*HEADER    LIGASE                                  01-MAR-07   2JO9              
*TITLE     MOUSE ITCH 3RD WW DOMAIN COMPLEX WITH THE EPSTEIN-BARR                
*TITLE    2 VIRUS LATENT MEMBRANE PROTEIN 2A DERIVED PEPTIDE EEPPPPYED           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ITCHY E3 UBIQUITIN PROTEIN LIGASE;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW 3 DOMAIN, SEQUENCE DATABASE RESIDUES 399-432;           
*COMPND   5 EC: 6.3.2.-;                                                         
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: LATENT MEMBRANE PROTEIN 2;                                 
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: SEQUENCE DATABASE RESIDUES 54-62;                          
*COMPND  11 SYNONYM: TERMINAL PROTEIN;                                           
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: ITCH;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PETM30;                                    
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHEIZED. THE            
*SOURCE  13 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN EPSTEIN-BARR           
*SOURCE  14 VIRUS.                                                               
*KEYWDS    ITCH, WW, COMPLEX, EPSTEIN-BARR VIRUS, LMP2A                          
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    M.J.MACIAS, A.Z.SHAW, P.MARTIN-MALPARTIDA, B.MORALES,                 
*AUTHOR   2 L.RUIZ, X.RAMIREZ-ESPAIN, F.YRAOLA, M.ROYO                           
*REVDAT   1   17-APR-07 2JO9    0                                       




# Number of dimensions 3
#INAME 1 1H
#INAME 2 13C
#INAME 3 1H
   1   3.603  40.956   3.606 2 U          1.792e+06  0.00e+00 m   0    4    3    4 0
   3   4.083  50.369   4.084 2 U          1.792e+06  0.00e+00 m   0   11   10   11 0
   4   1.098  50.369   4.083 2 U         -2.098e+05  0.00e+00 m   0   12   10   11 0
   6   4.083  16.773   1.098 2 U         -2.643e+05  0.00e+00 m   0   11   13   12 0
   7   1.098  16.773   1.098 2 U          1.792e+06  0.00e+00 m   0   12   13   12 0
   9   4.374  52.827   4.370 2 U          1.792e+06  0.00e+00 m   0   21   20   21 0
  10   1.859  52.827   4.374 2 U         -4.185e+05  0.00e+00 m   0   23   20   21 0
  11   2.391  52.827   4.374 2 U         -1.730e+05  0.00e+00 m   0   27   20   21 0
  12   2.310  52.827   4.374 2 U         -1.236e+05  0.00e+00 m   0   28   20   21 0
  14   4.374  31.800   1.759 2 U         -1.012e+05  0.00e+00 m   0   21   22   24 0
  15   1.859  31.800   1.759 2 U          8.864e+03  0.00e+00 m   0   23   22   24 0
  16   2.391  31.800   1.759 2 U         -1.202e+05  0.00e+00 m   0   27   22   24 0
  17   2.310  31.800   1.759 2 U         -6.444e+04  0.00e+00 m   0   28   22   24 0
  19   4.374  29.900   2.391 2 U         -6.108e+04  0.00e+00 m   0   21   26   27 0
  20   1.759  29.900   2.391 2 U         -1.635e+05  0.00e+00 m   0   24   26   27 0
  21   2.391  29.900   2.391 2 U          1.792e+06  0.00e+00 m   0   27   26   27 0
