # peak     66
#  4 TRP  HA      4 TRP  HE3     3.58   # peak     50
#  4 TRP  HA      4 TRP  HZ2     5.50   # peak     84
#  4 TRP  HA      5 LEU  HN      3.14   # peak     37
#  4 TRP  HA      5 LEU  QB      6.38   # peak    419
#  4 TRP  HA      5 LEU  HG      3.18   # peak    420
#  4 TRP  HA      5 LEU  QD1     6.34   # peak    424
#  4 TRP  HA      5 LEU  QD2     6.53   # peak    422
#  4 TRP  HA      6 ALA  HN      3.30   # peak      5
  4 TRP  HA     14 VAL  QG2     6.22   # peak    423
  4 TRP  HA     16 TRP  HD1     5.22   # peak     67
  4 TRP  HB2     4 TRP  HD1     3.73   # peak    121
  4 TRP  HB2     4 TRP  HE3     2.77   # peak    114
  4 TRP  HB2     5 LEU  HN      3.58   # peak    113
#  4 TRP  HB2     5 LEU  QB      4.27   # peak    443
#  4 TRP  HB2     5 LEU  QD1     6.53   # peak    449
#  4 TRP  HB2     5 LEU  QD2     6.53   # peak    448
#  4 TRP  HB2     6 ALA  HA      2.65   # peak    350
  4 TRP  HB3     4 TRP  HD1     3.86   # peak    118
  4 TRP  HB3     5 LEU  HN      3.61   # peak    112
#  4 TRP  HB3     5 LEU  QD1     6.53   # peak    442
#  4 TRP  HB3     7 HIS+ HD2     3.36   # peak    119
  4 TRP  HD1     4 TRP  HE3     5.10   # peak    204
  4 TRP  HD1     4 TRP  HE1     3.52   # peak    181
#  4 TRP  HD1     4 TRP  HZ2     4.35   # peak    206
  4 TRP  HD1     5 LEU  HN      5.35   # peak    178
#  4 TRP  HD1     5 LEU  HG      5.19   # peak    299
#  4 TRP  HD1     5 LEU  QD1     5.81   # peak    307
#  4 TRP  HD1     6 ALA  HN      3.33   # peak    188
  4 TRP  HD1     6 ALA  QB      6.53   # peak    303
#  4 TRP  HD1     8 ALA  QB      4.64   # peak    302
  4 TRP  HD1    15 HIS+ HA      4.38   # peak     62
  4 TRP  HE3     5 LEU  HN      5.50   # peak    177
#  4 TRP  HE3     5 LEU  QB      6.22   # peak    284
#  4 TRP  HE3     6 ALA  HN      5.50   # peak    175
  4 TRP  HE3     6 ALA  QB      6.53   # peak    286
#  4 TRP  HE3     7 HIS+ HN      3.52   # peak    183
#  4 TRP  HE3     7 HIS+ HB2     4.82   # peak    115
#  4 TRP  HE3     8 ALA  QB      5.50   # peak    285
  4 TRP  HE1     4 TRP  HZ2     4.51   # peak    179
#  4 TRP  HZ2     7 HIS+ HN      5.50   # peak    184
#  4 TRP  HZ2     7 HIS+ HB2     4.48   # peak    116
#  4 TRP  HZ2    13 ILE  HN      5.50   # peak    185
  5 LEU  HN      5 LEU  HA      3.45   # peak     24
  5 LEU  HN      5 LEU  QB      4.21   # peak    277
  5 LEU  HN      5 LEU  QD1     5.38   # peak    281
  5 LEU  HN      5 LEU  QD2     6.53   # peak    280
#  5 LEU  HN      6 ALA  HN      3.55   # peak    145
#  5 LEU  HN      6 ALA  QB      6.50   # peak    279
#  5 LEU  HN      7 HIS+ HD2     5.50   # peak    195
#  5 LEU  HN      8 ALA  QB      3.46   # peak    278
  5 LEU  HA      5 LEU  QB      4.24   # peak    387
  5 LEU  HA      5 LEU  QD1     4.57   # peak    391
  5 LEU  HA      5 LEU  QD2     5.16   # peak    390
  5 LEU  HA      6 ALA  HN      3.18   # peak     23
#  5 LEU  HA      6 ALA  QB      5.63   # peak    389
#  5 LEU  HA      7 HIS+ HD2     5.41   # peak     72
  5 LEU  HA     12 TYR  QD      7.39   # peak     73
  5 LEU  HA     12 TYR  QE      6.92   # peak     59
#  5 LEU  HA     13 ILE  QD1     6.53   # peak    394
  5 LEU  QB      5 LEU  QD1     5.33   # peak    488
  5 LEU  QB      5 LEU  QD2     5.14   # peak    487
  5 LEU  QB      6 ALA  HN      4.49   # peak    262
#  5 LEU  QB      6 ALA  HA      4.89   # peak    395
  5 LEU  QB      7 HIS+ HD2     6.28   # peak    297
  5 LEU  QB     12 TYR  QD      8.52   # peak    298
  5 LEU  QD1     6 ALA  HN      4.76   # peak    231
#  5 LEU  QD1     6 ALA  HA      3.43   # peak    398
#  5 LEU  QD1     6 ALA  QB      7.56   # peak    465
  5 LEU  QD1     7 HIS+ HB2     6.09   # peak    458
  5 LEU  QD1     7 HIS+ HD2     5.47   # peak    310
#  5 LEU  QD2     6 ALA  HA      6.53   # peak    397
#  5 LEU  QD2     6 ALA  QB      7.56   # peak    468
  5 LEU  QD2     7 HIS+ HB2     6.37   # peak    456
  5 LEU  QD2     7 HIS+ HD2     3.43   # peak    495
#  5 LEU  QD2     8 ALA  QB      7.56   # peak    492
#  5 LEU  QD2    14 VAL  HA      3.55   # peak    373
  6 ALA  HN      6 ALA  HA      3.39   # peak     27
  6 ALA  HN      6 ALA  QB      4.26   # peak    270
#  6 ALA  HN      7 HIS+ HN      3.27   # peak    147
#  6 ALA  HN      8 ALA  QB      4.92   # peak    266
  6 ALA  HA      6 ALA  QB      4.05   # peak    396
  6 ALA  HA      7 HIS+ HN      2.74   # peak     17
#  6 ALA  HA      7 HIS+ HA      4.57   # peak    361
#  6 ALA  HA      7 HIS+ HB2     3.86   # peak    352
#  6 ALA  HA      7 HIS+ HD2     4.20   # peak     74
  6 ALA  HA     13 ILE  HN      4.29   # peak     43
  6 ALA  QB      7 HIS+ HN      4.51   # peak    268
#  6 ALA  QB      7 HIS+ HA      5.54   # peak    428
#  6 ALA  QB      7 HIS+ HB2     5.78   # peak    455
#  6 ALA  QB      7 HIS+ HB3     5.29   # peak    447
#  6 ALA  QB      7 HIS+ HD2     5.75   # peak    305
#  6 ALA  QB      7 HIS+ HE1     6.53   # peak    245
#  6 ALA  QB      9 LYS+ HN      5.85   # peak    255
#  6 ALA  QB      9 LYS+ HB3     5.81   # peak    493
#  6 ALA  QB      9 LYS+ QD      7.40   # peak    494
  6 ALA  QB     13 ILE  HB      4.57   # peak    481
  6 ALA  QB     13 ILE  QG2     7.56   # peak    467
  6 ALA  QB     13 ILE  QD1     7.56   # peak    466
  6 ALA  QB     15 HIS+ HD2     6.53   # peak    304
#  7 HIS+ HN      7 HIS+ HB2     2.80   # peak    106
  7 HIS+ HN      7 HIS+ HB3     2.93   # peak    100
  7 HIS+ HN      7 HIS+ HD2     3.83   # peak    155
  7 HIS+ HN     12 TYR  QE      7.63   # peak    199
#  7 HIS+ HA      7 HIS+ HB3     2.59   # peak    338
#  7 HIS+ HA      7 HIS+ HD2     4.11   # peak     68
#  7 HIS+ HA      7 HIS+ HE1     5.50   # peak     46
#  7 HIS+ HA      8 ALA  HN      2.65   # peak      7
#  7 HIS+ HA      8 ALA  QB      4.61   # peak    427
#  7 HIS+ HA      9 LYS+ HN      3.64   # peak     33
#  7 HIS+ HA     10 ALA  HN      3.73   # peak     34
  7 HIS+ HB2     7 HIS+ HB3     2.43   # peak    354
  7 HIS+ HB2     7 HIS+ HD2     4.14   # peak    128
  7 HIS+ HB3     7 HIS+ HD2     4.57   # peak    124
#  7 HIS+ HB3     8 ALA  QB      5.04   # peak    446
  7 HIS+ HD2     7 HIS+ HE1     5.50   # peak    153
#  7 HIS+ HD2    10 ALA  QB      5.04   # peak    300
#  7 HIS+ HD2    11 GLY  HN      3.76   # peak    154
  7 HIS+ HD2    12 TYR  HN      4.72   # peak    170
  7 HIS+ HD2    12 TYR  QE      7.63   # peak    220
#  7 HIS+ HD2    14 VAL  QG1     4.17   # peak    312
  7 HIS+ HE1     8 ALA  QB      3.55   # peak    243
  8 ALA  HN      8 ALA  HA      3.02   # peak     16
  8 ALA  HN      8 ALA  QB      3.95   # peak    264
#  8 ALA  HN      9 LYS+ HN      3.36   # peak    142
  8 ALA  HN     13 ILE  HB      5.41   # peak    258
  8 ALA  HN     13 ILE  QG2     6.53   # peak    239
#  8 ALA  HA     11 GLY  HA2     3.92   # peak    363
  8 ALA  HA     13 ILE  QG2     4.98   # peak    383
#  8 ALA  HA     13 ILE  QD1     6.53   # peak    382
  8 ALA  QB      9 LYS+ HN      3.99   # peak    253
  9 LYS+ HN      9 LYS+ HB2     3.14   # peak    248
#  9 LYS+ HN      9 LYS+ HB3     3.27   # peak    246
  9 LYS+ HN      9 LYS+ QD      6.38   # peak    250
  9 LYS+ HN     12 TYR  QB      4.83   # peak    105
#  9 LYS+ HN     12 TYR  QE      7.63   # peak    169
  9 LYS+ HA      9 LYS+ HB2     2.83   # peak    385
  9 LYS+ HA      9 LYS+ HB3     2.93   # peak    384
  9 LYS+ HA      9 LYS+ QG      4.24   # peak    388
  9 LYS+ HA      9 LYS+ QD      5.04   # peak    386
  9 LYS+ HA      9 LYS+ QE      5.11   # peak    341
  9 LYS+ HA     10 ALA  HN      2.62   # peak     21
  9 LYS+ HB2     9 LYS+ QE      5.35   # peak    462
#  9 LYS+ HB2    10 ALA  HN      3.64   # peak    249
  9 LYS+ HB3     9 LYS+ QE      5.79   # peak    461
#  9 LYS+ HB3    10 ALA  HN      3.55   # peak    247
  9 LYS+ QG      9 LYS+ QD      5.55   # peak    478
  9 LYS+ QG      9 LYS+ QE      5.98   # peak    464
  9 LYS+ QG     10 ALA  HN      6.00   # peak    252
  9 LYS+ QG     12 TYR  HA      6.38   # peak    421
  9 LYS+ QG     12 TYR  QE      8.51   # peak    325
  9 LYS+ QD      9 LYS+ QE      6.11   # peak    463
  9 LYS+ QD     10 ALA  HN      6.38   # peak    251
  9 LYS+ QD     12 TYR  QD      7.12   # peak    296
 10 ALA  HN     10 ALA  QB      3.95   # peak    254
 10 ALA  HN     12 TYR  QB      5.57   # peak    109
 10 ALA  HN     12 TYR  QD      7.64   # peak    158
 10 ALA  HA     10 ALA  QB      3.43   # peak    381
# 10 ALA  HA     11 GLY  HN      2.46   # peak     20
# 10 ALA  HA     11 GLY  HA1     3.24   # peak    364
# 10 ALA  HA     12 TYR  HN      3.24   # peak     22
# 10 ALA  QB     11 GLY  HA1     5.72   # peak    376
# 10 ALA  QB     11 GLY  HA2     5.16   # peak    371
 10 ALA  QB     12 TYR  HN      4.95   # peak    265
 10 ALA  QB     12 TYR  QB      6.69   # peak    454
 10 ALA  QB     12 TYR  QD      8.11   # peak    301
 10 ALA  QB     12 TYR  QE      8.66   # peak    326
# 10 ALA  QB     13 ILE  HA      3.43   # peak    402
 11 GLY  HN     11 GLY  HA1     2.90   # peak     13
 11 GLY  HN     11 GLY  HA2     2.96   # peak      9
 11 GLY  HN     12 TYR  HN      2.96   # peak    143
 11 GLY  HN     12 TYR  QD      7.64   # peak    157
 11 GLY  HA1    11 GLY  HA2     2.40   # peak    356
# 11 GLY  HA1    12 TYR  HN      3.11   # peak     14
 11 GLY  HA1    12 TYR  QB      5.23   # peak    344
 11 GLY  HA1    12 TYR  QD      7.64   # peak     81
 11 GLY  HA1    13 ILE  HN      4.17   # peak     38
# 11 GLY  HA2    12 TYR  HN      3.11   # peak     10
# 11 GLY  HA2    12 TYR  QB      5.14   # peak    342
 11 GLY  HA2    12 TYR  QD      7.64   # peak     78
 11 GLY  HA2    13 ILE  HN      3.95   # peak     40
 12 TYR  HN     12 TYR  HA      3.24   # peak      6
 12 TYR  HN     12 TYR  QB      3.99   # peak    108
 12 TYR  HN     12 TYR  QD      7.55   # peak    161
 12 TYR  HN     12 TYR  QE      7.63   # peak    165
# 12 TYR  HN     13 ILE  HN      3.21   # peak    146
# 12 TYR  HN     13 ILE  HB      4.14   # peak    260
# 12 TYR  HN     13 ILE  QG2     6.00   # peak    276
# 12 TYR  HN     13 ILE  QD1     6.53   # peak    236
# 12 TYR  HN     14 VAL  QG2     6.50   # peak    232
 12 TYR  HA     12 TYR  QB      3.68   # peak    336
 12 TYR  HA     12 TYR  QD      6.40   # peak     69
 12 TYR  HA     12 TYR  QE      7.63   # peak     57
# 12 TYR  HA     13 ILE  HN      2.56   # peak      4
# 12 TYR  HA     13 ILE  HA      4.26   # peak    362
# 12 TYR  HA     13 ILE  HB      3.70   # peak    418
# 12 TYR  HA     13 ILE  QG2     5.85   # peak    426
# 12 TYR  HA     13 ILE  QD1     6.06   # peak    425
 12 TYR  QB     12 TYR  QD      6.93   # peak    129
 12 TYR  QB     12 TYR  QE      8.51   # peak    131
 12 TYR  QB     13 ILE  HN      4.30   # peak    107
# 12 TYR  QB     13 ILE  HA      5.51   # peak    353
# 12 TYR  QB     13 ILE  QG2     7.09   # peak    460
# 12 TYR  QB     13 ILE  QD1     7.40   # peak    459
# 12 TYR  QB     14 VAL  QG2     7.40   # peak    457
# 12 TYR  QB     16 TRP  HD1     6.38   # peak    127
 12 TYR  QD     12 TYR  QE      7.38   # peak    203
 12 TYR  QD     13 ILE  HN      7.64   # peak    160
# 12 TYR  QD     13 ILE  HA      7.21   # peak     76
# 12 TYR  QD     13 ILE  HB      7.64   # peak    295
 12 TYR  QD     14 VAL  HN      7.64   # peak    159
 12 TYR  QD     14 VAL  HB      7.64   # peak    293
 12 TYR  QD     14 VAL  QG1     8.67   # peak    316
 12 TYR  QD     14 VAL  QG2     8.36   # peak    314
 12 TYR  QE     13 ILE  HN      7.63   # peak    200
# 12 TYR  QE     13 ILE  HA      7.63   # peak     60
# 12 TYR  QE     14 VAL  HA      7.42   # peak     61
 12 TYR  QE     14 VAL  HB      7.63   # peak    323
 12 TYR  QE     14 VAL  QG1     8.66   # peak    322
 12 TYR  QE     14 VAL  QG2     8.44   # peak    318
# 12 TYR  QE     15 HIS+ HN      7.63   # peak    198
# 12 TYR  QE     16 TRP  HZ2     7.63   # peak    213
 13 ILE  HN     13 ILE  HA      3.27   # peak     19
# 13 ILE  HN     13 ILE  HB      3.05   # peak    259
 13 ILE  HN     13 ILE  QG2     5.16   # peak    275
# 13 ILE  HN     13 ILE  HG12    4.17   # peak    274
# 13 ILE  HN     13 ILE  HG13    3.55   # peak    263
 13 ILE  HN     13 ILE  QD1     6.53   # peak    235
# 13 ILE  HN     14 VAL  HN      2.90   # peak    221
 13 ILE  HA     13 ILE  HB      3.14   # peak    400
 13 ILE  HA     13 ILE  QG2     4.36   # peak    408
# 13 ILE  HA     13 ILE  HG12    3.49   # peak    405
 13 ILE  HA     13 ILE  HG13    3.92   # peak    401
 13 ILE  HA     13 ILE  QD1     5.10   # peak    407
 13 ILE  HA     14 VAL  HN      2.71   # peak     18
# 13 ILE  HA     14 VAL  HA      3.73   # peak    365
# 13 ILE  HA     14 VAL  HB      3.83   # peak    399
# 13 ILE  HA     14 VAL  QG2     6.03   # peak    406
# 13 ILE  HA     15 HIS+ HN      3.83   # peak     39
# 13 ILE  HA     16 TRP  HN      2.46   # peak     42
 13 ILE  HB     13 ILE  QG2     4.05   # peak    475
 13 ILE  HB     13 ILE  HG12    3.83   # peak    480
# 13 ILE  HB     13 ILE  HG13    2.77   # peak    477
 13 ILE  HB     13 ILE  QD1     4.48   # peak    474
# 13 ILE  HB     14 VAL  HN      3.49   # peak    257
# 13 ILE  HB     14 VAL  QG2     6.50   # peak    473
# 13 ILE  HB     16 TRP  HD1     5.03   # peak    294
 13 ILE  QG2    13 ILE  HG12    4.36   # peak    486
 13 ILE  QG2    13 ILE  HG13    4.30   # peak    491
# 13 ILE  QG2    15 HIS+ HB3     5.88   # peak    451
 13 ILE  QG2    15 HIS+ HE1     6.53   # peak    237
# 13 ILE  QG2    16 TRP  HB2     5.69   # peak    450
# 13 ILE  QG2    16 TRP  HB3     6.53   # peak    445
 13 ILE  HG12   13 ILE  HG13    2.40   # peak    482
 13 ILE  HG12   13 ILE  QD1     3.92   # peak    485
 13 ILE  HG12   14 VAL  HN      5.19   # peak    273
 13 ILE  HG13   13 ILE  QD1     3.80   # peak    490
 13 ILE  QD1    14 VAL  HN      3.86   # peak    234
 13 ILE  QD1    15 HIS+ HA      6.53   # peak    415
 13 ILE  QD1    15 HIS+ HE1     3.86   # peak    233
 14 VAL  HN     14 VAL  HA      3.24   # peak     12
# 14 VAL  HN     14 VAL  HB      3.14   # peak    256
 14 VAL  HN     14 VAL  QG1     4.67   # peak    238
 14 VAL  HN     14 VAL  QG2     4.88   # peak    229
# 14 VAL  HN     15 HIS+ HN      3.58   # peak    138
# 14 VAL  HN     15 HIS+ HD2     5.50   # peak    193
# 14 VAL  HN     16 TRP  HD1     5.50   # peak    189
 14 VAL  HA     14 VAL  HB      3.11   # peak    372
 14 VAL  HA     14 VAL  QG1     4.36   # peak    375
 14 VAL  HA     14 VAL  QG2     4.61   # peak    374
# 14 VAL  HA     15 HIS+ HN      2.68   # peak     11
# 14 VAL  HA     15 HIS+ HB2     3.70   # peak    343
# 14 VAL  HA     15 HIS+ HB3     3.45   # peak    351
# 14 VAL  HA     15 HIS+ HD2     5.50   # peak     80
# 14 VAL  HA     16 TRP  HA      3.86   # peak    359
# 14 VAL  HA     16 TRP  HD1     5.50   # peak     79
 14 VAL  HB     14 VAL  QG1     4.23   # peak    470
 14 VAL  HB     14 VAL  QG2     4.20   # peak    469
 14 VAL  HB     15 HIS+ HN      3.52   # peak    242
 14 VAL  HB     16 TRP  HD1     4.85   # peak    292
 14 VAL  QG1    14 VAL  QG2     5.39   # peak    483
 14 VAL  QG1    15 HIS+ HN      5.01   # peak    240
# 14 VAL  QG1    15 HIS+ HD2     5.94   # peak    311
# 14 VAL  QG1    16 TRP  HN      5.41   # peak    241
# 14 VAL  QG1    16 TRP  HA      5.10   # peak    417
 14 VAL  QG1    16 TRP  HD1     5.63   # peak    313
 14 VAL  QG1    16 TRP  HE3     5.75   # peak    290
 14 VAL  QG1    16 TRP  HZ2     6.31   # peak    291
 14 VAL  QG2    15 HIS+ HN      5.69   # peak    227
# 14 VAL  QG2    15 HIS+ HD2     6.00   # peak    309
# 14 VAL  QG2    16 TRP  HN      4.54   # peak    228
# 14 VAL  QG2    16 TRP  HA      5.94   # peak    413
 14 VAL  QG2    16 TRP  HD1     5.13   # peak    308
 14 VAL  QG2    16 TRP  HE3     5.01   # peak    288
 14 VAL  QG2    16 TRP  HZ2     5.60   # peak    289
 15 HIS+ HN     15 HIS+ HA      3.14   # peak     30
# 15 HIS+ HN     15 HIS+ HB2     3.21   # peak    103
# 15 HIS+ HN     15 HIS+ HB3     3.30   # peak    102
 15 HIS+ HN     15 HIS+ HD2     4.82   # peak    151
# 15 HIS+ HN     16 TRP  HN      3.45   # peak    141
# 15 HIS+ HN     16 TRP  HD1     2.40   # peak    191
 15 HIS+ HA     15 HIS+ HB2     2.93   # peak    329
 15 HIS+ HA     15 HIS+ HB3     2.99   # peak    340
 15 HIS+ HA     16 TRP  HN      2.62   # peak     32
 15 HIS+ HB2    15 HIS+ HB3     2.59   # peak    355
 15 HIS+ HB2    15 HIS+ HD2     4.48   # peak    126
# 15 HIS+ HB2    16 TRP  HN      3.52   # peak    104
# 15 HIS+ HB2    17 THR  QG2     3.55   # peak    453
 15 HIS+ HB3    15 HIS+ HD2     4.23   # peak    125
 15 HIS+ HB3    17 THR  QG2     6.09   # peak    452
 15 HIS+ HD2    15 HIS+ HE1     5.50   # peak    152
# 15 HIS+ HD2    16 TRP  HN      2.93   # peak    192
# 15 HIS+ HD2    16 TRP  HA      5.13   # peak     63
# 15 HIS+ HD2    17 THR  HN      5.50   # peak    194
 16 TRP  HN     16 TRP  HB2     2.83   # peak     99
 16 TRP  HN     16 TRP  HB3     3.58   # peak     96
 16 TRP  HN     16 TRP  HD1     4.54   # peak    149
 16 TRP  HN     16 TRP  HE3     5.50   # peak    173
 16 TRP  HA     16 TRP  HB2     3.02   # peak    334
 16 TRP  HA     16 TRP  HB3     3.02   # peak    333
# 16 TRP  HA     16 TRP  HD1     3.86   # peak     65
 16 TRP  HA     16 TRP  HE3     3.86   # peak     49
# 16 TRP  HA     16 TRP  HZ2     5.50   # peak     83
 16 TRP  HA     17 THR  HN      2.87   # peak     36
# 16 TRP  HA     17 THR  HB      4.51   # peak    360
# 16 TRP  HA     17 THR  QG2     6.19   # peak    411
 16 TRP  HB2    16 TRP  HD1     3.61   # peak    123
# 16 TRP  HB2    17 THR  HN      3.49   # peak    101
 16 TRP  HB3    16 TRP  HD1     3.98   # peak    120
 16 TRP  HB3    17 THR  HN      2.62   # peak     97
# 16 TRP  HB3    17 THR  HA      2.83   # peak    349
# 16 TRP  HB3    17 THR  QG2     6.53   # peak    444
# 16 TRP  HD1    16 TRP  HE3     3.45   # peak    205
 16 TRP  HD1    16 TRP  HE1     3.45   # peak    182
# 16 TRP  HD1    16 TRP  HZ2     2.43   # peak    207
 16 TRP  HD1    17 THR  HN      5.13   # peak    150
# 16 TRP  HD1    17 THR  HA      4.82   # peak     82
# 16 TRP  HD1    17 THR  HB      4.57   # peak     75
# 16 TRP  HD1    17 THR  QG2     6.40   # peak    306
# 16 TRP  HD1    18 ALA  HA      5.50   # peak     77
 16 TRP  HE3    17 THR  HN      5.50   # peak    176
# 16 TRP  HE3    17 THR  HA      4.48   # peak     47
# 16 TRP  HE3    17 THR  HB      4.48   # peak     51
# 16 TRP  HE3    17 THR  QG2     6.53   # peak    287
 16 TRP  HE1    16 TRP  HZ2     4.45   # peak    180
# 16 TRP  HZ2    17 THR  HN      5.41   # peak    186
# 16 TRP  HZ2    18 ALA  HA      5.50   # peak    496
# 17 THR  HN     17 THR  HA      2.65   # peak     25
# 17 THR  HN     17 THR  HB      2.40   # peak     28
 17 THR  HN     17 THR  QG2     5.50   # peak    271
 17 THR  HA     17 THR  QG2     4.67   # peak    393
 17 THR  HA     18 ALA  HN      2.99   # peak     26
# 17 THR  HA     18 ALA  QB      4.45   # peak    392
 17 THR  HB     17 THR  QG2     4.45   # peak    404
 17 THR  HB     18 ALA  HN      4.04   # peak     29
# 17 THR  HB     18 ALA  QB      6.53   # peak    403
 17 THR  QG2    18 ALA  HN      5.78   # peak    272
# 17 THR  QG2    18 ALA  HA      5.26   # peak    409
 18 ALA  HN     18 ALA  HA      3.42   # peak      8
 18 ALA  HN     18 ALA  QB      4.54   # peak    267
 18 ALA  HA     18 ALA  QB      4.23   # peak    377

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          H         ILE   1   2.441  -4.262  10.689
    2    HA   ILE   1           HA       ILE   1   2.955  -3.239   8.429
    3    HB   ILE   1           HB       ILE   1   3.588  -6.132   9.016
    4   1HG1  ILE   1          1HG1      ILE   1   5.728  -4.237   9.451
    5   2HG1  ILE   1          2HG1      ILE   1   4.311  -3.757  10.365
    6   1HG2  ILE   1          1HG2      ILE   1   4.791  -4.208   7.015
    7   2HG2  ILE   1          2HG2      ILE   1   5.598  -5.696   7.566
    8   3HG2  ILE   1          3HG2      ILE   1   4.043  -5.793   6.706
    9   1HD1  ILE   1          1HD1      ILE   1   5.171  -5.261  11.886
   10   2HD1  ILE   1          2HD1      ILE   1   4.260  -6.423  10.892
   11   3HD1  ILE   1          3HD1      ILE   1   6.007  -6.208  10.632
   12    H    ASN   2           H        ASN   2   3.071  -4.047   6.070
   13    HA   ASN   2           HA       ASN   2   2.147  -4.898   4.269
   14   1HB   ASN   2          1HB       ASN   2   1.268  -6.792   5.952
   15   2HB   ASN   2          2HB       ASN   2  -0.276  -5.991   5.735
   16   1HD2  ASN   2          1HD2      ASN   2  -0.533  -5.283   3.268
   17   2HD2  ASN   2          2HD2      ASN   2  -0.363  -6.581   2.134
   18    H    TYR   3           H        TYR   3   1.813  -2.358   4.396
   19    HA   TYR   3           HA       TYR   3  -1.020  -1.672   4.649
   20   1HB   TYR   3          1HB       TYR   3   1.491   0.044   4.167
   21   2HB   TYR   3          2HB       TYR   3  -0.061   0.631   4.732
   22    HD1  TYR   3           1HD      TYR   3   3.142  -0.704   5.695
   23    HD2  TYR   3           2HD      TYR   3  -0.870  -0.089   7.047
   24    HE1  TYR   3           1HE      TYR   3   3.903  -0.985   8.104
   25    HE2  TYR   3           2HE      TYR   3  -0.095  -0.373   9.452
   26    HH   TYR   3           HH       TYR   3   2.578  -1.796  10.327
   27    H    TRP   4           H        TRP   4  -1.320  -2.995   2.552
   28    HA   TRP   4           HA       TRP   4  -0.231  -1.939   0.159
   29   1HB   TRP   4          1HB       TRP   4  -1.891  -4.145   0.979
   30   2HB   TRP   4          2HB       TRP   4  -2.607  -3.347  -0.407
   31    HD1  TRP   4           HD       TRP   4   0.529  -2.594  -1.549
   32    HE1  TRP   4           1HE      TRP   4   1.842  -4.442  -2.899
   33    HE3  TRP   4           3HE      TRP   4  -2.218  -6.526   0.140
   34    HZ2  TRP   4           2HZ      TRP   4   1.590  -7.277  -3.105
   35    HZ3  TRP   4           3HZ      TRP   4  -1.618  -8.801  -0.685
   36    HH2  TRP   4           HH       TRP   4   0.212  -9.210  -2.253
   37    H    LEU   5           H        LEU   5  -3.768  -2.260   0.714
   38    HA   LEU   5           HA       LEU   5  -5.446  -0.846   0.478
   39   1HB   LEU   5          1HB       LEU   5  -4.699   0.481   2.221
   40   2HB   LEU   5          2HB       LEU   5  -3.293   1.046   1.340
   41    HG   LEU   5           HG       LEU   5  -5.182   2.710   1.759
   42   1HD1  LEU   5          1HD1      LEU   5  -3.992   3.836   0.266
   43   2HD1  LEU   5          2HD1      LEU   5  -3.455   2.323  -0.503
   44   3HD1  LEU   5          3HD1      LEU   5  -4.967   3.101  -1.030
   45   1HD2  LEU   5          1HD2      LEU   5  -6.649   0.697   0.315
   46   2HD2  LEU   5          2HD2      LEU   5  -7.238   2.166   1.130
   47   3HD2  LEU   5          3HD2      LEU   5  -6.702   2.243  -0.565
   48    H    ALA   6           H        ALA   6  -3.122  -1.410  -1.668
   49    HA   ALA   6           HA       ALA   6  -2.917   0.500  -3.522
   50   1HB   ALA   6          1HB       ALA   6  -3.416  -1.673  -5.109
   51   2HB   ALA   6          2HB       ALA   6  -1.884  -1.393  -4.247
   52   3HB   ALA   6          3HB       ALA   6  -3.120  -2.461  -3.540
   53    H    HIS   7           H        HIS   7  -4.445   1.986  -4.088
   54    HA   HIS   7           HA       HIS   7  -6.789   0.983  -5.411
   55   1HB   HIS   7          1HB       HIS   7  -8.328   1.413  -3.867
   56   2HB   HIS   7          2HB       HIS   7  -7.020   1.548  -2.710
   57    HD1  HIS   7           1HD      HIS   7  -9.518   3.587  -4.614
   58    HD2  HIS   7           2HD      HIS   7  -6.302   4.222  -1.997
   59    HE1  HIS   7           1HE      HIS   7  -9.675   6.022  -3.867
   60    HE2  HIS   7           2HE      HIS   7  -7.705   6.338  -2.218
   61    H    ALA   8           H        ALA   8  -5.402   4.008  -3.935
   62    HA   ALA   8           HA       ALA   8  -4.671   5.114  -6.385
   63   1HB   ALA   8          1HB       ALA   8  -6.573   6.979  -6.175
   64   2HB   ALA   8          2HB       ALA   8  -6.824   5.495  -7.127
   65   3HB   ALA   8          3HB       ALA   8  -7.487   5.619  -5.479
   66    H    LYS   9           H        LYS   9  -6.455   7.239  -4.222
   67    HA   LYS   9           HA       LYS   9  -5.587   9.018  -3.134
   68   1HB   LYS   9          1HB       LYS   9  -6.162   7.258  -1.474
   69   2HB   LYS   9          2HB       LYS   9  -4.496   6.715  -1.488
   70   1HG   LYS   9          1HG       LYS   9  -4.660   8.201   0.384
   71   2HG   LYS   9          2HG       LYS   9  -3.818   9.111  -0.855
   72   1HD   LYS   9          1HD       LYS   9  -5.513  10.567   0.090
   73   2HD   LYS   9          2HD       LYS   9  -6.025  10.150  -1.533
   74   1HE   LYS   9          1HE       LYS   9  -7.569   8.437  -0.664
   75   2HE   LYS   9          2HE       LYS   9  -6.976   8.675   0.968
   76   1HZ   LYS   9          1HZ       LYS   9  -8.146  10.549   1.181
   77   2HZ   LYS   9          2HZ       LYS   9  -7.909  11.048  -0.355
   78   3HZ   LYS   9          3HZ       LYS   9  -9.062   9.940  -0.025
   79    H    ALA  10           H        ALA  10  -4.082   8.946  -5.343
   80    HA   ALA  10           HA       ALA  10  -2.157   9.724  -6.125
   81   1HB   ALA  10          1HB       ALA  10  -0.890  11.047  -4.767
   82   2HB   ALA  10          2HB       ALA  10  -2.201  10.751  -3.601
   83   3HB   ALA  10          3HB       ALA  10  -0.710   9.782  -3.528
   84    H    GLY  11           H        GLY  11  -2.524   7.174  -6.603
   85   1HA   GLY  11          1HA       GLY  11  -1.613   5.116  -6.815
   86   2HA   GLY  11          2HA       GLY  11  -0.125   6.014  -7.044
   87    H    TYR  12           H        TYR  12  -2.178   5.637  -4.077
   88    HA   TYR  12           HA       TYR  12  -0.049   5.387  -2.338
   89   1HB   TYR  12          1HB       TYR  12  -2.655   5.740  -2.054
   90   2HB   TYR  12          2HB       TYR  12  -2.786   3.996  -2.163
   91    HD1  TYR  12           1HD      TYR  12  -1.449   2.591  -0.440
   92    HD2  TYR  12           2HD      TYR  12  -2.221   6.775   0.013
   93    HE1  TYR  12           1HE      TYR  12  -1.009   2.410   2.058
   94    HE2  TYR  12           2HE      TYR  12  -1.779   6.579   2.509
   95    HH   TYR  12           HH       TYR  12  -1.103   5.298   4.119
   96    H    ILE  13           H        ILE  13  -1.297   3.093  -4.649
   97    HA   ILE  13           HA       ILE  13  -0.869   0.688  -3.416
   98    HB   ILE  13           HB       ILE  13  -1.894   0.611  -5.473
   99   1HG1  ILE  13          1HG1      ILE  13  -0.109  -1.154  -5.120
  100   2HG1  ILE  13          2HG1      ILE  13  -0.668  -0.928  -6.765
  101   1HG2  ILE  13          1HG2      ILE  13   0.217   2.542  -6.334
  102   2HG2  ILE  13          2HG2      ILE  13  -0.542   1.503  -7.564
  103   3HG2  ILE  13          3HG2      ILE  13  -1.547   2.585  -6.569
  104   1HD1  ILE  13          1HD1      ILE  13   1.468  -0.554  -7.408
  105   2HD1  ILE  13          2HD1      ILE  13   1.491   0.910  -6.396
  106   3HD1  ILE  13          3HD1      ILE  13   2.014  -0.650  -5.717
  107    H    VAL  14           H        VAL  14   0.872  -0.487  -2.739
  108    HA   VAL  14           HA       VAL  14   3.509   0.524  -3.538
  109    HB   VAL  14           HB       VAL  14   2.595   1.130  -1.169
  110   1HG1  VAL  14          1HG1      VAL  14   2.392  -0.469   0.401
  111   2HG1  VAL  14          2HG1      VAL  14   2.291  -1.596  -0.973
  112   3HG1  VAL  14          3HG1      VAL  14   3.848  -1.332  -0.151
  113   1HG2  VAL  14          1HG2      VAL  14   5.249  -0.015  -0.738
  114   2HG2  VAL  14          2HG2      VAL  14   5.127   0.857  -2.285
  115   3HG2  VAL  14          3HG2      VAL  14   4.726   1.686  -0.762
  116    H    HIS  15           H        HIS  15   4.796  -1.558  -1.839
  117    HA   HIS  15           HA       HIS  15   3.766  -4.061  -2.665
  118   1HB   HIS  15          1HB       HIS  15   6.050  -2.849  -4.220
  119   2HB   HIS  15          2HB       HIS  15   5.877  -4.586  -4.061
  120    HD1  HIS  15           1HD      HIS  15   5.369  -2.402  -6.595
  121    HD2  HIS  15           2HD      HIS  15   2.660  -4.911  -4.605
  122    HE1  HIS  15           1HE      HIS  15   3.412  -2.753  -8.195
  123    HE2  HIS  15           2HE      HIS  15   1.806  -4.346  -6.938
  124    H    TRP  16           H        TRP  16   4.139  -3.386  -0.154
  125    HA   TRP  16           HA       TRP  16   6.816  -3.686   0.759
  126   1HB   TRP  16          1HB       TRP  16   4.251  -3.964   2.331
  127   2HB   TRP  16          2HB       TRP  16   5.856  -3.650   2.962
  128    HD1  TRP  16           HD       TRP  16   2.864  -1.765   2.478
  129    HE1  TRP  16           1HE      TRP  16   3.195   0.824   2.088
  130    HE3  TRP  16           3HE      TRP  16   7.804  -2.042   1.308
  131    HZ2  TRP  16           2HZ      TRP  16   5.437   2.429   1.351
  132    HZ3  TRP  16           3HZ      TRP  16   8.990   0.083   0.765
  133    HH2  TRP  16           HH       TRP  16   7.886   2.264   0.774
  134    H    THR  17           H        THR  17   6.325  -5.556   2.943
  135    HA   THR  17           HA       THR  17   5.254  -7.973   2.306
  136    HB   THR  17           HB       THR  17   6.501  -8.336   0.336
  137    HG1  THR  17           1HG      THR  17   8.159  -9.842   1.095
  138   1HG2  THR  17          1HG2      THR  17   8.017  -6.504   0.158
  139   2HG2  THR  17          2HG2      THR  17   8.688  -6.790   1.782
  140   3HG2  THR  17          3HG2      THR  17   9.100  -7.888   0.442
  141    H    ALA  18           H        ALA  18   5.309  -9.205   4.102
  142    HA   ALA  18           HA       ALA  18   6.552  -8.213   6.391
  143   1HB   ALA  18          1HB       ALA  18   5.551 -10.039   7.461
  144   2HB   ALA  18          2HB       ALA  18   4.519  -9.828   6.026
  145   3HB   ALA  18          3HB       ALA  18   5.757 -11.106   6.051
  Start of MODEL    2
    1   1H    ILE   1          H         ILE   1   3.007  -3.402  10.764
    2    HA   ILE   1           HA       ILE   1   3.535  -5.767   9.616
    3    HB   ILE   1           HB       ILE   1   0.558  -5.497  10.009
    4   1HG1  ILE   1          1HG1      ILE   1   2.121  -8.002  10.488
    5   2HG1  ILE   1          2HG1      ILE   1   2.265  -6.706  11.658
    6   1HG2  ILE   1          1HG2      ILE   1   0.895  -5.993   7.681
    7   2HG2  ILE   1          2HG2      ILE   1   2.078  -7.264   8.074
    8   3HG2  ILE   1          3HG2      ILE   1   0.366  -7.475   8.512
    9   1HD1  ILE   1          1HD1      ILE   1   0.036  -6.845  12.314
   10   2HD1  ILE   1          2HD1      ILE   1  -0.504  -7.436  10.724
   11   3HD1  ILE   1          3HD1      ILE   1   0.324  -8.539  11.850
   12    H    ASN   2           H        ASN   2   2.964  -5.776   7.192
   13    HA   ASN   2           HA       ASN   2   3.407  -3.145   6.283
   14   1HB   ASN   2          1HB       ASN   2   4.492  -4.819   4.990
   15   2HB   ASN   2          2HB       ASN   2   3.093  -5.875   4.998
   16   1HD2  ASN   2          1HD2      ASN   2   3.324  -6.080   2.744
   17   2HD2  ASN   2          2HD2      ASN   2   2.753  -4.867   1.647
   18    H    TYR   3           H        TYR   3   1.891  -1.723   5.312
   19    HA   TYR   3           HA       TYR   3  -0.877  -2.704   5.235
   20   1HB   TYR   3          1HB       TYR   3  -0.283   0.207   4.991