  22   2.310  29.900   2.391 2 U          2.007e+06  0.00e+00 m   0   28   26   27 0
  24   4.374  29.900   2.310 2 U         -6.581e+04  0.00e+00 m   0   21   26   28 0
  25   1.859  29.900   2.310 2 U         -2.269e+05  0.00e+00 m   0   23   26   28 0
  26   2.391  29.900   2.310 2 U         -2.920e+06  0.00e+00 m   0   27   26   28 0
  27   2.310  29.900   2.310 2 U          7.468e+04  0.00e+00 m   0   28   26   28 0
  32   4.284  60.221   4.284 2 U          1.437e+06  0.00e+00 m   0   46   45   46 0
  34   1.745  60.221   4.284 2 U         -3.130e+05  0.00e+00 m   0   52   45   46 0
  35   3.390  60.221   4.284 2 U         -1.112e+05  0.00e+00 m   0   55   45   46 0
  36   4.284  29.786   2.083 2 U         -3.476e+05  0.00e+00 m   0   46   47   48 0
  38   1.745  29.786   2.083 2 U         -1.316e+06  0.00e+00 m   0   52   47   48 0
  39   3.390  29.786   2.083 2 U         -1.382e+05  0.00e+00 m   0   55   47   48 0
  40   4.284  24.686   1.745 2 U         -3.849e+04  0.00e+00 m   0   46   51   52 0
  41   2.083  24.686   1.745 2 U         -1.946e+05  0.00e+00 m   0   48   51   52 0
  42   1.745  24.686   1.745 2 U          8.151e+05  0.00e+00 m   0   52   51   52 0
  43   3.390  24.686   1.745 2 U         -4.412e+05  0.00e+00 m   0   55   51   52 0
  44   4.165  62.318   4.165 2 U          8.562e+05  0.00e+00 m   0  100   99  100 0
  46   3.973  42.894   3.973 2 U         -1.885e+06  0.00e+00 m   0  116  115  116 0
  47   3.293  42.894   3.973 2 U         -1.269e+06  0.00e+00 m   0  117  115  116 0
  49   3.973  42.894   3.293 2 U         -1.095e+06  0.00e+00 m   0  116  115  117 0
  50   3.293  42.894   3.294 2 U         -2.048e+06  0.00e+00 m   0  117  115  117 0
  52   5.159  55.109   5.161 2 U          1.646e+06  0.00e+00 m   0  123  122  123 0
  53   3.103  55.109   5.159 2 U         -1.854e+05  0.00e+00 m   0  125  122  123 0
  54   2.864  55.109   5.159 2 U         -3.090e+05  0.00e+00 m   0  126  122  123 0
  56   5.159  29.887   3.103 2 U         -8.034e+04  0.00e+00 m   0  123  124  125 0
  57   3.103  29.887   3.103 2 U         -1.288e+06  0.00e+00 m   0  125  124  125 0
  58   2.864  29.887   3.103 2 U         -7.630e+05  0.00e+00 m   0  126  124  125 0
  60   5.159  29.887   2.864 2 U          3.201e+03  0.00e+00 m   0  123  124  126 0
  61   3.103  29.887   2.864 2 U         -4.390e+04  0.00e+00 m   0  125  124  126 0
  62   2.864  29.887   2.864 2 U          3.949e+04  0.00e+00 m   0  126  124  126 0
  64   4.536  52.924   4.536 2 U         -2.607e+05  0.00e+00 m   0  147  146  147 0
  65   2.158  52.924   4.536 2 U         -1.904e+04  0.00e+00 m   0  153  146  147 0
  74   2.011  33.831   2.011 2 U          2.485e+06  0.00e+00 m   0  154  152  154 0
  76   4.258  53.667   4.260 2 U          1.240e+05  0.00e+00 m   0  162  161  162 0
  77   1.527  53.667   4.258 2 U         -3.058e+05  0.00e+00 m   0  164  161  162 0
  78   0.759  53.667   4.258 2 U         -3.898e+05  0.00e+00 m   0  168  161  162 0