   21   2HB   TYR   3          2HB       TYR   3  -1.358  -0.588   6.124
   22    HD1  TYR   3           1HD      TYR   3  -0.417  -1.572   8.248
   23    HD2  TYR   3           2HD      TYR   3   1.922   0.875   5.631
   24    HE1  TYR   3           1HE      TYR   3   1.262  -1.168  10.114
   25    HE2  TYR   3           2HE      TYR   3   3.593   1.270   7.506
   26    HH   TYR   3           HH       TYR   3   4.154   0.818   9.537
   27    H    TRP   4           H        TRP   4  -0.403  -3.696   3.081
   28    HA   TRP   4           HA       TRP   4   0.560  -2.509   0.881
   29   1HB   TRP   4          1HB       TRP   4  -0.680  -4.808   1.332
   30   2HB   TRP   4          2HB       TRP   4  -2.031  -3.963   0.602
   31    HD1  TRP   4           HD       TRP   4   0.583  -2.443  -1.277
   32    HE1  TRP   4           1HE      TRP   4   1.227  -3.650  -3.534
   33    HE3  TRP   4           3HE      TRP   4  -1.635  -6.877  -0.150
   34    HZ2  TRP   4           2HZ      TRP   4   0.747  -6.265  -4.571
   35    HZ3  TRP   4           3HZ      TRP   4  -1.502  -8.705  -1.840
   36    HH2  TRP   4           HH       TRP   4  -0.362  -8.453  -3.987
   37    H    LEU   5           H        LEU   5  -3.033  -2.562   1.379
   38    HA   LEU   5           HA       LEU   5  -4.600  -1.068   0.956
   39   1HB   LEU   5          1HB       LEU   5  -3.852   0.248   2.703
   40   2HB   LEU   5          2HB       LEU   5  -2.364   0.687   1.889
   41    HG   LEU   5           HG       LEU   5  -4.135   2.498   2.170
   42   1HD1  LEU   5          1HD1      LEU   5  -3.799   2.981  -0.517
   43   2HD1  LEU   5          2HD1      LEU   5  -2.629   3.369   0.768
   44   3HD1  LEU   5          3HD1      LEU   5  -2.469   1.854  -0.154
   45   1HD2  LEU   5          1HD2      LEU   5  -6.194   2.106   1.449
   46   2HD2  LEU   5          2HD2      LEU   5  -5.574   2.073  -0.219
   47   3HD2  LEU   5          3HD2      LEU   5  -5.690   0.564   0.717
   48    H    ALA   6           H        ALA   6  -2.293  -1.883  -1.087
   49    HA   ALA   6           HA       ALA   6  -1.816  -0.052  -2.966
   50   1HB   ALA   6          1HB       ALA   6  -1.166  -1.884  -4.101
   51   2HB   ALA   6          2HB       ALA   6  -1.857  -2.857  -2.780
   52   3HB   ALA   6          3HB       ALA   6  -2.839  -2.481  -4.216
   53    H    HIS   7           H        HIS   7  -3.252   1.629  -3.335
   54    HA   HIS   7           HA       HIS   7  -5.450   1.012  -5.024
   55   1HB   HIS   7          1HB       HIS   7  -7.059   0.836  -3.503
   56   2HB   HIS   7          2HB       HIS   7  -5.947   1.202  -2.200
   57    HD1  HIS   7           1HD      HIS   7  -8.800   2.580  -4.052
   58    HD2  HIS   7           2HD      HIS   7  -5.679   4.101  -1.699
   59    HE1  HIS   7           1HE      HIS   7  -9.490   4.946  -3.392
   60    HE2  HIS   7           2HE      HIS   7  -7.558   5.809  -1.902
   61    H    ALA   8           H        ALA   8  -6.735   3.269  -5.379
   62    HA   ALA   8           HA       ALA   8  -5.071   4.974  -6.628
   63   1HB   ALA   8          1HB       ALA   8  -6.990   6.705  -5.929
   64   2HB   ALA   8          2HB       ALA   8  -7.299   5.373  -7.068
   65   3HB   ALA   8          3HB       ALA   8  -7.778   5.213  -5.361
   66    H    LYS   9           H        LYS   9  -6.662   6.473  -3.813
   67    HA   LYS   9           HA       LYS   9  -5.800   8.093  -2.508
   68   1HB   LYS   9          1HB       LYS   9  -5.774   6.047  -1.167
   69   2HB   LYS   9          2HB       LYS   9  -4.156   5.668  -1.724
   70   1HG   LYS   9          1HG       LYS   9  -3.391   6.846   0.063
   71   2HG   LYS   9          2HG       LYS   9  -3.883   8.293  -0.795
   72   1HD   LYS   9          1HD       LYS   9  -6.058   6.860   0.683
   73   2HD   LYS   9          2HD       LYS   9  -4.825   7.603   1.683
   74   1HE   LYS   9          1HE       LYS   9  -5.206   9.793   0.630
   75   2HE   LYS   9          2HE       LYS   9  -6.303   9.088  -0.541
   76   1HZ   LYS   9          1HZ       LYS   9  -7.556  10.041   1.200
   77   2HZ   LYS   9          2HZ       LYS   9  -7.701   8.422   1.354
   78   3HZ   LYS   9          3HZ       LYS   9  -6.720   9.253   2.361
   79    H    ALA  10           H        ALA  10  -4.819   8.634  -4.982
   80    HA   ALA  10           HA       ALA  10  -3.236   9.836  -5.963
   81   1HB   ALA  10          1HB       ALA  10  -2.634  10.108  -3.120
   82   2HB   ALA  10          2HB       ALA  10  -1.155  10.182  -4.108
   83   3HB   ALA  10          3HB       ALA  10  -2.497  11.307  -4.428
   84    H    GLY  11           H        GLY  11  -3.278   7.252  -6.641
   85   1HA   GLY  11          1HA       GLY  11  -2.074   5.504  -7.391
   86   2HA   GLY  11          2HA       GLY  11  -0.805   6.680  -7.667
   87    H    TYR  12           H        TYR  12  -2.203   5.735  -4.477
   88    HA   TYR  12           HA       TYR  12   0.342   5.418  -3.326
   89   1HB   TYR  12          1HB       TYR  12  -1.995   5.949  -2.298
   90   2HB   TYR  12          2HB       TYR  12  -2.400   4.260  -2.531
   91    HD1  TYR  12           1HD      TYR  12  -0.918   2.499  -1.350
   92    HD2  TYR  12           2HD      TYR  12  -0.895   6.657  -0.340
   93    HE1  TYR  12           1HE      TYR  12   0.096   1.951   0.916
   94    HE2  TYR  12           2HE      TYR  12   0.119   6.094   1.922
   95    HH   TYR  12           HH       TYR  12  -0.014   3.325   3.316
   96    H    ILE  13           H        ILE  13  -1.395   3.400  -5.475
   97    HA   ILE  13           HA       ILE  13  -1.183   0.880  -4.593
   98    HB   ILE  13           HB       ILE  13  -2.095   1.077  -6.669
   99   1HG1  ILE  13          1HG1      ILE  13  -0.617  -0.089  -8.312
  100   2HG1  ILE  13          2HG1      ILE  13   0.729   0.114  -7.208
  101   1HG2  ILE  13          1HG2      ILE  13  -0.532   2.183  -8.561
  102   2HG2  ILE  13          2HG2      ILE  13  -1.679   3.109  -7.564
  103   3HG2  ILE  13          3HG2      ILE  13   0.048   3.073  -7.134
  104   1HD1  ILE  13          1HD1      ILE  13  -1.643  -1.010  -5.865
  105   2HD1  ILE  13          2HD1      ILE  13  -1.067  -2.023  -7.211
  106   3HD1  ILE  13          3HD1      ILE  13   0.037  -1.598  -5.880
  107    H    VAL  14           H        VAL  14   0.425   0.207  -3.224
  108    HA   VAL  14           HA       VAL  14   3.157   0.436  -4.288
  109    HB   VAL  14           HB       VAL  14   2.407   1.716  -2.144
  110   1HG1  VAL  14          1HG1      VAL  14   2.077   0.592  -0.201
  111   2HG1  VAL  14          2HG1      VAL  14   1.579  -0.718  -1.299
  112   3HG1  VAL  14          3HG1      VAL  14   3.226  -0.699  -0.624
  113   1HG2  VAL  14          1HG2      VAL  14   4.610   1.944  -1.707
  114   2HG2  VAL  14          2HG2      VAL  14   4.858   0.193  -1.507
  115   3HG2  VAL  14          3HG2      VAL  14   4.818   0.906  -3.137
  116    H    HIS  15           H        HIS  15   4.401  -1.372  -2.538
  117    HA   HIS  15           HA       HIS  15   2.927  -3.797  -2.443
  118   1HB   HIS  15          1HB       HIS  15   5.256  -3.870  -4.348
  119   2HB   HIS  15          2HB       HIS  15   3.987  -5.056  -4.111
  120    HD1  HIS  15           1HD      HIS  15   2.057  -4.969  -5.718
  121    HD2  HIS  15           2HD      HIS  15   4.237  -1.386  -5.644
  122    HE1  HIS  15           1HE      HIS  15   1.086  -3.503  -7.568
  123    HE2  HIS  15           2HE      HIS  15   2.429  -1.295  -7.438
  124    H    TRP  16           H        TRP  16   3.869  -2.667  -0.292
  125    HA   TRP  16           HA       TRP  16   6.623  -3.059   0.208
  126   1HB   TRP  16          1HB       TRP  16   4.360  -2.809   2.194
  127   2HB   TRP  16          2HB       TRP  16   6.066  -2.560   2.505
  128    HD1  TRP  16           HD       TRP  16   3.181  -0.488   2.118
  129    HE1  TRP  16           1HE      TRP  16   3.639   1.943   1.200
  130    HE3  TRP  16           3HE      TRP  16   7.832  -1.477   0.314
  131    HZ2  TRP  16           2HZ      TRP  16   5.845   3.153  -0.147
  132    HZ3  TRP  16           3HZ      TRP  16   9.070   0.385  -0.788
  133    HH2  TRP  16           HH       TRP  16   8.149   2.636  -1.033
  134    H    THR  17           H        THR  17   6.427  -4.437   2.783
  135    HA   THR  17           HA       THR  17   5.351  -7.058   2.166
  136    HB   THR  17           HB       THR  17   7.668  -8.073   2.607
  137    HG1  THR  17           1HG      THR  17   8.313  -5.267   2.030
  138   1HG2  THR  17          1HG2      THR  17   8.513  -7.737   0.365
  139   2HG2  THR  17          2HG2      THR  17   6.740  -7.652   0.223
  140   3HG2  THR  17          3HG2      THR  17   7.706  -6.157   0.228
  141    H    ALA  18           H        ALA  18   4.790  -8.220   3.970
  142    HA   ALA  18           HA       ALA  18   4.165  -6.986   6.257
  143   1HB   ALA  18          1HB       ALA  18   4.921  -9.820   5.577
  144   2HB   ALA  18          2HB       ALA  18   4.601  -9.393   7.275
  145   3HB   ALA  18          3HB       ALA  18   3.340  -9.147   6.043
  Start of MODEL    3
    1   1H    ILE   1          H         ILE   1   0.099  -6.497  10.265
    2    HA   ILE   1           HA       ILE   1   1.198  -4.174  10.004
    3    HB   ILE   1           HB       ILE   1   3.512  -6.013   9.404
    4   1HG1  ILE   1          1HG1      ILE   1   2.928  -5.943  11.850
    5   2HG1  ILE   1          2HG1      ILE   1   4.540  -5.388  11.445
    6   1HG2  ILE   1          1HG2      ILE   1   2.944  -3.428   8.535
    7   2HG2  ILE   1          2HG2      ILE   1   4.093  -3.206   9.876
    8   3HG2  ILE   1          3HG2      ILE   1   4.522  -4.251   8.500
    9   1HD1  ILE   1          1HD1      ILE   1   4.052  -3.152  11.913
   10   2HD1  ILE   1          2HD1      ILE   1   2.321  -3.346  11.547
   11   3HD1  ILE   1          3HD1      ILE   1   2.982  -3.970  13.077
   12    H    ASN   2           H        ASN   2   1.120  -3.384   7.847
   13    HA   ASN   2           HA       ASN   2   1.410  -4.784   5.586
   14   1HB   ASN   2          1HB       ASN   2  -0.904  -5.781   6.948
   15   2HB   ASN   2          2HB       ASN   2  -1.517  -4.808   5.626
   16   1HD2  ASN   2          1HD2      ASN   2  -0.819  -5.247   3.476
   17   2HD2  ASN   2          2HD2      ASN   2  -0.315  -6.835   3.001
   18    H    TYR   3           H        TYR   3   0.940  -3.363   3.788
   19    HA   TYR   3           HA       TYR   3  -0.900  -1.181   4.158
   20   1HB   TYR   3          1HB       TYR   3   2.029  -0.593   3.500
   21   2HB   TYR   3          2HB       TYR   3   0.824   0.531   4.098
   22    HD1  TYR   3           1HD      TYR   3   0.062   0.334   6.524
   23    HD2  TYR   3           2HD      TYR   3   3.464  -1.758   4.990
   24    HE1  TYR   3           1HE      TYR   3   0.928  -0.008   8.890
   25    HE2  TYR   3           2HE      TYR   3   4.319  -2.093   7.361
   26    HH   TYR   3           HH       TYR   3   2.553  -0.726  10.123
   27    H    TRP   4           H        TRP   4  -0.330  -3.585   2.365
   28    HA   TRP   4           HA       TRP   4   0.737  -2.850  -0.054
   29   1HB   TRP   4          1HB       TRP   4  -0.867  -4.976   1.007
   30   2HB   TRP   4          2HB       TRP   4  -1.506  -4.508  -0.556
   31    HD1  TRP   4           HD       TRP   4   2.029  -3.789  -0.935
   32    HE1  TRP   4           1HE      TRP   4   3.436  -5.727  -2.042
   33    HE3  TRP   4           3HE      TRP   4  -1.472  -7.417  -0.278
   34    HZ2  TRP   4           2HZ      TRP   4   2.938  -8.498  -2.509
   35    HZ3  TRP   4           3HZ      TRP   4  -0.932  -9.712  -1.088
   36    HH2  TRP   4           HH       TRP   4   1.185 -10.279  -2.171
   37    H    LEU   5           H        LEU   5  -2.793  -2.842   0.858
   38    HA   LEU   5           HA       LEU   5  -4.462  -1.529   0.254
   39   1HB   LEU   5          1HB       LEU   5  -3.054   0.275   1.083
   40   2HB   LEU   5          2HB       LEU   5  -2.280   0.426  -0.483
   41    HG   LEU   5           HG       LEU   5  -5.012   0.705  -1.033
   42   1HD1  LEU   5          1HD1      LEU   5  -5.437   2.737   0.561
   43   2HD1  LEU   5          2HD1      LEU   5  -5.808   1.080   1.095
   44   3HD1  LEU   5          3HD1      LEU   5  -4.311   1.876   1.638
   45   1HD2  LEU   5          1HD2      LEU   5  -4.378   2.682  -1.977
   46   2HD2  LEU   5          2HD2      LEU   5  -3.332   3.136  -0.610
   47   3HD2  LEU   5          3HD2      LEU   5  -2.779   1.922  -1.789
   48    H    ALA   6           H        ALA   6  -2.526  -0.033  -2.320
   49    HA   ALA   6           HA       ALA   6  -2.382  -0.491  -4.515
   50   1HB   ALA   6          1HB       ALA   6  -2.749  -2.975  -3.706
   51   2HB   ALA   6          2HB       ALA   6  -4.391  -2.733  -4.350
   52   3HB   ALA   6          3HB       ALA   6  -2.980  -2.554  -5.420
   53    H    HIS   7           H        HIS   7  -3.909   1.529  -3.472
   54    HA   HIS   7           HA       HIS   7  -6.142   1.531  -5.344
   55   1HB   HIS   7          1HB       HIS   7  -7.572   1.304  -3.643
   56   2HB   HIS   7          2HB       HIS   7  -6.331   1.578  -2.436
   57    HD1  HIS   7           1HD      HIS   7  -9.113   3.263  -4.248
   58    HD2  HIS   7           2HD      HIS   7  -5.961   4.345  -1.700
   59    HE1  HIS   7           1HE      HIS   7  -9.625   5.630  -3.443
   60    HE2  HIS   7           2HE      HIS   7  -7.682   6.219  -1.839
   61    H    ALA   8           H        ALA   8  -7.050   3.967  -5.386
   62    HA   ALA   8           HA       ALA   8  -5.102   5.526  -6.495
   63   1HB   ALA   8          1HB       ALA   8  -6.780   7.417  -5.978
   64   2HB   ALA   8          2HB       ALA   8  -7.377   6.034  -6.926
   65   3HB   ALA   8          3HB       ALA   8  -7.766   6.159  -5.194
   66    H    LYS   9           H        LYS   9  -6.654   7.097  -3.729
   67    HA   LYS   9           HA       LYS   9  -5.721   8.420  -2.193
   68   1HB   LYS   9          1HB       LYS   9  -5.909   6.239  -1.075
   69   2HB   LYS   9          2HB       LYS   9  -4.289   5.815  -1.589
   70   1HG   LYS   9          1HG       LYS   9  -3.632   6.716   0.405
   71   2HG   LYS   9          2HG       LYS   9  -3.818   8.260  -0.403
   72   1HD   LYS   9          1HD       LYS   9  -5.340   8.783   1.203
   73   2HD   LYS   9          2HD       LYS   9  -6.433   7.673   0.401
   74   1HE   LYS   9          1HE       LYS   9  -6.372   6.271   2.182
   75   2HE   LYS   9          2HE       LYS   9  -4.633   6.109   2.032
   76   1HZ   LYS   9          1HZ       LYS   9  -4.286   7.696   3.573
   77   2HZ   LYS   9          2HZ       LYS   9  -5.630   8.553   3.215
   78   3HZ   LYS   9          3HZ       LYS   9  -5.742   7.193   4.113
   79    H    ALA  10           H        ALA  10  -4.606   9.091  -4.582
   80    HA   ALA  10           HA       ALA  10  -2.887  10.199  -5.430
   81   1HB   ALA  10          1HB       ALA  10  -0.964  10.158  -3.278
   82   2HB   ALA  10          2HB       ALA  10  -1.934  11.521  -3.886
   83   3HB   ALA  10          3HB       ALA  10  -2.586  10.464  -2.612
   84    H    GLY  11           H        GLY  11  -3.113   7.505  -6.028
   85   1HA   GLY  11          1HA       GLY  11  -1.956   5.784  -6.891
   86   2HA   GLY  11          2HA       GLY  11  -0.583   6.868  -7.005
   87    H    TYR  12           H        TYR  12  -2.176   6.134  -3.892
   88    HA   TYR  12           HA       TYR  12   0.143   5.538  -2.556
   89   1HB   TYR  12          1HB       TYR  12  -2.330   5.981  -1.798
   90   2HB   TYR  12          2HB       TYR  12  -2.644   4.293  -2.153
   91    HD1  TYR  12           1HD      TYR  12  -1.639   6.598   0.346
   92    HD2  TYR  12           2HD      TYR  12  -1.087   2.552  -0.933
   93    HE1  TYR  12           1HE      TYR  12  -0.867   5.956   2.682
   94    HE2  TYR  12           2HE      TYR  12  -0.317   1.925   1.407
   95    HH   TYR  12           HH       TYR  12   0.217   4.381   3.848
   96    H    ILE  13           H        ILE  13  -1.574   3.597  -4.891
   97    HA   ILE  13           HA       ILE  13  -1.208   1.047  -4.088
   98    HB   ILE  13           HB       ILE  13  -2.325   1.410  -6.087
   99   1HG1  ILE  13          1HG1      ILE  13  -0.806  -0.610  -6.026
  100   2HG1  ILE  13          2HG1      ILE  13  -1.340  -0.096  -7.614
  101   1HG2  ILE  13          1HG2      ILE  13  -1.739   3.440  -6.954
  102   2HG2  ILE  13          2HG2      ILE  13   0.008   3.139  -6.790
  103   3HG2  ILE  13          3HG2      ILE  13  -0.909   2.368  -8.107
  104   1HD1  ILE  13          1HD1      ILE  13   1.369  -0.292  -6.574
  105   2HD1  ILE  13          2HD1      ILE  13   0.831   0.009  -8.244
  106   3HD1  ILE  13          3HD1      ILE  13   1.044   1.371  -7.118
  107    H    VAL  14           H        VAL  14   0.462  -0.263  -3.543
  108    HA   VAL  14           HA       VAL  14   3.081   0.297  -4.644
  109    HB   VAL  14           HB       VAL  14   2.628   1.620  -2.448
  110   1HG1  VAL  14          1HG1      VAL  14   1.883  -0.763  -1.440
  111   2HG1  VAL  14          2HG1      VAL  14   3.612  -0.798  -1.016
  112   3HG1  VAL  14          3HG1      VAL  14   2.582   0.538  -0.446
  113   1HG2  VAL  14          1HG2      VAL  14   4.903   0.667  -3.709
  114   2HG2  VAL  14          2HG2      VAL  14   4.856   1.876  -2.404
  115   3HG2  VAL  14          3HG2      VAL  14   5.132   0.160  -2.019
  116    H    HIS  15           H        HIS  15   4.465  -1.473  -2.825
  117    HA   HIS  15           HA       HIS  15   2.979  -3.921  -2.785
  118   1HB   HIS  15          1HB       HIS  15   5.480  -4.006  -4.442
  119   2HB   HIS  15          2HB       HIS  15   4.147  -5.142  -4.381
  120    HD1  HIS  15           1HD      HIS  15   5.398  -2.196  -6.220
  121    HD2  HIS  15           2HD      HIS  15   1.745  -4.207  -5.770
  122    HE1  HIS  15           1HE      HIS  15   3.904  -1.400  -8.129
  123    HE2  HIS  15           2HE      HIS  15   1.693  -2.711  -7.832
  124    H    TRP  16           H        TRP  16   3.727  -2.744  -0.564
  125    HA   TRP  16           HA       TRP  16   6.449  -3.290   0.138
  126   1HB   TRP  16          1HB       TRP  16   4.107  -2.526   1.890
  127   2HB   TRP  16          2HB       TRP  16   5.800  -2.498   2.341
  128    HD1  TRP  16           HD       TRP  16   3.319  -0.075   1.496
  129    HE1  TRP  16           1HE      TRP  16   4.222   2.150   0.400
  130    HE3  TRP  16           3HE      TRP  16   7.880  -1.930   0.224
  131    HZ2  TRP  16           2HZ      TRP  16   6.686   2.868  -0.847
  132    HZ3  TRP  16           3HZ      TRP  16   9.475  -0.401  -0.929
  133    HH2  TRP  16           HH       TRP  16   8.941   1.923  -1.466
  134    H    THR  17           H        THR  17   5.955  -4.345   2.811
  135    HA   THR  17           HA       THR  17   4.530  -6.829   2.467
  136    HB   THR  17           HB       THR  17   6.711  -8.115   3.036
  137    HG1  THR  17           1HG      THR  17   7.729  -5.603   1.916
  138   1HG2  THR  17          1HG2      THR  17   6.750  -6.615   0.367
  139   2HG2  THR  17          2HG2      THR  17   7.505  -8.188   0.720
  140   3HG2  THR  17          3HG2      THR  17   5.732  -8.042   0.676
  141    H    ALA  18           H        ALA  18   4.594  -8.153   4.513
  142    HA   ALA  18           HA       ALA  18   4.310  -6.303   6.712
  143   1HB   ALA  18          1HB       ALA  18   2.675  -7.755   7.219
  144   2HB   ALA  18          2HB       ALA  18   3.172  -8.799   5.866
  145   3HB   ALA  18          3HB       ALA  18   3.890  -9.029   7.478
  Start of MODEL    4
    1   1H    ILE   1          H         ILE   1   2.911  -2.473  10.487
    2    HA   ILE   1           HA       ILE   1   3.812  -4.884   9.434
    3    HB   ILE   1           HB       ILE   1   0.850  -4.760   9.967
    4   1HG1  ILE   1          1HG1      ILE   1   2.168  -7.305  10.378
    5   2HG1  ILE   1          2HG1      ILE   1   2.996  -6.044  11.271
    6   1HG2  ILE   1          1HG2      ILE   1   0.648  -6.757   8.514
    7   2HG2  ILE   1          2HG2      ILE   1   1.090  -5.281   7.622
    8   3HG2  ILE   1          3HG2      ILE   1   2.328  -6.509   7.982
    9   1HD1  ILE   1          1HD1      ILE   1   1.198  -5.643  12.660
   10   2HD1  ILE   1          2HD1      ILE   1   0.003  -5.975  11.383
   11   3HD1  ILE   1          3HD1      ILE   1   0.802  -7.323  12.227
   12    H    ASN   2           H        ASN   2   3.188  -5.050   7.038
   13    HA   ASN   2           HA       ASN   2   3.416  -2.440   5.986
   14   1HB   ASN   2          1HB       ASN   2   4.611  -4.115   4.778
   15   2HB   ASN   2          2HB       ASN   2   3.275  -5.247   4.832
   16   1HD2  ASN   2          1HD2      ASN   2   2.614  -5.622   2.862
   17   2HD2  ASN   2          2HD2      ASN   2   2.287  -4.456   1.624
   18    H    TYR   3           H        TYR   3   1.905  -1.659   4.158
   19    HA   TYR   3           HA       TYR   3  -0.832  -2.661   4.539
   20   1HB   TYR   3          1HB       TYR   3  -0.249   0.236   3.889
   21   2HB   TYR   3          2HB       TYR   3  -1.525  -0.413   4.900
   22    HD1  TYR   3           1HD      TYR   3  -0.764  -1.434   7.204
   23    HD2  TYR   3           2HD      TYR   3   1.592   1.279   4.882
   24    HE1  TYR   3           1HE      TYR   3   0.568  -0.804   9.277
   25    HE2  TYR   3           2HE      TYR   3   2.915   1.900   6.962
   26    HH   TYR   3           HH       TYR   3   1.877   1.087  10.066
   27    H    TRP   4           H        TRP   4  -0.230  -3.939   2.557
   28    HA   TRP   4           HA       TRP   4   0.621  -3.002   0.191
   29   1HB   TRP   4          1HB       TRP   4  -0.934  -5.224   1.119
   30   2HB   TRP   4          2HB       TRP   4  -1.608  -4.653  -0.395
   31    HD1  TRP   4           HD       TRP   4   1.988  -3.917  -0.606
   32    HE1  TRP   4           1HE      TRP   4   3.373  -5.722  -1.942
   33    HE3  TRP   4           3HE      TRP   4  -1.636  -7.484  -0.574
   34    HZ2  TRP   4           2HZ      TRP   4   2.810  -8.380  -2.816
   35    HZ3  TRP   4           3HZ      TRP   4  -1.137  -9.656  -1.690
   36    HH2  TRP   4           HH       TRP   4   0.996 -10.132  -2.785
   37    H    LEU   5           H        LEU   5  -2.893  -3.111   1.157
   38    HA   LEU   5           HA       LEU   5  -4.600  -1.812   0.641
   39   1HB   LEU   5          1HB       LEU   5  -3.214  -0.072   1.663
   40   2HB   LEU   5          2HB       LEU   5  -2.488   0.282   0.108
   41    HG   LEU   5           HG       LEU   5  -4.847   0.837  -0.713
   42   1HD1  LEU   5          1HD1      LEU   5  -5.675  -0.261   1.631
   43   2HD1  LEU   5          2HD1      LEU   5  -5.682   1.470   2.045
   44   3HD1  LEU   5          3HD1      LEU   5  -6.627   0.883   0.656
   45   1HD2  LEU   5          1HD2      LEU   5  -3.253   2.457   1.249
   46   2HD2  LEU   5          2HD2      LEU   5  -3.450   2.665  -0.508
   47   3HD2  LEU   5          3HD2      LEU   5  -4.782   3.091   0.593
   48    H    ALA   6           H        ALA   6  -3.134   0.265  -1.697
   49    HA   ALA   6           HA       ALA   6  -2.986   0.191  -3.933
   50   1HB   ALA   6          1HB       ALA   6  -2.903  -1.802  -5.099
   51   2HB   ALA   6          2HB       ALA   6  -2.611  -2.408  -3.450
   52   3HB   ALA   6          3HB       ALA   6  -4.235  -2.529  -4.167
   53    H    HIS   7           H        HIS   7  -4.538   1.859  -4.006
   54    HA   HIS   7           HA       HIS   7  -7.051   1.019  -5.093
   55   1HB   HIS   7          1HB       HIS   7  -8.360   1.276  -3.322
   56   2HB   HIS   7          2HB       HIS   7  -6.927   1.439  -2.327
   57    HD1  HIS   7           1HD      HIS   7  -9.653   3.457  -3.962
   58    HD2  HIS   7           2HD      HIS   7  -6.305   4.079  -1.513
   59    HE1  HIS   7           1HE      HIS   7  -9.836   5.850  -3.095
   60    HE2  HIS   7           2HE      HIS   7  -7.780   6.156  -1.554
   61    H    ALA   8           H        ALA   8  -5.519   3.917  -3.507
   62    HA   ALA   8           HA       ALA   8  -4.934   5.209  -5.895
   63   1HB   ALA   8          1HB       ALA   8  -7.192   5.504  -6.453
   64   2HB   ALA   8          2HB       ALA   8  -7.685   5.722  -4.756
   65   3HB   ALA   8          3HB       ALA   8  -6.804   7.018  -5.601
   66    H    LYS   9           H        LYS   9  -6.644   7.140  -3.499
   67    HA   LYS   9           HA       LYS   9  -5.755   8.847  -2.319
   68   1HB   LYS   9          1HB       LYS   9  -6.205   6.972  -0.763
   69   2HB   LYS   9          2HB       LYS   9  -4.543   6.442  -0.924
   70   1HG   LYS   9          1HG       LYS   9  -4.417   7.766   1.007
   71   2HG   LYS   9          2HG       LYS   9  -3.934   8.914  -0.226
   72   1HD   LYS   9          1HD       LYS   9  -6.874   8.774   0.202
   73   2HD   LYS   9          2HD       LYS   9  -5.979   9.312   1.609
   74   1HE   LYS   9          1HE       LYS   9  -5.707  11.362   0.679
   75   2HE   LYS   9          2HE       LYS   9  -4.855  10.654  -0.678
   76   1HZ   LYS   9          1HZ       LYS   9  -6.641  11.526  -1.714
   77   2HZ   LYS   9          2HZ       LYS   9  -7.277  10.059  -1.383
   78   3HZ   LYS   9          3HZ       LYS   9  -7.656  11.343  -0.448
   79    H    ALA  10           H        ALA  10  -4.381   9.015  -4.592
   80    HA   ALA  10           HA       ALA  10  -2.520   9.915  -5.402
   81   1HB   ALA  10          1HB       ALA  10  -0.862  10.840  -3.958
   82   2HB   ALA  10          2HB       ALA  10  -2.400  10.976  -3.072
   83   3HB   ALA  10          3HB       ALA  10  -1.244   9.688  -2.656
   84    H    GLY  11           H        GLY  11  -2.908   7.401  -6.090
   85   1HA   GLY  11          1HA       GLY  11  -1.990   5.392  -6.568
   86   2HA   GLY  11          2HA       GLY  11  -0.536   6.337  -6.826
   87    H    TYR  12           H        TYR  12  -2.341   5.644  -3.757
   88    HA   TYR  12           HA       TYR  12  -0.060   5.259  -2.236
   89   1HB   TYR  12          1HB       TYR  12  -2.611   5.604  -1.672
   90   2HB   TYR  12          2HB       TYR  12  -2.798   3.884  -1.950
   91    HD1  TYR  12           1HD      TYR  12  -1.211   2.315  -0.544
   92    HD2  TYR  12           2HD      TYR  12  -2.110   6.371   0.476
   93    HE1  TYR  12           1HE      TYR  12  -0.559   1.860   1.871
   94    HE2  TYR  12           2HE      TYR  12  -1.455   5.903   2.887
   95    HH   TYR  12           HH       TYR  12  -1.396   3.836   4.366
   96    H    ILE  13           H        ILE  13  -1.534   3.178  -4.614
   97    HA   ILE  13           HA       ILE  13  -1.043   0.673  -3.648
   98    HB   ILE  13           HB       ILE  13  -2.220   0.876  -5.642
   99   1HG1  ILE  13          1HG1      ILE  13  -0.608  -1.060  -5.497
  100   2HG1  ILE  13          2HG1      ILE  13  -1.173  -0.656  -7.106
  101   1HG2  ILE  13          1HG2      ILE  13  -1.839   2.768  -6.786
  102   2HG2  ILE  13          2HG2      ILE  13  -0.110   2.801  -6.363
  103   3HG2  ILE  13          3HG2      ILE  13  -0.678   1.778  -7.704
  104   1HD1  ILE  13          1HD1      ILE  13   0.999  -0.524  -7.739
  105   2HD1  ILE  13          2HD1      ILE  13   1.126   0.949  -6.748
  106   3HD1  ILE  13          3HD1      ILE  13   1.551  -0.632  -6.050
  107    H    VAL  14           H        VAL  14   0.724  -0.452  -3.021
  108    HA   VAL  14           HA       VAL  14   3.307   0.435  -4.085
  109    HB   VAL  14           HB       VAL  14   2.631   1.252  -1.697
  110   1HG1  VAL  14          1HG1      VAL  14   3.904  -1.188  -0.631
  111   2HG1  VAL  14          2HG1      VAL  14   2.565  -0.211   0.017
  112   3HG1  VAL  14          3HG1      VAL  14   2.252  -1.422  -1.250
  113   1HG2  VAL  14          1HG2      VAL  14   5.018   0.890  -3.017
  114   2HG2  VAL  14          2HG2      VAL  14   4.816   1.730  -1.460
  115   3HG2  VAL  14          3HG2      VAL  14   5.293   0.015  -1.491
  116    H    HIS  15           H        HIS  15   4.763  -1.526  -2.472
  117    HA   HIS  15           HA       HIS  15   3.573  -4.062  -2.911
  118   1HB   HIS  15          1HB       HIS  15   5.679  -3.081  -4.843
  119   2HB   HIS  15          2HB       HIS  15   5.414  -4.787  -4.541
  120    HD1  HIS  15           1HD      HIS  15   4.675  -2.622  -7.086
  121    HD2  HIS  15           2HD      HIS  15   2.187  -5.014  -4.702
  122    HE1  HIS  15           1HE      HIS  15   2.520  -2.953  -8.411
  123    HE2  HIS  15           2HE      HIS  15   1.052  -4.475  -6.919
  124    H    TRP  16           H        TRP  16   4.355  -3.071  -0.557
  125    HA   TRP  16           HA       TRP  16   7.132  -3.553  -0.050
  126   1HB   TRP  16          1HB       TRP  16   4.846  -3.134   1.884
  127   2HB   TRP  16          2HB       TRP  16   6.556  -3.075   2.263
  128    HD1  TRP  16           HD       TRP  16   3.935  -0.694   1.847
  129    HE1  TRP  16           1HE      TRP  16   4.678   1.691   0.997
  130    HE3  TRP  16           3HE      TRP  16   8.494  -2.148   0.129
  131    HZ2  TRP  16           2HZ      TRP  16   7.036   2.680  -0.269
  132    HZ3  TRP  16           3HZ      TRP  16   9.956  -0.411  -0.900
  133    HH2  TRP  16           HH       TRP  16   9.292   1.932  -1.113
  134    H    THR  17           H        THR  17   6.783  -4.945   2.507
  135    HA   THR  17           HA       THR  17   5.597  -7.499   1.755
  136    HB   THR  17           HB       THR  17   7.722  -8.688   2.228
  137    HG1  THR  17           1HG      THR  17   9.562  -7.310   2.745
  138   1HG2  THR  17          1HG2      THR  17   8.437  -6.340   0.410
  139   2HG2  THR  17          2HG2      THR  17   9.046  -8.011   0.326
  140   3HG2  THR  17          3HG2      THR  17   7.363  -7.653  -0.130
  141    H    ALA  18           H        ALA  18   4.345  -8.172   3.369
  142    HA   ALA  18           HA       ALA  18   3.934  -6.924   5.698
  143   1HB   ALA  18          1HB       ALA  18   2.411  -8.596   5.404
  144   2HB   ALA  18          2HB       ALA  18   3.610  -9.706   4.697
  145   3HB   ALA  18          3HB       ALA  18   3.517  -9.505   6.463
  Start of MODEL    5
    1   1H    ILE   1          H         ILE   1   1.481  -4.677   9.777
    2    HA   ILE   1           HA       ILE   1   2.886  -3.466   8.556
    3    HB   ILE   1           HB       ILE   1   4.271  -6.111   8.118
    4   1HG1  ILE   1          1HG1      ILE   1   5.043  -4.472  10.446
    5   2HG1  ILE   1          2HG1      ILE   1   3.444  -5.179  10.563
    6   1HG2  ILE   1          1HG2      ILE   1   5.934  -4.930   7.252
    7   2HG2  ILE   1          2HG2      ILE   1   4.934  -3.462   7.365
    8   3HG2  ILE   1          3HG2      ILE   1   6.009  -3.911   8.710
    9   1HD1  ILE   1          1HD1      ILE   1   4.244  -7.356  10.588
   10   2HD1  ILE   1          2HD1      ILE   1   5.647  -6.964   9.566
   11   3HD1  ILE   1          3HD1      ILE   1   5.655  -6.531  11.293
   12    H    ASN   2           H        ASN   2   0.547  -4.956   7.156
   13    HA   ASN   2           HA       ASN   2   1.677  -4.819   4.475