  82   4.258  32.003   1.361 2 U         -1.349e+05  0.00e+00 m   0  162  163  165 0
  83   1.361  32.003   1.361 2 U         -1.304e+06  0.00e+00 m   0  165  163  165 0
  84   0.759  32.003   1.527 2 U         -2.162e+05  0.00e+00 m   0  168  163  164 0
  85   1.527  32.003   1.361 2 U         -9.293e+05  0.00e+00 m   0  164  163  165 0
  88   4.258  22.136   0.689 2 U         -1.309e+05  0.00e+00 m   0  162  167  169 0
  92   2.667  22.136   0.689 2 U         -8.831e+04  0.00e+00 m   0  176  167  169 0
 106   4.235  51.937   4.232 2 U          2.532e+04  0.00e+00 m   0  187  186  187 0
 107   1.148  51.937   4.235 2 U         -6.828e+05  0.00e+00 m   0  189  186  187 0
 108  -0.215  51.937   4.235 2 U         -1.576e+05  0.00e+00 m   0  190  186  187 0
 110   2.850  51.937   4.235 2 U         -1.982e+05  0.00e+00 m   0  197  186  187 0
 112   4.235  31.867   1.148 2 U         -1.995e+05  0.00e+00 m   0  187  188  189 0
 113   1.148  31.867   1.148 2 U         -1.824e+06  0.00e+00 m   0  189  188  189 0
 115  -0.215  31.867   1.148 2 U         -6.787e+05  0.00e+00 m   0  190  188  189 0
 116   2.850  31.867   1.148 2 U         -1.556e+05  0.00e+00 m   0  197  188  189 0
 118   4.235  31.867  -0.215 2 U         -8.754e+04  0.00e+00 m   0  187  188  190 0
 119   1.148  31.867  -0.215 2 U         -8.206e+05  0.00e+00 m   0  189  188  190 0
 120  -0.215  31.867  -0.215 2 U         -1.035e+06  0.00e+00 m   0  190  188  190 0
 122   2.850  31.867  -0.215 2 U         -1.022e+05  0.00e+00 m   0  197  188  190 0
 130   4.235  40.796   2.850 2 U         -9.191e+04  0.00e+00 m   0  187  196  197 0
 132  -0.215  40.796   2.850 2 U         -8.047e+04  0.00e+00 m   0  190  196  197 0
 134   2.757  40.796   2.758 2 U          2.123e+06  0.00e+00 m   0  198  196  198 0
 136   4.906  58.598   4.900 2 U         -1.664e+06  0.00e+00 m   0  213  212  213 0
 137   3.628  58.598   4.906 2 U         -2.651e+05  0.00e+00 m   0  215  212  213 0
 138   0.955  58.598   4.906 2 U         -5.585e+05  0.00e+00 m   0  216  212  213 0
 140   4.906  68.500   3.628 2 U         -1.946e+05  0.00e+00 m   0  213  214  215 0
 141   3.628  68.500   3.628 2 U          1.734e+05  0.00e+00 m   0  215  214  215 0
 142   0.955  68.500   3.628 2 U         -2.829e+05  0.00e+00 m   0  216  214  215 0
 144   4.906  19.212   0.955 2 U         -5.207e+05  0.00e+00 m   0  213  218  216 0
 145   3.628  19.212   0.955 2 U         -4.748e+05  0.00e+00 m   0  215  218  216 0
 146   0.955  19.212   0.955 2 U          1.792e+06  0.00e+00 m   0  216  218  216 0
 148   4.763  50.012   4.765 2 U          1.024e+06  0.00e+00 m   0  226  225  226 0
 149   3.311  50.012   4.763 2 U         -4.324e+05  0.00e+00 m   0  228  225  226 0
 150   2.661  50.012   4.763 2 U         -4.879e+05  0.00e+00 m   0  229  225  226 0
 152   4.763  39.277   3.311 2 U         -1.733e+05  0.00e+00 m   0  226  227  228 0
 153   3.311  39.277   3.313 2 U         -1.481e+06  0.00e+00 m   0  228  227  228 0