   14   1HB   ASN   2          1HB       ASN   2   0.653  -6.997   4.921
   15   2HB   ASN   2          2HB       ASN   2  -0.785  -6.251   5.588
   16   1HD2  ASN   2          1HD2      ASN   2   1.211  -6.201   2.639
   17   2HD2  ASN   2          2HD2      ASN   2  -0.088  -6.156   1.494
   18    H    TYR   3           H        TYR   3   1.440  -2.364   4.780
   19    HA   TYR   3           HA       TYR   3  -1.289  -1.394   4.912
   20   1HB   TYR   3          1HB       TYR   3   1.346   0.086   4.358
   21   2HB   TYR   3          2HB       TYR   3  -0.100   0.762   5.080
   22    HD1  TYR   3           1HD      TYR   3  -0.805  -0.133   7.407
   23    HD2  TYR   3           2HD      TYR   3   3.074  -0.760   5.714
   24    HE1  TYR   3           1HE      TYR   3   0.135  -0.610   9.720
   25    HE2  TYR   3           2HE      TYR   3   4.001  -1.234   8.034
   26    HH   TYR   3           HH       TYR   3   2.923  -2.139  10.251
   27    H    TRP   4           H        TRP   4  -0.723  -3.069   2.621
   28    HA   TRP   4           HA       TRP   4   0.086  -1.816   0.346
   29   1HB   TRP   4          1HB       TRP   4  -1.021  -4.216   0.958
   30   2HB   TRP   4          2HB       TRP   4  -2.349  -3.471   0.090
   31    HD1  TRP   4           HD       TRP   4   0.439  -1.969  -1.613
   32    HE1  TRP   4           1HE      TRP   4   1.256  -3.243  -3.774
   33    HE3  TRP   4           3HE      TRP   4  -1.929  -6.345  -0.566
   34    HZ2  TRP   4           2HZ      TRP   4   0.830  -5.879  -4.781
   35    HZ3  TRP   4           3HZ      TRP   4  -1.677  -8.219  -2.191
   36    HH2  TRP   4           HH       TRP   4  -0.355  -8.038  -4.238
   37    H    LEU   5           H        LEU   5  -3.450  -2.254   1.003
   38    HA   LEU   5           HA       LEU   5  -5.183  -0.922   0.705
   39   1HB   LEU   5          1HB       LEU   5  -4.422   0.488   2.387
   40   2HB   LEU   5          2HB       LEU   5  -3.086   1.093   1.428
   41    HG   LEU   5           HG       LEU   5  -5.047   2.668   1.872
   42   1HD1  LEU   5          1HD1      LEU   5  -3.978   3.807   0.300
   43   2HD1  LEU   5          2HD1      LEU   5  -3.382   2.301  -0.438
   44   3HD1  LEU   5          3HD1      LEU   5  -4.952   2.975  -0.935
   45   1HD2  LEU   5          1HD2      LEU   5  -6.595   1.981  -0.409
   46   2HD2  LEU   5          2HD2      LEU   5  -6.474   0.534   0.619
   47   3HD2  LEU   5          3HD2      LEU   5  -7.097   2.057   1.297
   48    H    ALA   6           H        ALA   6  -2.887  -1.490  -1.467
   49    HA   ALA   6           HA       ALA   6  -2.784   0.354  -3.395
   50   1HB   ALA   6          1HB       ALA   6  -2.660  -1.523  -4.988
   51   2HB   ALA   6          2HB       ALA   6  -1.780  -1.905  -3.489
   52   3HB   ALA   6          3HB       ALA   6  -3.390  -2.607  -3.779
   53    H    HIS   7           H        HIS   7  -4.369   1.765  -3.991
   54    HA   HIS   7           HA       HIS   7  -6.682   0.658  -5.264
   55   1HB   HIS   7          1HB       HIS   7  -8.211   0.959  -3.685
   56   2HB   HIS   7          2HB       HIS   7  -6.909   1.239  -2.547
   57    HD1  HIS   7           1HD      HIS   7  -9.545   3.027  -4.544
   58    HD2  HIS   7           2HD      HIS   7  -6.473   3.956  -1.842
   59    HE1  HIS   7           1HE      HIS   7  -9.922   5.450  -3.839
   60    HE2  HIS   7           2HE      HIS   7  -8.036   5.947  -2.138
   61    H    ALA   8           H        ALA   8  -5.498   3.756  -3.761
   62    HA   ALA   8           HA       ALA   8  -4.781   4.921  -6.180
   63   1HB   ALA   8          1HB       ALA   8  -7.608   5.530  -5.238
   64   2HB   ALA   8          2HB       ALA   8  -6.701   6.564  -6.367
   65   3HB   ALA   8          3HB       ALA   8  -7.103   4.891  -6.821
   66    H    LYS   9           H        LYS   9  -6.760   7.014  -4.218
   67    HA   LYS   9           HA       LYS   9  -6.045   8.837  -3.103
   68   1HB   LYS   9          1HB       LYS   9  -6.692   7.158  -1.422
   69   2HB   LYS   9          2HB       LYS   9  -5.040   6.582  -1.340
   70   1HG   LYS   9          1HG       LYS   9  -4.848   8.097   0.370
   71   2HG   LYS   9          2HG       LYS   9  -4.610   9.253  -0.926
   72   1HD   LYS   9          1HD       LYS   9  -7.464   8.675  -0.265
   73   2HD   LYS   9          2HD       LYS   9  -6.559   9.473   1.006
   74   1HE   LYS   9          1HE       LYS   9  -5.731  11.024  -1.032
   75   2HE   LYS   9          2HE       LYS   9  -7.223  10.468  -1.765
   76   1HZ   LYS   9          1HZ       LYS   9  -7.482  12.488  -0.453
   77   2HZ   LYS   9          2HZ       LYS   9  -8.425  11.279   0.109
   78   3HZ   LYS   9          3HZ       LYS   9  -7.058  11.685   0.904
   79    H    ALA  10           H        ALA  10  -4.364   8.695  -5.211
   80    HA   ALA  10           HA       ALA  10  -2.442   9.689  -5.794
   81   1HB   ALA  10          1HB       ALA  10  -2.550  10.561  -3.285
   82   2HB   ALA  10          2HB       ALA  10  -1.216   9.404  -3.063
   83   3HB   ALA  10          3HB       ALA  10  -1.061  10.724  -4.247
   84    H    GLY  11           H        GLY  11  -2.847   7.192  -6.535
   85   1HA   GLY  11          1HA       GLY  11  -1.959   5.147  -6.922
   86   2HA   GLY  11          2HA       GLY  11  -0.469   6.054  -7.084
   87    H    TYR  12           H        TYR  12  -2.517   5.371  -4.164
   88    HA   TYR  12           HA       TYR  12  -0.218   4.802  -2.599
   89   1HB   TYR  12          1HB       TYR  12  -2.715   5.680  -2.109
   90   2HB   TYR  12          2HB       TYR  12  -3.115   3.975  -2.054
   91    HD1  TYR  12           1HD      TYR  12  -0.526   2.996  -0.744
   92    HD2  TYR  12           2HD      TYR  12  -3.136   6.265   0.156
   93    HE1  TYR  12           1HE      TYR  12   0.194   2.910   1.693
   94    HE2  TYR  12           2HE      TYR  12  -2.406   6.168   2.589
   95    HH   TYR  12           HH       TYR  12   0.236   4.120   3.598
   96    H    ILE  13           H        ILE  13   0.312   3.122  -4.583
   97    HA   ILE  13           HA       ILE  13  -0.531   0.515  -3.526
   98    HB   ILE  13           HB       ILE  13  -1.611   0.367  -5.486
   99   1HG1  ILE  13          1HG1      ILE  13  -0.318  -0.786  -7.182
  100   2HG1  ILE  13          2HG1      ILE  13   1.183  -0.142  -6.545
  101   1HG2  ILE  13          1HG2      ILE  13  -1.362   2.635  -6.190
  102   2HG2  ILE  13          2HG2      ILE  13   0.343   2.375  -6.631
  103   3HG2  ILE  13          3HG2      ILE  13  -0.949   1.590  -7.571
  104   1HD1  ILE  13          1HD1      ILE  13  -0.456  -2.405  -5.574
  105   2HD1  ILE  13          2HD1      ILE  13   1.275  -2.069  -5.330
  106   3HD1  ILE  13          3HD1      ILE  13   0.063  -1.296  -4.281
  107    H    VAL  14           H        VAL  14   1.220  -0.008  -2.270
  108    HA   VAL  14           HA       VAL  14   3.858   0.384  -3.477
  109    HB   VAL  14           HB       VAL  14   3.038   1.197  -1.102
  110   1HG1  VAL  14          1HG1      VAL  14   3.006  -0.291   0.609
  111   2HG1  VAL  14          2HG1      VAL  14   2.629  -1.449  -0.689
  112   3HG1  VAL  14          3HG1      VAL  14   4.299  -1.294  -0.093
  113   1HG2  VAL  14          1HG2      VAL  14   5.457   0.952  -2.342
  114   2HG2  VAL  14          2HG2      VAL  14   5.215   1.671  -0.732
  115   3HG2  VAL  14          3HG2      VAL  14   5.719  -0.029  -0.880
  116    H    HIS  15           H        HIS  15   5.155  -1.631  -1.828
  117    HA   HIS  15           HA       HIS  15   3.876  -4.115  -2.255
  118   1HB   HIS  15          1HB       HIS  15   5.980  -3.224  -4.228
  119   2HB   HIS  15          2HB       HIS  15   5.712  -4.920  -3.879
  120    HD1  HIS  15           1HD      HIS  15   4.969  -2.873  -6.493
  121    HD2  HIS  15           2HD      HIS  15   2.457  -5.078  -3.959
  122    HE1  HIS  15           1HE      HIS  15   2.785  -3.211  -7.769
  123    HE2  HIS  15           2HE      HIS  15   1.302  -4.619  -6.183
  124    H    TRP  16           H        TRP  16   4.647  -3.264   0.099
  125    HA   TRP  16           HA       TRP  16   7.411  -3.668   0.648
  126   1HB   TRP  16          1HB       TRP  16   5.082  -3.594   2.572
  127   2HB   TRP  16          2HB       TRP  16   6.779  -3.384   2.958
  128    HD1  TRP  16           HD       TRP  16   3.906  -1.273   2.673
  129    HE1  TRP  16           1HE      TRP  16   4.397   1.234   2.012
  130    HE3  TRP  16           3HE      TRP  16   8.619  -2.100   0.951
  131    HZ2  TRP  16           2HZ      TRP  16   6.651   2.560   0.869
  132    HZ3  TRP  16           3HZ      TRP  16   9.896  -0.145   0.080
  133    HH2  TRP  16           HH       TRP  16   8.985   2.123   0.022
  134    H    THR  17           H        THR  17   7.134  -5.291   3.056
  135    HA   THR  17           HA       THR  17   6.109  -7.841   2.085
  136    HB   THR  17           HB       THR  17   8.438  -8.809   2.817
  137    HG1  THR  17           1HG      THR  17   9.995  -7.201   3.055
  138   1HG2  THR  17          1HG2      THR  17   9.529  -8.087   0.606
  139   2HG2  THR  17          2HG2      THR  17   7.923  -8.833   0.433
  140   3HG2  THR  17          3HG2      THR  17   8.099  -7.065   0.325
  141    H    ALA  18           H        ALA  18   4.558  -8.022   3.639
  142    HA   ALA  18           HA       ALA  18   4.790  -7.165   6.248
  143   1HB   ALA  18          1HB       ALA  18   2.629  -7.740   5.927
  144   2HB   ALA  18          2HB       ALA  18   3.045  -8.899   4.641
  145   3HB   ALA  18          3HB       ALA  18   3.131  -9.396   6.348
  Start of MODEL    6
    1   1H    ILE   1          H         ILE   1   0.904  -9.418   7.758
    2    HA   ILE   1           HA       ILE   1   0.896  -6.853   8.641
    3    HB   ILE   1           HB       ILE   1   3.776  -7.670   8.349
    4   1HG1  ILE   1          1HG1      ILE   1   2.837  -8.886  10.273
    5   2HG1  ILE   1          2HG1      ILE   1   4.011  -7.677  10.754
    6   1HG2  ILE   1          1HG2      ILE   1   4.143  -5.486   8.379
    7   2HG2  ILE   1          2HG2      ILE   1   2.392  -5.184   8.476
    8   3HG2  ILE   1          3HG2      ILE   1   3.348  -5.363   9.967
    9   1HD1  ILE   1          1HD1      ILE   1   2.405  -6.994  12.225
   10   2HD1  ILE   1          2HD1      ILE   1   1.663  -6.208  10.811
   11   3HD1  ILE   1          3HD1      ILE   1   1.108  -7.819  11.327
   12    H    ASN   2           H        ASN   2   1.013  -5.409   6.883
   13    HA   ASN   2           HA       ASN   2   2.332  -5.636   4.605
   14   1HB   ASN   2          1HB       ASN   2   0.321  -7.757   4.712
   15   2HB   ASN   2          2HB       ASN   2  -0.057  -6.662   3.397
   16   1HD2  ASN   2          1HD2      ASN   2   1.665  -6.115   1.887
   17   2HD2  ASN   2          2HD2      ASN   2   2.860  -7.299   1.476
   18    H    TYR   3           H        TYR   3   1.978  -3.339   4.806
   19    HA   TYR   3           HA       TYR   3  -0.742  -2.355   4.838
   20   1HB   TYR   3          1HB       TYR   3   1.935  -0.882   4.512
   21   2HB   TYR   3          2HB       TYR   3   0.458  -0.221   5.183
   22    HD1  TYR   3           1HD      TYR   3  -0.447  -1.750   7.292
   23    HD2  TYR   3           2HD      TYR   3   3.619  -1.304   6.039
   24    HE1  TYR   3           1HE      TYR   3   0.348  -2.363   9.628
   25    HE2  TYR   3           2HE      TYR   3   4.400  -1.918   8.379
   26    HH   TYR   3           HH       TYR   3   3.821  -2.568  10.354
   27    H    TRP   4           H        TRP   4  -0.501  -3.804   2.525
   28    HA   TRP   4           HA       TRP   4   0.585  -2.745   0.301
   29   1HB   TRP   4          1HB       TRP   4  -1.432  -4.613   0.921
   30   2HB   TRP   4          2HB       TRP   4  -2.127  -3.533  -0.271
   31    HD1  TRP   4           HD       TRP   4   1.091  -3.229  -1.556
   32    HE1  TRP   4           1HE      TRP   4   1.871  -5.049  -3.300
   33    HE3  TRP   4           3HE      TRP   4  -2.429  -6.683  -0.316
   34    HZ2  TRP   4           2HZ      TRP   4   0.949  -7.670  -3.951
   35    HZ3  TRP   4           3HZ      TRP   4  -2.419  -8.847  -1.554
   36    HH2  TRP   4           HH       TRP   4  -0.807  -9.365  -3.317
   37    H    LEU   5           H        LEU   5  -2.718  -1.926   1.605
   38    HA   LEU   5           HA       LEU   5  -3.910  -0.069   1.514
   39   1HB   LEU   5          1HB       LEU   5  -2.238   1.185   2.503
   40   2HB   LEU   5          2HB       LEU   5  -1.166   1.057   1.123
   41    HG   LEU   5           HG       LEU   5  -2.210   3.330   1.585
   42   1HD1  LEU   5          1HD1      LEU   5  -1.911   1.914  -0.974
   43   2HD1  LEU   5          2HD1      LEU   5  -2.943   3.363  -1.052
   44   3HD1  LEU   5          3HD1      LEU   5  -1.275   3.490  -0.443
   45   1HD2  LEU   5          1HD2      LEU   5  -4.628   1.750   1.206
   46   2HD2  LEU   5          2HD2      LEU   5  -4.414   3.379   1.892
   47   3HD2  LEU   5          3HD2      LEU   5  -4.569   3.168   0.132
   48    H    ALA   6           H        ALA   6  -2.776  -1.741  -1.003
   49    HA   ALA   6           HA       ALA   6  -2.953  -0.162  -3.241
   50   1HB   ALA   6          1HB       ALA   6  -3.864  -3.038  -2.818
   51   2HB   ALA   6          2HB       ALA   6  -3.538  -2.281  -4.395
   52   3HB   ALA   6          3HB       ALA   6  -2.215  -2.506  -3.226
   53    H    HIS   7           H        HIS   7  -4.534   1.473  -3.103
   54    HA   HIS   7           HA       HIS   7  -7.251   0.448  -3.416
   55   1HB   HIS   7          1HB       HIS   7  -7.929   1.383  -1.525
   56   2HB   HIS   7          2HB       HIS   7  -6.292   1.902  -1.178
   57    HD1  HIS   7           1HD      HIS   7  -9.457   3.138  -2.906
   58    HD2  HIS   7           2HD      HIS   7  -5.859   4.632  -1.352
   59    HE1  HIS   7           1HE      HIS   7  -9.659   5.682  -2.953
   60    HE2  HIS   7           2HE      HIS   7  -7.441   6.542  -1.936
   61    H    ALA   8           H        ALA   8  -5.538   3.657  -3.403
   62    HA   ALA   8           HA       ALA   8  -5.403   3.999  -6.119
   63   1HB   ALA   8          1HB       ALA   8  -8.075   4.790  -4.929
   64   2HB   ALA   8          2HB       ALA   8  -7.420   5.598  -6.374
   65   3HB   ALA   8          3HB       ALA   8  -7.747   3.848  -6.404
   66    H    LYS   9           H        LYS   9  -7.071   6.712  -4.824
   67    HA   LYS   9           HA       LYS   9  -6.259   8.765  -4.455
   68   1HB   LYS   9          1HB       LYS   9  -6.556   8.235  -2.225
   69   2HB   LYS   9          2HB       LYS   9  -5.302   7.011  -2.223
   70   1HG   LYS   9          1HG       LYS   9  -3.639   8.525  -1.768
   71   2HG   LYS   9          2HG       LYS   9  -4.289   9.723  -2.869
   72   1HD   LYS   9          1HD       LYS   9  -4.492  10.650  -0.650
   73   2HD   LYS   9          2HD       LYS   9  -6.111  10.211  -1.156
   74   1HE   LYS   9          1HE       LYS   9  -6.311   8.576   0.445
   75   2HE   LYS   9          2HE       LYS   9  -4.671   8.005   0.212
   76   1HZ   LYS   9          1HZ       LYS   9  -4.940  10.607   1.417
   77   2HZ   LYS   9          2HZ       LYS   9  -5.431   9.345   2.330
   78   3HZ   LYS   9          3HZ       LYS   9  -3.899   9.399   1.767
   79    H    ALA  10           H        ALA  10  -5.065   8.576  -6.600
   80    HA   ALA  10           HA       ALA  10  -3.269   8.988  -7.824
   81   1HB   ALA  10          1HB       ALA  10  -2.365  10.854  -6.961
   82   2HB   ALA  10          2HB       ALA  10  -2.873  10.380  -5.321
   83   3HB   ALA  10          3HB       ALA  10  -1.302   9.837  -5.959
   84    H    GLY  11           H        GLY  11  -3.497   6.418  -7.668
   85   1HA   GLY  11          1HA       GLY  11  -2.514   4.389  -7.375
   86   2HA   GLY  11          2HA       GLY  11  -1.153   5.222  -8.100
   87    H    TYR  12           H        TYR  12  -2.685   5.601  -4.830
   88    HA   TYR  12           HA       TYR  12  -0.250   5.890  -3.510
   89   1HB   TYR  12          1HB       TYR  12  -2.710   6.443  -2.838
   90   2HB   TYR  12          2HB       TYR  12  -2.925   4.735  -2.511
   91    HD1  TYR  12           1HD      TYR  12  -3.630   5.930  -0.246
   92    HD2  TYR  12           2HD      TYR  12   0.391   5.603  -1.672
   93    HE1  TYR  12           1HE      TYR  12  -2.757   6.273   2.117
   94    HE2  TYR  12           2HE      TYR  12   1.250   5.948   0.696
   95    HH   TYR  12           HH       TYR  12  -0.744   5.703   3.390
   96    H    ILE  13           H        ILE  13  -1.659   3.085  -4.915
   97    HA   ILE  13           HA       ILE  13  -1.094   1.095  -3.118
   98    HB   ILE  13           HB       ILE  13  -2.308   0.524  -5.006
   99   1HG1  ILE  13          1HG1      ILE  13  -0.532  -1.143  -4.261
  100   2HG1  ILE  13          2HG1      ILE  13  -1.242  -1.389  -5.844
  101   1HG2  ILE  13          1HG2      ILE  13  -0.938   0.714  -7.326
  102   2HG2  ILE  13          2HG2      ILE  13  -2.039   1.972  -6.713
  103   3HG2  ILE  13          3HG2      ILE  13  -0.284   2.124  -6.458
  104   1HD1  ILE  13          1HD1      ILE  13   0.794  -1.241  -6.817
  105   2HD1  ILE  13          2HD1      ILE  13   1.031   0.382  -6.126
  106   3HD1  ILE  13          3HD1      ILE  13   1.521  -1.058  -5.203
  107    H    VAL  14           H        VAL  14   0.719   0.157  -2.288
  108    HA   VAL  14           HA       VAL  14   3.262   0.993  -3.503
  109    HB   VAL  14           HB       VAL  14   4.187   0.843  -1.195
  110   1HG1  VAL  14          1HG1      VAL  14   2.206   2.880  -2.105
  111   2HG1  VAL  14          2HG1      VAL  14   2.760   2.974  -0.416
  112   3HG1  VAL  14          3HG1      VAL  14   3.942   3.045  -1.745
  113   1HG2  VAL  14          1HG2      VAL  14   2.989  -0.000   0.485
  114   2HG2  VAL  14          2HG2      VAL  14   1.771   1.282   0.280
  115   3HG2  VAL  14          3HG2      VAL  14   1.616  -0.245  -0.621
  116    H    HIS  15           H        HIS  15   4.967  -0.686  -2.059
  117    HA   HIS  15           HA       HIS  15   3.875  -3.354  -2.424
  118   1HB   HIS  15          1HB       HIS  15   6.363  -2.329  -3.818
  119   2HB   HIS  15          2HB       HIS  15   5.925  -4.021  -3.698
  120    HD1  HIS  15           1HD      HIS  15   5.878  -1.564  -6.139
  121    HD2  HIS  15           2HD      HIS  15   2.884  -4.108  -4.669
  122    HE1  HIS  15           1HE      HIS  15   4.093  -1.694  -7.958
  123    HE2  HIS  15           2HE      HIS  15   2.306  -3.314  -7.020
  124    H    TRP  16           H        TRP  16   4.182  -2.152   0.020
  125    HA   TRP  16           HA       TRP  16   6.768  -2.441   1.109
  126   1HB   TRP  16          1HB       TRP  16   4.144  -2.502   2.598
  127   2HB   TRP  16          2HB       TRP  16   5.723  -2.067   3.222
  128    HD1  TRP  16           HD       TRP  16   3.342   0.032   3.429
  129    HE1  TRP  16           1HE      TRP  16   3.416   2.404   2.277
  130    HE3  TRP  16           3HE      TRP  16   6.837  -1.190  -0.056
  131    HZ2  TRP  16           2HZ      TRP  16   4.896   3.480   0.086
  132    HZ3  TRP  16           3HZ      TRP  16   7.541   0.580  -1.665
  133    HH2  TRP  16           HH       TRP  16   6.630   2.848  -1.632
  134    H    THR  17           H        THR  17   6.498  -4.010   3.393
  135    HA   THR  17           HA       THR  17   5.599  -6.637   2.486
  136    HB   THR  17           HB       THR  17   7.910  -7.500   3.322
  137    HG1  THR  17           1HG      THR  17   8.279  -4.622   2.864
  138   1HG2  THR  17          1HG2      THR  17   8.618  -7.534   1.138
  139   2HG2  THR  17          2HG2      THR  17   7.119  -6.650   0.765
  140   3HG2  THR  17          3HG2      THR  17   8.633  -5.757   1.043
  141    H    ALA  18           H        ALA  18   6.073  -8.270   4.432
  142    HA   ALA  18           HA       ALA  18   4.611  -7.121   6.617
  143   1HB   ALA  18          1HB       ALA  18   5.669  -9.881   5.932
  144   2HB   ALA  18          2HB       ALA  18   4.863  -9.528   7.479
  145   3HB   ALA  18          3HB       ALA  18   3.981  -9.316   5.947
  Start of MODEL    7
    1   1H    ILE   1          H         ILE   1   4.943  -3.065   9.624
    2    HA   ILE   1           HA       ILE   1   4.020  -4.897   8.770
    3    HB   ILE   1           HB       ILE   1   1.455  -3.388   9.277
    4   1HG1  ILE   1          1HG1      ILE   1   2.704  -5.137  11.349
    5   2HG1  ILE   1          2HG1      ILE   1   3.398  -3.546  11.110
    6   1HG2  ILE   1          1HG2      ILE   1   0.865  -5.371   8.199
    7   2HG2  ILE   1          2HG2      ILE   1   2.145  -6.308   9.007
    8   3HG2  ILE   1          3HG2      ILE   1   0.722  -5.766   9.929
    9   1HD1  ILE   1          1HD1      ILE   1   0.562  -4.259  11.924
   10   2HD1  ILE   1          2HD1      ILE   1   1.720  -3.186  12.746
   11   3HD1  ILE   1          3HD1      ILE   1   0.942  -2.663  11.234
   12    H    ASN   2           H        ASN   2   2.419  -5.838   7.047
   13    HA   ASN   2           HA       ASN   2   3.160  -4.675   4.632
   14   1HB   ASN   2          1HB       ASN   2   2.746  -7.047   4.653
   15   2HB   ASN   2          2HB       ASN   2   1.185  -6.856   5.426
   16   1HD2  ASN   2          1HD2      ASN   2   2.838  -5.471   2.584
   17   2HD2  ASN   2          2HD2      ASN   2   1.572  -5.753   1.435
   18    H    TYR   3           H        TYR   3   2.328  -2.493   4.511
   19    HA   TYR   3           HA       TYR   3  -0.560  -2.169   4.792
   20   1HB   TYR   3          1HB       TYR   3   1.689  -0.153   4.207
   21   2HB   TYR   3          2HB       TYR   3   0.101   0.229   4.842
   22    HD1  TYR   3           1HD      TYR   3  -0.411  -1.298   7.113
   23    HD2  TYR   3           2HD      TYR   3   3.407   0.060   5.738
   24    HE1  TYR   3           1HE      TYR   3   0.506  -1.455   9.479
   25    HE2  TYR   3           2HE      TYR   3   4.310  -0.102   8.109
   26    HH   TYR   3           HH       TYR   3   3.760  -1.422  10.156
   27    H    TRP   4           H        TRP   4  -0.064  -3.727   2.594
   28    HA   TRP   4           HA       TRP   4   0.633  -2.635   0.228
   29   1HB   TRP   4          1HB       TRP   4  -0.351  -4.975   0.918
   30   2HB   TRP   4          2HB       TRP   4  -1.862  -4.281   0.364
   31    HD1  TRP   4           HD       TRP   4   0.440  -2.701  -1.905
   32    HE1  TRP   4           1HE      TRP   4   0.802  -3.960  -4.196
   33    HE3  TRP   4           3HE      TRP   4  -1.510  -7.141  -0.375
   34    HZ2  TRP   4           2HZ      TRP   4   0.245  -6.612  -5.090
   35    HZ3  TRP   4           3HZ      TRP   4  -1.564  -9.014  -2.019
   36    HH2  TRP   4           HH       TRP   4  -0.728  -8.803  -4.306
   37    H    LEU   5           H        LEU   5  -2.891  -2.926   0.993
   38    HA   LEU   5           HA       LEU   5  -4.585  -1.646   0.316
   39   1HB   LEU   5          1HB       LEU   5  -4.304  -0.625   2.368
   40   2HB   LEU   5          2HB       LEU   5  -2.794   0.139   1.913
   41    HG   LEU   5           HG       LEU   5  -4.888   1.606   2.204
   42   1HD1  LEU   5          1HD1      LEU   5  -2.684   1.740   0.315
   43   2HD1  LEU   5          2HD1      LEU   5  -4.097   2.665  -0.246
   44   3HD1  LEU   5          3HD1      LEU   5  -3.387   3.007   1.350
   45   1HD2  LEU   5          1HD2      LEU   5  -6.676   1.124   0.984
   46   2HD2  LEU   5          2HD2      LEU   5  -5.761   1.583  -0.472
   47   3HD2  LEU   5          3HD2      LEU   5  -5.779  -0.112   0.071
   48    H    ALA   6           H        ALA   6  -2.243  -1.975  -1.602
   49    HA   ALA   6           HA       ALA   6  -1.639   0.294  -2.979
   50   1HB   ALA   6          1HB       ALA   6  -2.256  -1.947  -4.755
   51   2HB   ALA   6          2HB       ALA   6  -0.685  -1.212  -4.357
   52   3HB   ALA   6          3HB       ALA   6  -1.370  -2.474  -3.305
   53    H    HIS   7           H        HIS   7  -3.076   1.909  -3.437
   54    HA   HIS   7           HA       HIS   7  -5.082   1.360  -5.367
   55   1HB   HIS   7          1HB       HIS   7  -6.866   1.063  -4.087
   56   2HB   HIS   7          2HB       HIS   7  -5.859   1.123  -2.654
   57    HD1  HIS   7           1HD      HIS   7  -8.523   2.940  -4.405
   58    HD2  HIS   7           2HD      HIS   7  -5.572   3.857  -1.568
   59    HE1  HIS   7           1HE      HIS   7  -9.217   5.153  -3.341
   60    HE2  HIS   7           2HE      HIS   7  -7.395   5.637  -1.569
   61    H    ALA   8           H        ALA   8  -6.518   3.621  -5.473
   62    HA   ALA   8           HA       ALA   8  -4.935   5.506  -6.518
   63   1HB   ALA   8          1HB       ALA   8  -7.204   5.861  -6.833
   64   2HB   ALA   8          2HB       ALA   8  -7.597   5.572  -5.121
   65   3HB   ALA   8          3HB       ALA   8  -6.850   7.110  -5.615
   66    H    LYS   9           H        LYS   9  -6.470   6.670  -3.528
   67    HA   LYS   9           HA       LYS   9  -5.568   8.179  -2.106
   68   1HB   LYS   9          1HB       LYS   9  -5.528   5.792  -1.148
   69   2HB   LYS   9          2HB       LYS   9  -3.795   5.838  -1.396
   70   1HG   LYS   9          1HG       LYS   9  -4.292   6.562   0.891
   71   2HG   LYS   9          2HG       LYS   9  -3.656   7.923  -0.011
   72   1HD   LYS   9          1HD       LYS   9  -5.779   8.971  -0.194
   73   2HD   LYS   9          2HD       LYS   9  -6.652   7.480   0.100
   74   1HE   LYS   9          1HE       LYS   9  -4.896   8.812   2.212
   75   2HE   LYS   9          2HE       LYS   9  -6.608   9.146   2.052
   76   1HZ   LYS   9          1HZ       LYS   9  -5.304   6.772   3.010
   77   2HZ   LYS   9          2HZ       LYS   9  -6.735   7.424   3.448
   78   3HZ   LYS   9          3HZ       LYS   9  -6.632   6.515   2.095
   79    H    ALA  10           H        ALA  10  -4.548   8.933  -4.488
   80    HA   ALA  10           HA       ALA  10  -2.907  10.139  -5.358
   81   1HB   ALA  10          1HB       ALA  10  -2.117  11.452  -3.711
   82   2HB   ALA  10          2HB       ALA  10  -2.360  10.171  -2.500
   83   3HB   ALA  10          3HB       ALA  10  -0.847  10.236  -3.435
   84    H    GLY  11           H        GLY  11  -3.025   7.618  -6.245
   85   1HA   GLY  11          1HA       GLY  11  -1.867   5.904  -7.131
   86   2HA   GLY  11          2HA       GLY  11  -0.554   7.055  -7.288
   87    H    TYR  12           H        TYR  12  -2.072   5.789  -4.256
   88    HA   TYR  12           HA       TYR  12   0.456   5.316  -3.084
   89   1HB   TYR  12          1HB       TYR  12  -1.878   5.844  -2.046
   90   2HB   TYR  12          2HB       TYR  12  -2.339   4.198  -2.431
   91    HD1  TYR  12           1HD      TYR  12   1.077   4.160  -1.594
   92    HD2  TYR  12           2HD      TYR  12  -2.801   4.466   0.186
   93    HE1  TYR  12           1HE      TYR  12   2.028   3.373   0.629
   94    HE2  TYR  12           2HE      TYR  12  -1.838   3.678   2.403
   95    HH   TYR  12           HH       TYR  12   1.155   2.228   2.653
   96    H    ILE  13           H        ILE  13  -1.269   3.587  -5.459
   97    HA   ILE  13           HA       ILE  13  -1.189   0.983  -4.800
   98    HB   ILE  13           HB       ILE  13  -2.038   1.363  -6.865
   99   1HG1  ILE  13          1HG1      ILE  13  -0.638   0.295  -8.562
  100   2HG1  ILE  13          2HG1      ILE  13   0.791   0.536  -7.578
  101   1HG2  ILE  13          1HG2      ILE  13   0.031   3.448  -7.021
  102   2HG2  ILE  13          2HG2      ILE  13  -0.344   2.661  -8.573
  103   3HG2  ILE  13          3HG2      ILE  13  -1.642   3.431  -7.629
  104   1HD1  ILE  13          1HD1      ILE  13  -1.493  -0.846  -6.226
  105   2HD1  ILE  13          2HD1      ILE  13  -0.675  -1.752  -7.522
  106   3HD1  ILE  13          3HD1      ILE  13   0.254  -1.168  -6.121
  107    H    VAL  14           H        VAL  14   0.368   0.166  -3.440
  108    HA   VAL  14           HA       VAL  14   3.098   0.223  -4.523
  109    HB   VAL  14           HB       VAL  14   2.458   1.665  -2.410
  110   1HG1  VAL  14          1HG1      VAL  14   2.203   0.631  -0.413
  111   2HG1  VAL  14          2HG1      VAL  14   1.664  -0.736  -1.417
  112   3HG1  VAL  14          3HG1      VAL  14   3.340  -0.676  -0.823
  113   1HG2  VAL  14          1HG2      VAL  14   4.682   1.895  -2.187
  114   2HG2  VAL  14          2HG2      VAL  14   4.915   0.173  -1.803
  115   3HG2  VAL  14          3HG2      VAL  14   4.800   0.699  -3.499
  116    H    HIS  15           H        HIS  15   4.121  -1.536  -2.447
  117    HA   HIS  15           HA       HIS  15   2.483  -3.840  -2.326
  118   1HB   HIS  15          1HB       HIS  15   4.884  -4.510  -3.906
  119   2HB   HIS  15          2HB       HIS  15   3.261  -5.166  -3.981
  120    HD1  HIS  15           1HD      HIS  15   1.921  -4.519  -5.994
  121    HD2  HIS  15           2HD      HIS  15   5.020  -1.802  -5.213
  122    HE1  HIS  15           1HE      HIS  15   1.906  -2.845  -7.920
  123    HE2  HIS  15           2HE      HIS  15   3.795  -1.169  -7.357
  124    H    TRP  16           H        TRP  16   3.313  -2.736  -0.165
  125    HA   TRP  16           HA       TRP  16   6.022  -3.291   0.524
  126   1HB   TRP  16          1HB       TRP  16   3.705  -2.665   2.357
  127   2HB   TRP  16          2HB       TRP  16   5.414  -2.514   2.713
  128    HD1  TRP  16           HD       TRP  16   2.724  -0.271   2.049
  129    HE1  TRP  16           1HE      TRP  16   3.393   2.020   0.923
  130    HE3  TRP  16           3HE      TRP  16   7.314  -1.786   0.469
  131    HZ2  TRP  16           2HZ      TRP  16   5.715   2.921  -0.470
  132    HZ3  TRP  16           3HZ      TRP  16   8.719  -0.139  -0.766
  133    HH2  TRP  16           HH       TRP  16   7.987   2.144  -1.242
  134    H    THR  17           H        THR  17   5.570  -4.421   3.170
  135    HA   THR  17           HA       THR  17   4.149  -6.891   2.844
  136    HB   THR  17           HB       THR  17   6.354  -8.219   3.196
  137    HG1  THR  17           1HG      THR  17   7.501  -6.120   3.657
  138   1HG2  THR  17          1HG2      THR  17   5.108  -7.906   0.906
  139   2HG2  THR  17          2HG2      THR  17   6.361  -6.690   0.561
  140   3HG2  THR  17          3HG2      THR  17   6.822  -8.383   0.855
  141    H    ALA  18           H        ALA  18   4.791  -8.384   4.852
  142    HA   ALA  18           HA       ALA  18   3.933  -7.054   7.086
  143   1HB   ALA  18          1HB       ALA  18   3.755  -9.270   7.500
  144   2HB   ALA  18          2HB       ALA  18   5.095  -9.669   6.397
  145   3HB   ALA  18          3HB       ALA  18   5.438  -9.168   8.070
  Start of MODEL    8
    1   1H    ILE   1          H         ILE   1   5.607  -7.543   8.799
    2    HA   ILE   1           HA       ILE   1   3.236  -7.262   8.918
    3    HB   ILE   1           HB       ILE   1   4.872  -5.367   9.428
    4   1HG1  ILE   1          1HG1      ILE   1   2.322  -4.037   8.847
    5   2HG1  ILE   1          2HG1      ILE   1   2.120  -5.599   9.615
    6   1HG2  ILE   1          1HG2      ILE   1   3.819  -4.454   6.747