 154   2.661  39.277   3.311 2 U         -1.049e+06  0.00e+00 m   0  229  227  228 0
 156   4.763  39.277   2.661 2 U         -1.440e+05  0.00e+00 m   0  226  227  229 0
 157   3.311  39.277   2.661 2 U         -9.686e+05  0.00e+00 m   0  228  227  229 0
 158   2.661  39.277   2.660 2 U          1.792e+06  0.00e+00 m   0  229  227  229 0
 172   4.763  50.601   4.765 2 U         -1.757e+06  0.00e+00 m   0  247  246  247 0
 174   3.382  43.291   3.382 2 U         -2.170e+06  0.00e+00 m   0  262  260  262 0
 175   4.042  43.291   3.382 2 U         -1.530e+06  0.00e+00 m   0  261  260  262 0
 177   3.382  43.291   4.042 2 U         -1.625e+06  0.00e+00 m   0  262  260  261 0
 178   4.042  43.291   4.042 2 U         -2.394e+06  0.00e+00 m   0  261  260  261 0
 180   4.236  54.327   4.237 2 U         -1.466e+06  0.00e+00 m   0  268  267  268 0
 181   1.886  54.327   4.236 2 U         -3.656e+05  0.00e+00 m   0  270  267  268 0
 182   1.733  54.327   4.236 2 U         -3.455e+05  0.00e+00 m   0  271  267  268 0
 183   1.534  54.330   4.236 2 U         -4.952e+05  0.00e+00 m   0  274  267  268 0
 184   2.545  54.327   4.236 2 U         -7.690e+04  0.00e+00 m   0  278  267  268 0
 186   4.236  28.695   1.733 2 U         -2.075e+05  0.00e+00 m   0  268  269  271 0
 187   1.886  28.695   1.733 2 U         -1.210e+06  0.00e+00 m   0  270  269  271 0
 188   1.733  28.695   1.734 2 U          2.744e+06  0.00e+00 m   0  271  269  271 0
 189   1.534  28.695   1.886 2 U         -4.340e+05  0.00e+00 m   0  274  269  270 0
 190   2.545  28.695   1.733 2 U         -1.205e+05  0.00e+00 m   0  278  269  271 0
 192   4.236  28.695   1.886 2 U         -1.756e+05  0.00e+00 m   0  268  269  270 0
 194   1.886  28.695   1.886 2 U         -2.327e+06  0.00e+00 m   0  270  269  270 0
 195   1.534  28.695   1.733 2 U         -6.787e+05  0.00e+00 m   0  274  269  271 0
 196   2.545  28.695   1.886 2 U         -1.982e+05  0.00e+00 m   0  278  269  270 0
 198   4.236  25.400   1.534 2 U         -1.356e+05  0.00e+00 m   0  268  273  274 0
 199   1.886  25.400   1.534 2 U         -3.784e+05  0.00e+00 m   0  270  273  274 0
 200   1.733  25.400   1.534 2 U         -8.679e+05  0.00e+00 m   0  271  273  274 0
 201   1.534  25.400   1.534 2 U          1.059e+06  0.00e+00 m   0  274  273  274 0
 202   2.545  25.400   1.534 2 U         -3.831e+05  0.00e+00 m   0  278  273  274 0
 206   1.733  41.318   2.545 2 U         -1.127e+05  0.00e+00 m   0  270  277  278 0
 207   1.534  41.318   2.545 2 U         -3.234e+05  0.00e+00 m   0  274  277  278 0
 210   4.504  59.727   4.504 2 U          1.786e+06  0.00e+00 m   0  294  293  294 0
 211   1.712  59.727   4.504 2 U         -1.949e+05  0.00e+00 m   0  296  293  294 0
 212   0.801  59.727   4.504 2 U         -2.720e+05  0.00e+00 m   0  297  293  294 0
 218   4.504  19.997   0.801 2 U         -6.326e+05  0.00e+00 m   0  294  299  297 0
 220   0.801  19.997   0.801 2 U          1.792e+06  0.00e+00 m   0  297  299  297 0