    7   2HG2  ILE   1          2HG2      ILE   1   4.485  -3.338   7.962
    8   3HG2  ILE   1          3HG2      ILE   1   5.510  -4.621   7.277
    9   1HD1  ILE   1          1HD1      ILE   1   4.308  -4.056  10.839
   10   2HD1  ILE   1          2HD1      ILE   1   2.747  -3.203  10.913
   11   3HD1  ILE   1          3HD1      ILE   1   2.904  -4.835  11.607
   12    H    ASN   2           H        ASN   2   1.497  -5.631   7.703
   13    HA   ASN   2           HA       ASN   2   1.636  -6.281   4.880
   14   1HB   ASN   2          1HB       ASN   2   0.230  -8.050   5.833
   15   2HB   ASN   2          2HB       ASN   2  -0.683  -6.892   6.779
   16   1HD2  ASN   2          1HD2      ASN   2   0.355  -7.316   3.393
   17   2HD2  ASN   2          2HD2      ASN   2  -1.175  -6.984   2.652
   18    H    TYR   3           H        TYR   3   1.592  -4.198   3.997
   19    HA   TYR   3           HA       TYR   3  -0.533  -2.415   4.945
   20   1HB   TYR   3          1HB       TYR   3   2.475  -1.967   4.510
   21   2HB   TYR   3          2HB       TYR   3   1.362  -0.613   4.485
   22    HD1  TYR   3           1HD      TYR   3   3.756  -1.633   6.444
   23    HD2  TYR   3           2HD      TYR   3  -0.506  -1.356   6.689
   24    HE1  TYR   3           1HE      TYR   3   3.905  -1.457   8.976
   25    HE2  TYR   3           2HE      TYR   3  -0.343  -1.181   9.220
   26    HH   TYR   3           HH       TYR   3   0.954  -1.207  10.943
   27    H    TRP   4           H        TRP   4  -0.711  -4.125   2.693
   28    HA   TRP   4           HA       TRP   4   0.220  -3.264   0.306
   29   1HB   TRP   4          1HB       TRP   4  -1.836  -4.951   1.237
   30   2HB   TRP   4          2HB       TRP   4  -2.583  -3.883   0.065
   31    HD1  TRP   4           HD       TRP   4   0.490  -3.872  -1.563
   32    HE1  TRP   4           1HE      TRP   4   0.956  -5.825  -3.275
   33    HE3  TRP   4           3HE      TRP   4  -3.095  -7.003   0.228
   34    HZ2  TRP   4           2HZ      TRP   4  -0.201  -8.403  -3.679
   35    HZ3  TRP   4           3HZ      TRP   4  -3.361  -9.219  -0.882
   36    HH2  TRP   4           HH       TRP   4  -1.986  -9.936  -2.772
   37    H    LEU   5           H        LEU   5  -3.172  -2.412   1.224
   38    HA   LEU   5           HA       LEU   5  -4.329  -0.540   1.045
   39   1HB   LEU   5          1HB       LEU   5  -2.964   0.565   2.550
   40   2HB   LEU   5          2HB       LEU   5  -1.587   0.580   1.467
   41    HG   LEU   5           HG       LEU   5  -2.751   2.799   1.922
   42   1HD1  LEU   5          1HD1      LEU   5  -1.461   3.333   0.196
   43   2HD1  LEU   5          2HD1      LEU   5  -1.641   1.710  -0.512
   44   3HD1  LEU   5          3HD1      LEU   5  -2.835   2.978  -0.878
   45   1HD2  LEU   5          1HD2      LEU   5  -4.936   2.961   1.592
   46   2HD2  LEU   5          2HD2      LEU   5  -4.670   2.709  -0.150
   47   3HD2  LEU   5          3HD2      LEU   5  -4.993   1.317   0.912
   48    H    ALA   6           H        ALA   6  -2.661  -1.963  -1.293
   49    HA   ALA   6           HA       ALA   6  -2.181  -0.235  -3.326
   50   1HB   ALA   6          1HB       ALA   6  -3.599  -2.549  -4.327
   51   2HB   ALA   6          2HB       ALA   6  -1.855  -2.198  -4.367
   52   3HB   ALA   6          3HB       ALA   6  -2.565  -3.024  -2.959
   53    H    HIS   7           H        HIS   7  -3.525   1.599  -3.397
   54    HA   HIS   7           HA       HIS   7  -6.037   1.117  -4.710
   55   1HB   HIS   7          1HB       HIS   7  -7.298   1.282  -2.885
   56   2HB   HIS   7          2HB       HIS   7  -5.920   1.688  -1.881
   57    HD1  HIS   7           1HD      HIS   7  -8.770   3.233  -3.780
   58    HD2  HIS   7           2HD      HIS   7  -5.509   4.469  -1.450
   59    HE1  HIS   7           1HE      HIS   7  -9.166   5.696  -3.247
   60    HE2  HIS   7           2HE      HIS   7  -7.157   6.386  -1.768
   61    H    ALA   8           H        ALA   8  -7.086   3.476  -5.114
   62    HA   ALA   8           HA       ALA   8  -5.171   4.852  -6.635
   63   1HB   ALA   8          1HB       ALA   8  -7.036   5.757  -7.520
   64   2HB   ALA   8          2HB       ALA   8  -7.959   4.727  -6.400
   65   3HB   ALA   8          3HB       ALA   8  -7.555   6.399  -5.944
   66    H    LYS   9           H        LYS   9  -5.765   7.600  -6.105
   67    HA   LYS   9           HA       LYS   9  -5.379   9.282  -4.673
   68   1HB   LYS   9          1HB       LYS   9  -5.956   7.302  -2.856
   69   2HB   LYS   9          2HB       LYS   9  -4.322   7.737  -2.397
   70   1HG   LYS   9          1HG       LYS   9  -5.112   9.598  -1.378
   71   2HG   LYS   9          2HG       LYS   9  -5.670  10.200  -2.926
   72   1HD   LYS   9          1HD       LYS   9  -7.833   9.081  -2.660
   73   2HD   LYS   9          2HD       LYS   9  -7.280   8.245  -1.223
   74   1HE   LYS   9          1HE       LYS   9  -7.012  11.216  -1.114
   75   2HE   LYS   9          2HE       LYS   9  -8.663  10.634  -1.200
   76   1HZ   LYS   9          1HZ       LYS   9  -6.697   9.614   0.727
   77   2HZ   LYS   9          2HZ       LYS   9  -7.757  10.809   1.063
   78   3HZ   LYS   9          3HZ       LYS   9  -8.301   9.311   0.708
   79    H    ALA  10           H        ALA  10  -3.749   9.785  -6.243
   80    HA   ALA  10           HA       ALA  10  -1.676   9.964  -7.055
   81   1HB   ALA  10          1HB       ALA  10  -1.736  11.550  -5.144
   82   2HB   ALA  10          2HB       ALA  10  -1.074  10.280  -4.086
   83   3HB   ALA  10          3HB       ALA  10  -0.099  10.915  -5.433
   84    H    GLY  11           H        GLY  11  -2.388   7.279  -6.976
   85   1HA   GLY  11          1HA       GLY  11  -1.540   5.197  -6.979
   86   2HA   GLY  11          2HA       GLY  11   0.021   5.960  -7.207
   87    H    TYR  12           H        TYR  12  -2.159   6.304  -4.350
   88    HA   TYR  12           HA       TYR  12  -0.225   6.113  -2.448
   89   1HB   TYR  12          1HB       TYR  12  -2.814   6.609  -2.404
   90   2HB   TYR  12          2HB       TYR  12  -3.037   4.872  -2.322
   91    HD1  TYR  12           1HD      TYR  12  -3.985   4.587  -0.183
   92    HD2  TYR  12           2HD      TYR  12  -0.406   6.893  -0.606
   93    HE1  TYR  12           1HE      TYR  12  -3.737   4.680   2.346
   94    HE2  TYR  12           2HE      TYR  12  -0.170   6.978   1.924
   95    HH   TYR  12           HH       TYR  12  -0.855   5.768   3.835
   96    H    ILE  13           H        ILE  13  -1.522   3.544  -4.462
   97    HA   ILE  13           HA       ILE  13  -1.204   1.345  -2.859
   98    HB   ILE  13           HB       ILE  13  -2.231   1.001  -4.892
   99   1HG1  ILE  13          1HG1      ILE  13  -0.344  -0.685  -4.199
  100   2HG1  ILE  13          2HG1      ILE  13  -1.193  -0.866  -5.722
  101   1HG2  ILE  13          1HG2      ILE  13  -1.792   2.716  -6.318
  102   2HG2  ILE  13          2HG2      ILE  13  -0.041   2.689  -6.000
  103   3HG2  ILE  13          3HG2      ILE  13  -0.770   1.469  -7.071
  104   1HD1  ILE  13          1HD1      ILE  13   0.623  -0.099  -6.996
  105   2HD1  ILE  13          2HD1      ILE  13   1.312   0.825  -5.640
  106   3HD1  ILE  13          3HD1      ILE  13   1.451  -0.949  -5.670
  107    H    VAL  14           H        VAL  14   0.503  -0.017  -2.267
  108    HA   VAL  14           HA       VAL  14   3.168   1.053  -2.892
  109    HB   VAL  14           HB       VAL  14   2.111   1.294  -0.500
  110   1HG1  VAL  14          1HG1      VAL  14   3.450  -1.250   0.173
  111   2HG1  VAL  14          2HG1      VAL  14   1.969  -0.519   0.836
  112   3HG1  VAL  14          3HG1      VAL  14   1.906  -1.426  -0.694
  113   1HG2  VAL  14          1HG2      VAL  14   4.787   0.240  -0.074
  114   2HG2  VAL  14          2HG2      VAL  14   4.711   1.246  -1.540
  115   3HG2  VAL  14          3HG2      VAL  14   4.193   1.915   0.026
  116    H    HIS  15           H        HIS  15   4.458  -1.200  -1.489
  117    HA   HIS  15           HA       HIS  15   3.519  -3.631  -2.477
  118   1HB   HIS  15          1HB       HIS  15   5.279  -2.061  -4.302
  119   2HB   HIS  15          2HB       HIS  15   5.623  -3.772  -4.138
  120    HD1  HIS  15           1HD      HIS  15   4.447  -2.326  -6.746
  121    HD2  HIS  15           2HD      HIS  15   2.268  -4.566  -3.948
  122    HE1  HIS  15           1HE      HIS  15   2.355  -3.142  -7.958
  123    HE2  HIS  15           2HE      HIS  15   1.083  -4.558  -6.204
  124    H    TRP  16           H        TRP  16   4.257  -3.025   0.010
  125    HA   TRP  16           HA       TRP  16   6.974  -3.142   0.609
  126   1HB   TRP  16          1HB       TRP  16   4.734  -4.198   2.332
  127   2HB   TRP  16          2HB       TRP  16   6.298  -3.597   2.847
  128    HD1  TRP  16           HD       TRP  16   2.820  -2.437   2.553
  129    HE1  TRP  16           1HE      TRP  16   2.549   0.183   2.716
  130    HE3  TRP  16           3HE      TRP  16   7.743  -1.359   1.876
  131    HZ2  TRP  16           2HZ      TRP  16   4.383   2.363   2.547
  132    HZ3  TRP  16           3HZ      TRP  16   8.419   1.040   1.889
  133    HH2  TRP  16           HH       TRP  16   6.831   2.870   2.209
  134    H    THR  17           H        THR  17   7.086  -5.399   2.443
  135    HA   THR  17           HA       THR  17   6.567  -7.770   0.887
  136    HB   THR  17           HB       THR  17   9.359  -7.929   1.475
  137    HG1  THR  17           1HG      THR  17   9.425  -5.618   1.538
  138   1HG2  THR  17          1HG2      THR  17   8.853  -8.969  -0.550
  139   2HG2  THR  17          2HG2      THR  17   7.617  -7.760  -0.973
  140   3HG2  THR  17          3HG2      THR  17   9.343  -7.384  -1.194
  141    H    ALA  18           H        ALA  18   5.971  -6.387   3.558
  142    HA   ALA  18           HA       ALA  18   5.615  -7.048   5.639
  143   1HB   ALA  18          1HB       ALA  18   5.972  -9.588   4.152
  144   2HB   ALA  18          2HB       ALA  18   6.217  -9.709   5.911
  145   3HB   ALA  18          3HB       ALA  18   4.679  -9.087   5.268
  Start of MODEL    9
    1   1H    ILE   1          H         ILE   1   3.994  -4.422  10.669
    2    HA   ILE   1           HA       ILE   1   3.379  -5.733   8.987
    3    HB   ILE   1           HB       ILE   1   0.604  -4.835   9.741
    4   1HG1  ILE   1          1HG1      ILE   1   1.696  -7.628   9.938
    5   2HG1  ILE   1          2HG1      ILE   1   2.119  -6.444  11.159
    6   1HG2  ILE   1          1HG2      ILE   1   1.422  -6.791   7.577
    7   2HG2  ILE   1          2HG2      ILE   1  -0.229  -6.599   8.216
    8   3HG2  ILE   1          3HG2      ILE   1   0.558  -5.249   7.364
    9   1HD1  ILE   1          1HD1      ILE   1  -0.773  -6.898  10.332
   10   2HD1  ILE   1          2HD1      ILE   1   0.011  -7.876  11.596
   11   3HD1  ILE   1          3HD1      ILE   1  -0.159  -6.117  11.810
   12    H    ASN   2           H        ASN   2   2.621  -5.557   6.639
   13    HA   ASN   2           HA       ASN   2   3.479  -3.028   5.716
   14   1HB   ASN   2          1HB       ASN   2   3.420  -4.034   3.523
   15   2HB   ASN   2          2HB       ASN   2   3.904  -5.321   4.609
   16   1HD2  ASN   2          1HD2      ASN   2   1.863  -4.447   2.161
   17   2HD2  ASN   2          2HD2      ASN   2   0.639  -5.665   2.300
   18    H    TYR   3           H        TYR   3   2.162  -1.320   4.972
   19    HA   TYR   3           HA       TYR   3  -0.723  -1.760   5.161
   20   1HB   TYR   3          1HB       TYR   3   0.580   0.917   4.636
   21   2HB   TYR   3          2HB       TYR   3  -0.722   0.543   5.747
   22    HD1  TYR   3           1HD      TYR   3  -0.176  -0.540   7.972
   23    HD2  TYR   3           2HD      TYR   3   2.844   1.021   5.374
   24    HE1  TYR   3           1HE      TYR   3   1.471  -0.486   9.908
   25    HE2  TYR   3           2HE      TYR   3   4.481   1.071   7.319
   26    HH   TYR   3           HH       TYR   3   3.719   1.105  10.313
   27    H    TRP   4           H        TRP   4  -0.008  -3.028   2.943
   28    HA   TRP   4           HA       TRP   4   0.601  -1.771   0.644
   29   1HB   TRP   4          1HB       TRP   4  -0.044  -4.230   1.162
   30   2HB   TRP   4          2HB       TRP   4  -1.668  -3.738   0.724
   31    HD1  TRP   4           HD       TRP   4   0.307  -1.722  -1.532
   32    HE1  TRP   4           1HE      TRP   4   0.701  -2.781  -3.917
   33    HE3  TRP   4           3HE      TRP   4  -1.023  -6.453  -0.229
   34    HZ2  TRP   4           2HZ      TRP   4   0.418  -5.420  -4.967
   35    HZ3  TRP   4           3HZ      TRP   4  -0.936  -8.212  -1.993
   36    HH2  TRP   4           HH       TRP   4  -0.247  -7.757  -4.294
   37    H    LEU   5           H        LEU   5  -2.877  -2.454   1.420
   38    HA   LEU   5           HA       LEU   5  -4.717  -1.279   1.099
   39   1HB   LEU   5          1HB       LEU   5  -4.045   0.258   2.699
   40   2HB   LEU   5          2HB       LEU   5  -2.764   0.911   1.697
   41    HG   LEU   5           HG       LEU   5  -4.829   2.363   2.105
   42   1HD1  LEU   5          1HD1      LEU   5  -3.164   2.018  -0.212
   43   2HD1  LEU   5          2HD1      LEU   5  -4.781   2.570  -0.711
   44   3HD1  LEU   5          3HD1      LEU   5  -3.848   3.508   0.480
   45   1HD2  LEU   5          1HD2      LEU   5  -6.102   0.084   0.918
   46   2HD2  LEU   5          2HD2      LEU   5  -6.831   1.559   1.596
   47   3HD2  LEU   5          3HD2      LEU   5  -6.357   1.509  -0.119
   48    H    ALA   6           H        ALA   6  -2.481  -1.808  -1.115
   49    HA   ALA   6           HA       ALA   6  -2.504  -0.059  -3.122
   50   1HB   ALA   6          1HB       ALA   6  -2.599  -3.036  -2.935
   51   2HB   ALA   6          2HB       ALA   6  -2.903  -2.329  -4.540
   52   3HB   ALA   6          3HB       ALA   6  -1.382  -1.975  -3.685
   53    H    HIS   7           H        HIS   7  -4.163   1.300  -3.657
   54    HA   HIS   7           HA       HIS   7  -6.486   0.082  -4.819
   55   1HB   HIS   7          1HB       HIS   7  -7.957   0.414  -3.192
   56   2HB   HIS   7          2HB       HIS   7  -6.620   0.785  -2.122
   57    HD1  HIS   7           1HD      HIS   7  -9.414   2.384  -4.047
   58    HD2  HIS   7           2HD      HIS   7  -6.205   3.562  -1.615
   59    HE1  HIS   7           1HE      HIS   7  -9.824   4.832  -3.458
   60    HE2  HIS   7           2HE      HIS   7  -7.850   5.484  -1.918
   61    H    ALA   8           H        ALA   8  -5.296   3.263  -3.507
   62    HA   ALA   8           HA       ALA   8  -4.735   4.327  -6.019
   63   1HB   ALA   8          1HB       ALA   8  -6.688   5.973  -6.094
   64   2HB   ALA   8          2HB       ALA   8  -7.072   4.291  -6.532
   65   3HB   ALA   8          3HB       ALA   8  -7.507   4.912  -4.922
   66    H    LYS   9           H        LYS   9  -6.626   6.022  -3.471
   67    HA   LYS   9           HA       LYS   9  -6.030   7.845  -2.315
   68   1HB   LYS   9          1HB       LYS   9  -5.235   5.562  -1.112
   69   2HB   LYS   9          2HB       LYS   9  -3.693   6.389  -1.190
   70   1HG   LYS   9          1HG       LYS   9  -6.237   7.675  -0.095
   71   2HG   LYS   9          2HG       LYS   9  -5.058   6.858   0.913
   72   1HD   LYS   9          1HD       LYS   9  -4.168   8.977   1.079
   73   2HD   LYS   9          2HD       LYS   9  -3.365   8.514  -0.408
   74   1HE   LYS   9          1HE       LYS   9  -4.393  10.719  -0.711
   75   2HE   LYS   9          2HE       LYS   9  -5.222   9.560  -1.731
   76   1HZ   LYS   9          1HZ       LYS   9  -6.559   9.455   0.618