 222   4.619  53.830   4.617 2 U          7.246e+05  0.00e+00 m   0  312  311  312 0
 223   2.580  53.830   4.619 2 U         -5.636e+05  0.00e+00 m   0  314  311  312 0
 224   2.147  53.830   4.619 2 U         -6.246e+05  0.00e+00 m   0  315  311  312 0
 226   4.619  37.317   2.580 2 U         -2.407e+05  0.00e+00 m   0  312  313  314 0
 227   2.580  37.317   2.579 2 U          2.839e+06  0.00e+00 m   0  314  313  314 0
 228   2.147  37.317   2.580 2 U         -8.289e+05  0.00e+00 m   0  315  313  314 0
 230   4.619  37.317   2.147 2 U         -2.574e+05  0.00e+00 m   0  312  313  315 0
 231   2.580  37.317   2.147 2 U         -7.394e+05  0.00e+00 m   0  314  313  315 0
 232   2.147  37.317   2.149 2 U         -1.022e+06  0.00e+00 m   0  315  313  315 0
 234   5.280  54.596   5.281 2 U          1.530e+06  0.00e+00 m   0  335  334  335 0
 235   2.906  54.596   5.280 2 U         -3.138e+05  0.00e+00 m   0  337  334  335 0
 236   2.607  54.596   5.280 2 U         -1.122e+05  0.00e+00 m   0  338  334  335 0
 238   5.280  40.780   2.906 2 U         -1.887e+05  0.00e+00 m   0  335  336  337 0
 239   2.906  40.780   2.909 2 U         -3.613e+05  0.00e+00 m   0  337  336  337 0
 240   2.607  40.780   2.906 2 U         -5.766e+05  0.00e+00 m   0  338  336  337 0
 242   5.280  40.780   2.607 2 U         -8.895e+04  0.00e+00 m   0  335  336  338 0
 243   2.906  40.780   2.607 2 U         -7.044e+05  0.00e+00 m   0  337  336  338 0
 244   2.607  40.780   2.606 2 U         -2.091e+06  0.00e+00 m   0  338  336  338 0
 246   4.970  57.140   4.966 2 U         -1.639e+05  0.00e+00 m   0  358  357  358 0
 247   1.606  57.140   4.970 2 U         -3.558e+05  0.00e+00 m   0  360  357  358 0
 248   0.558  57.140   4.970 2 U         -3.718e+05  0.00e+00 m   0  361  357  358 0
 249   0.432  57.140   4.970 2 U         -1.900e+05  0.00e+00 m   0  362  357  358 0
 251   4.970  33.516   1.606 2 U         -1.990e+05  0.00e+00 m   0  358  359  360 0
 252   1.606  33.516   1.606 2 U          1.443e+06  0.00e+00 m   0  360  359  360 0
 253   0.558  33.516   1.606 2 U         -3.769e+05  0.00e+00 m   0  361  359  360 0
 254   0.432  33.516   1.606 2 U         -2.574e+05  0.00e+00 m   0  362  359  360 0
 256   4.970  18.864   0.558 2 U         -3.047e+05  0.00e+00 m   0  358  363  361 0
 257   1.606  18.864   0.558 2 U         -6.326e+05  0.00e+00 m   0  360  363  361 0
 258   0.558  18.864   0.559 2 U          1.792e+06  0.00e+00 m   0  361  363  361 0
 259   0.432  18.864   0.558 2 U         -4.777e+05  0.00e+00 m   0  362  363  361 0
 261   4.970  17.645   0.432 2 U         -2.316e+05  0.00e+00 m   0  358  367  362 0
 262   1.606  17.645   0.432 2 U         -5.774e+05  0.00e+00 m   0  360  367  362 0
 263   0.558  17.645   0.432 2 U         -2.123e+06  0.00e+00 m   0  361  367  362 0
 264   0.432  17.645   0.431 2 U          1.792e+06  0.00e+00 m   0  362  367  362 0
 266   4.176  48.662   4.176 2 U          2.901e+06  0.00e+00 m   0  376  375  376 0