   77   2HZ   LYS   9          2HZ       LYS   9  -6.228  11.046   0.454
   78   3HZ   LYS   9          3HZ       LYS   9  -7.042  10.256  -0.721
   79    H    ALA  10           H        ALA  10  -5.172   8.211  -4.908
   80    HA   ALA  10           HA       ALA  10  -3.915   9.793  -5.902
   81   1HB   ALA  10          1HB       ALA  10  -2.344  11.075  -4.755
   82   2HB   ALA  10          2HB       ALA  10  -3.371  10.501  -3.420
   83   3HB   ALA  10          3HB       ALA  10  -1.810   9.709  -3.746
   84    H    GLY  11           H        GLY  11  -2.137   7.173  -4.149
   85   1HA   GLY  11          1HA       GLY  11  -1.435   5.728  -6.388
   86   2HA   GLY  11          2HA       GLY  11  -0.140   6.887  -6.164
   87    H    TYR  12           H        TYR  12  -2.153   5.456  -3.543
   88    HA   TYR  12           HA       TYR  12   0.062   4.838  -1.962
   89   1HB   TYR  12          1HB       TYR  12  -2.754   4.916  -1.850
   90   2HB   TYR  12          2HB       TYR  12  -2.443   3.195  -1.731
   91    HD1  TYR  12           1HD      TYR  12  -1.266   2.256   0.214
   92    HD2  TYR  12           2HD      TYR  12  -2.109   6.442  -0.058
   93    HE1  TYR  12           1HE      TYR  12  -0.783   2.522   2.696
   94    HE2  TYR  12           2HE      TYR  12  -1.623   6.694   2.425
   95    HH   TYR  12           HH       TYR  12   0.056   4.679   4.144
   96    H    ILE  13           H        ILE  13  -1.227   3.243  -4.756
   97    HA   ILE  13           HA       ILE  13  -0.858   0.588  -4.186
   98    HB   ILE  13           HB       ILE  13  -1.899   1.405  -6.201
   99   1HG1  ILE  13          1HG1      ILE  13  -0.951  -0.874  -6.163
  100   2HG1  ILE  13          2HG1      ILE  13  -0.992  -0.181  -7.772
  101   1HG2  ILE  13          1HG2      ILE  13  -1.020   3.090  -7.342
  102   2HG2  ILE  13          2HG2      ILE  13   0.511   2.957  -6.445
  103   3HG2  ILE  13          3HG2      ILE  13   0.257   1.993  -7.920
  104   1HD1  ILE  13          1HD1      ILE  13   1.375  -0.757  -6.009
  105   2HD1  ILE  13          2HD1      ILE  13   1.181  -1.000  -7.761
  106   3HD1  ILE  13          3HD1      ILE  13   1.482   0.632  -7.118
  107    H    VAL  14           H        VAL  14   0.857  -0.210  -3.063
  108    HA   VAL  14           HA       VAL  14   3.509   0.498  -4.116
  109    HB   VAL  14           HB       VAL  14   2.656   1.307  -1.741
  110   1HG1  VAL  14          1HG1      VAL  14   4.046  -1.104  -0.715
  111   2HG1  VAL  14          2HG1      VAL  14   2.699  -0.168  -0.022
  112   3HG1  VAL  14          3HG1      VAL  14   2.387  -1.359  -1.308
  113   1HG2  VAL  14          1HG2      VAL  14   4.820   1.859  -1.355
  114   2HG2  VAL  14          2HG2      VAL  14   5.401   0.192  -1.580
  115   3HG2  VAL  14          3HG2      VAL  14   5.056   1.214  -2.997
  116    H    HIS  15           H        HIS  15   4.855  -1.460  -2.430
  117    HA   HIS  15           HA       HIS  15   3.630  -3.982  -2.900
  118   1HB   HIS  15          1HB       HIS  15   5.874  -3.060  -4.701
  119   2HB   HIS  15          2HB       HIS  15   5.565  -4.758  -4.397
  120    HD1  HIS  15           1HD      HIS  15   5.046  -2.663  -7.031
  121    HD2  HIS  15           2HD      HIS  15   2.329  -4.893  -4.741
  122    HE1  HIS  15           1HE      HIS  15   2.969  -2.967  -8.482
  123    HE2  HIS  15           2HE      HIS  15   1.357  -4.391  -7.042
  124    H    TRP  16           H        TRP  16   4.197  -3.154  -0.494
  125    HA   TRP  16           HA       TRP  16   6.942  -3.557   0.224
  126   1HB   TRP  16          1HB       TRP  16   4.517  -3.335   2.012
  127   2HB   TRP  16          2HB       TRP  16   6.197  -3.151   2.478
  128    HD1  TRP  16           HD       TRP  16   3.415  -0.975   1.994
  129    HE1  TRP  16           1HE      TRP  16   4.002   1.486   1.243
  130    HE3  TRP  16           3HE      TRP  16   8.152  -2.011   0.465
  131    HZ2  TRP  16           2HZ      TRP  16   6.329   2.695   0.119
  132    HZ3  TRP  16           3HZ      TRP  16   9.515  -0.134  -0.447
  133    HH2  TRP  16           HH       TRP  16   8.675   2.154  -0.632
  134    H    THR  17           H        THR  17   6.474  -5.073   2.672
  135    HA   THR  17           HA       THR  17   5.288  -7.579   1.884
  136    HB   THR  17           HB       THR  17   7.562  -8.755   2.302
  137    HG1  THR  17           1HG      THR  17   9.327  -7.320   2.328
  138   1HG2  THR  17          1HG2      THR  17   8.387  -8.399   0.031
  139   2HG2  THR  17          2HG2      THR  17   6.610  -8.352  -0.046
  140   3HG2  THR  17          3HG2      THR  17   7.543  -6.836  -0.082
  141    H    ALA  18           H        ALA  18   3.929  -7.525   3.628
  142    HA   ALA  18           HA       ALA  18   3.305  -7.359   5.774
  143   1HB   ALA  18          1HB       ALA  18   5.371  -9.019   6.909
  144   2HB   ALA  18          2HB       ALA  18   3.698  -9.452   6.484
  145   3HB   ALA  18          3HB       ALA  18   4.991  -9.601   5.270
  Start of MODEL   10
    1   1H    ILE   1          H         ILE   1   1.793  -2.773  11.204
    2    HA   ILE   1           HA       ILE   1   2.838  -2.465   9.002
    3    HB   ILE   1           HB       ILE   1   2.640  -5.397   9.606
    4   1HG1  ILE   1          1HG1      ILE   1   4.528  -4.744  11.339
    5   2HG1  ILE   1          2HG1      ILE   1   3.667  -3.219  11.393
    6   1HG2  ILE   1          1HG2      ILE   1   4.253  -5.328   8.052
    7   2HG2  ILE   1          2HG2      ILE   1   4.518  -3.580   8.254
    8   3HG2  ILE   1          3HG2      ILE   1   5.280  -4.732   9.377
    9   1HD1  ILE   1          1HD1      ILE   1   1.718  -5.351  11.481
   10   2HD1  ILE   1          2HD1      ILE   1   2.978  -5.673  12.697
   11   3HD1  ILE   1          3HD1      ILE   1   2.086  -4.133  12.726
   12    H    ASN   2           H        ASN   2   3.083  -4.073   6.915
   13    HA   ASN   2           HA       ASN   2   2.224  -4.682   5.021
   14   1HB   ASN   2          1HB       ASN   2   1.030  -6.472   6.182
   15   2HB   ASN   2          2HB       ASN   2  -0.201  -5.364   6.755
   16   1HD2  ASN   2          1HD2      ASN   2   1.318  -5.606   3.559
   17   2HD2  ASN   2          2HD2      ASN   2  -0.114  -5.966   2.653
   18    H    TYR   3           H        TYR   3   2.321  -2.159   4.775
   19    HA   TYR   3           HA       TYR   3  -0.308  -0.911   4.723
   20   1HB   TYR   3          1HB       TYR   3   2.353   0.284   3.825
   21   2HB   TYR   3          2HB       TYR   3   1.033   1.099   4.639
   22    HD1  TYR   3           1HD      TYR   3   0.525   0.082   7.105
   23    HD2  TYR   3           2HD      TYR   3   4.278  -0.094   5.058
   24    HE1  TYR   3           1HE      TYR   3   1.732  -0.194   9.325
   25    HE2  TYR   3           2HE      TYR   3   5.472  -0.369   7.285
   26    HH   TYR   3           HH       TYR   3   5.241  -0.699   9.419
   27    H    TRP   4           H        TRP   4   0.443  -3.108   2.798
   28    HA   TRP   4           HA       TRP   4   1.240  -2.368   0.352
   29   1HB   TRP   4          1HB       TRP   4   0.565  -4.615   0.887
   30   2HB   TRP   4          2HB       TRP   4  -1.105  -4.124   1.087
   31    HD1  TRP   4           HD       TRP   4  -2.045  -2.838  -1.445
   32    HE1  TRP   4           1HE      TRP   4  -1.918  -3.835  -3.885
   33    HE3  TRP   4           3HE      TRP   4   1.713  -6.123  -0.473
   34    HZ2  TRP   4           2HZ      TRP   4  -0.297  -5.841  -5.107
   35    HZ3  TRP   4           3HZ      TRP   4   2.509  -7.564  -2.345
   36    HH2  TRP   4           HH       TRP   4   1.567  -7.461  -4.598
   37    H    LEU   5           H        LEU   5  -2.325  -2.503   0.974
   38    HA   LEU   5           HA       LEU   5  -3.932  -1.353  -0.102
   39   1HB   LEU   5          1HB       LEU   5  -3.655  -0.250   2.024
   40   2HB   LEU   5          2HB       LEU   5  -2.393   0.781   1.380
   41    HG   LEU   5           HG       LEU   5  -4.653   1.852   1.677
   42   1HD1  LEU   5          1HD1      LEU   5  -3.920   2.026  -1.222
   43   2HD1  LEU   5          2HD1      LEU   5  -4.309   3.316  -0.058
   44   3HD1  LEU   5          3HD1      LEU   5  -2.728   2.501   0.012
   45   1HD2  LEU   5          1HD2      LEU   5  -6.513   1.199   0.588
   46   2HD2  LEU   5          2HD2      LEU   5  -5.624   0.729  -0.880
   47   3HD2  LEU   5          3HD2      LEU   5  -5.674  -0.370   0.519
   48    H    ALA   6           H        ALA   6  -3.393  -1.772  -2.314
   49    HA   ALA   6           HA       ALA   6  -2.052   0.505  -3.605
   50   1HB   ALA   6          1HB       ALA   6  -2.278  -2.225  -4.861
   51   2HB   ALA   6          2HB       ALA   6  -1.049  -0.962  -5.110
   52   3HB   ALA   6          3HB       ALA   6  -1.039  -1.933  -3.618
   53    H    HIS   7           H        HIS   7  -3.811   1.813  -4.083
   54    HA   HIS   7           HA       HIS   7  -5.618   0.705  -6.049
   55   1HB   HIS   7          1HB       HIS   7  -7.504   0.760  -4.856
   56   2HB   HIS   7          2HB       HIS   7  -6.456   0.723  -3.451
   57    HD1  HIS   7           1HD      HIS   7  -8.832   2.913  -5.311
   58    HD2  HIS   7           2HD      HIS   7  -6.108   3.265  -2.140
   59    HE1  HIS   7           1HE      HIS   7  -9.369   5.120  -4.150
   60    HE2  HIS   7           2HE      HIS   7  -7.699   5.255  -2.177
   61    H    ALA   8           H        ALA   8  -4.999   3.630  -3.975
   62    HA   ALA   8           HA       ALA   8  -4.065   5.185  -6.084
   63   1HB   ALA   8          1HB       ALA   8  -6.139   5.298  -7.143
   64   2HB   ALA   8          2HB       ALA   8  -7.042   5.234  -5.611
   65   3HB   ALA   8          3HB       ALA   8  -6.201   6.729  -6.087
   66    H    LYS   9           H        LYS   9  -6.558   6.306  -3.755
   67    HA   LYS   9           HA       LYS   9  -6.256   8.044  -2.314
   68   1HB   LYS   9          1HB       LYS   9  -6.582   6.182  -0.903
   69   2HB   LYS   9          2HB       LYS   9  -4.958   5.576  -1.161
   70   1HG   LYS   9          1HG       LYS   9  -4.057   6.944   0.438
   71   2HG   LYS   9          2HG       LYS   9  -4.988   8.333  -0.086
   72   1HD   LYS   9          1HD       LYS   9  -5.783   7.829   2.119
   73   2HD   LYS   9          2HD       LYS   9  -7.033   7.258   1.033
   74   1HE   LYS   9          1HE       LYS   9  -6.689   5.053   1.581
   75   2HE   LYS   9          2HE       LYS   9  -4.945   5.224   1.604
   76   1HZ   LYS   9          1HZ       LYS   9  -5.218   6.392   3.742
   77   2HZ   LYS   9          2HZ       LYS   9  -6.808   6.019   3.729
   78   3HZ   LYS   9          3HZ       LYS   9  -5.691   4.830   3.790
   79    H    ALA  10           H        ALA  10  -4.652   8.818  -4.297
   80    HA   ALA  10           HA       ALA  10  -3.025  10.357  -4.518
   81   1HB   ALA  10          1HB       ALA  10  -1.718  11.100  -2.727
   82   2HB   ALA  10          2HB       ALA  10  -3.164  10.474  -1.900
   83   3HB   ALA  10          3HB       ALA  10  -1.678   9.496  -1.957
   84    H    GLY  11           H        GLY  11  -3.109   7.752  -5.632
   85   1HA   GLY  11          1HA       GLY  11  -1.817   6.257  -6.701
   86   2HA   GLY  11          2HA       GLY  11  -0.550   7.466  -6.650
   87    H    TYR  12           H        TYR  12  -2.196   5.659  -3.965
   88    HA   TYR  12           HA       TYR  12   0.302   5.185  -2.685
   89   1HB   TYR  12          1HB       TYR  12  -2.326   5.397  -1.955
   90   2HB   TYR  12          2HB       TYR  12  -2.285   3.659  -2.175
   91    HD1  TYR  12           1HD      TYR  12  -0.438   2.352  -0.876
   92    HD2  TYR  12           2HD      TYR  12  -1.647   6.343   0.081
   93    HE1  TYR  12           1HE      TYR  12   0.511   2.086   1.468
   94    HE2  TYR  12           2HE      TYR  12  -0.694   6.063   2.421
   95    HH   TYR  12           HH       TYR  12   1.033   4.700   3.507
   96    H    ILE  13           H        ILE  13  -1.140   3.752  -5.385
   97    HA   ILE  13           HA       ILE  13  -1.078   1.090  -5.094
   98    HB   ILE  13           HB       ILE  13  -1.674   2.144  -7.147
   99   1HG1  ILE  13          1HG1      ILE  13  -0.872  -0.198  -7.222
  100   2HG1  ILE  13          2HG1      ILE  13  -0.640   0.661  -8.732
  101   1HG2  ILE  13          1HG2      ILE  13   0.218   2.985  -8.674
  102   2HG2  ILE  13          2HG2      ILE  13  -0.321   4.036  -7.342
  103   3HG2  ILE  13          3HG2      ILE  13   1.184   3.099  -7.183
  104   1HD1  ILE  13          1HD1      ILE  13   1.751   1.223  -7.587
  105   2HD1  ILE  13          2HD1      ILE  13   1.399  -0.317  -6.767
  106   3HD1  ILE  13          3HD1      ILE  13   1.472  -0.252  -8.544
  107    H    VAL  14           H        VAL  14   0.304  -0.183  -3.983
  108    HA   VAL  14           HA       VAL  14   3.117  -0.004  -4.681
  109    HB   VAL  14           HB       VAL  14   2.416   1.420  -2.581
  110   1HG1  VAL  14          1HG1      VAL  14   1.432  -0.949  -1.696
  111   2HG1  VAL  14          2HG1      VAL  14   3.068  -1.000  -0.996
  112   3HG1  VAL  14          3HG1      VAL  14   1.983   0.362  -0.626
  113   1HG2  VAL  14          1HG2      VAL  14   4.629   1.519  -2.177
  114   2HG2  VAL  14          2HG2      VAL  14   4.751  -0.230  -1.870
  115   3HG2  VAL  14          3HG2      VAL  14   4.772   0.384  -3.541
  116    H    HIS  15           H        HIS  15   3.895  -1.845  -2.541
  117    HA   HIS  15           HA       HIS  15   2.169  -4.080  -2.610
  118   1HB   HIS  15          1HB       HIS  15   4.643  -4.849  -4.008
  119   2HB   HIS  15          2HB       HIS  15   2.993  -5.388  -4.248
  120    HD1  HIS  15           1HD      HIS  15   1.930  -4.636  -6.381
  121    HD2  HIS  15           2HD      HIS  15   5.035  -2.083  -5.179
  122    HE1  HIS  15           1HE      HIS  15   2.190  -2.903  -8.236
  123    HE2  HIS  15           2HE      HIS  15   4.075  -1.331  -7.416
  124    H    TRP  16           H        TRP  16   3.022  -2.863  -0.419
  125    HA   TRP  16           HA       TRP  16   5.597  -3.691   0.449
  126   1HB   TRP  16          1HB       TRP  16   3.243  -2.744   2.091
  127   2HB   TRP  16          2HB       TRP  16   4.918  -2.814   2.599
  128    HD1  TRP  16           HD       TRP  16   2.619  -0.256   1.637
  129    HE1  TRP  16           1HE      TRP  16   3.694   1.895   0.552
  130    HE3  TRP  16           3HE      TRP  16   7.102  -2.399   0.558
  131    HZ2  TRP  16           2HZ      TRP  16   6.241   2.447  -0.611
  132    HZ3  TRP  16           3HZ      TRP  16   8.828  -0.984  -0.552
  133    HH2  TRP  16           HH       TRP  16   8.455   1.360  -1.134
  134    H    THR  17           H        THR  17   4.900  -4.685   3.092
  135    HA   THR  17           HA       THR  17   3.236  -6.994   2.777
  136    HB   THR  17           HB       THR  17   5.296  -8.533   3.257
  137    HG1  THR  17           1HG      THR  17   7.280  -7.494   2.535
  138   1HG2  THR  17          1HG2      THR  17   4.071  -8.101   0.914
  139   2HG2  THR  17          2HG2      THR  17   5.576  -7.228   0.538
  140   3HG2  THR  17          3HG2      THR  17   5.632  -8.956   0.962
  141    H    ALA  18           H        ALA  18   3.845  -8.533   4.851
  142    HA   ALA  18           HA       ALA  18   3.307  -6.774   7.049
  143   1HB   ALA  18          1HB       ALA  18   2.056  -8.790   6.984
  144   2HB   ALA  18          2HB       ALA  18   3.503  -9.776   6.663
  145   3HB   ALA  18          3HB       ALA  18   3.262  -9.045   8.268