 267   2.048  48.662   4.176 2 U         -7.535e+04  0.00e+00 m   0  378  375  376 0
 268  -0.574  48.662   4.176 2 U         -1.505e+05  0.00e+00 m   0  379  375  376 0
 270   4.176  35.319   2.048 2 U         -9.332e+04  0.00e+00 m   0  376  377  378 0
 271   2.048  35.319   2.050 2 U         -1.407e+06  0.00e+00 m   0  378  377  378 0
 272  -0.574  35.319   2.048 2 U         -5.788e+05  0.00e+00 m   0  379  377  378 0
 274   4.176  35.319  -0.574 2 U         -7.351e+03  0.00e+00 m   0  376  377  379 0
 275   2.048  35.319  -0.574 2 U         -1.070e+05  0.00e+00 m   0  378  377  379 0
 276  -0.574  35.319  -0.633 2 U         -5.308e+05  0.00e+00 m   0  379  377  379 0
 278   4.095  55.549   4.093 2 U          1.966e+06  0.00e+00 m   0  390  389  390 0
 279   2.937  55.549   4.095 2 U         -6.021e+05  0.00e+00 m   0  392  389  390 0
 281   4.095  26.553   2.937 2 U         -2.578e+05  0.00e+00 m   0  390  391  392 0
 282   2.937  26.553   2.938 2 U          3.955e+05  0.00e+00 m   0  392  391  392 0
 284   4.419  53.238   4.419 2 U          3.050e+05  0.00e+00 m   0  407  406  407 0
 285   2.783  53.238   4.419 2 U         -1.787e+05  0.00e+00 m   0  409  406  407 0
 286   2.581  53.238   4.419 2 U         -3.419e+05  0.00e+00 m   0  410  406  407 0
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1017   6.114  39.277   2.661 1 U         -1.473e+05  0.00e+00 m   0  329  227  229 0
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1019   6.114  18.864   0.558 1 U         -2.632e+05  0.00e+00 m   0  329  363  361 0
1020   6.600  18.864   0.558 1 U         -1.145e+05  0.00e+00 m   0  330  363  361 0
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1022   6.114  33.516   1.606 1 U         -6.099e+04  0.00e+00 m   0  329  359  360 0
1023   6.600  33.516   1.606 1 U         -2.471e+04  0.00e+00 m   0  330  359  360 0
1024   6.114  17.645   0.432 1 U         -9.320e+04  0.00e+00 m   0  329  367  362 0
1028   0.786  40.582   6.114 1 U         -1.489e+05  0.00e+00 m   0  484  320  329 0
1029   6.114  31.867  -0.215 1 U         -3.822e+04  0.00e+00 m   0  329  188  190 0
1031   1.148  40.582   6.114 1 U         -8.458e+04  0.00e+00 m   0  189  320  329 0
1032  -0.215  40.582   6.114 1 U         -6.599e+04  0.00e+00 m   0  190  320  329 0
1033   6.114  31.867   1.148 1 U         -4.370e+04  0.00e+00 m   0  329  188  189 0
1036   7.249  56.264   4.782 1 U         -3.336e+04  0.00e+00 m   0  523  511  512 0
1037   7.943  37.317   2.580 1 U         -6.935e+04  0.00e+00 m   0  524  313  314 0
1039   2.580  45.297   7.943 1 U         -4.454e+04  0.00e+00 m   0  314  520  524 0
1041   6.699  28.695   1.733 1 U         -5.399e+04  0.00e+00 m   0  528  269  271 0
1045   1.886  45.297   6.699 1 U         -5.654e+04  0.00e+00 m   0  270  525  528 0
1049   6.746  53.830   4.619 1 U         -2.000e+05  0.00e+00 m   0  352  311  312 0
1050   6.997  53.830   4.619 1 U         -5.097e+04  0.00e+00 m   0  353  311  312 0
1051   6.746  53.830   4.258 1 U         -1.531e+05  0.00e+00 m   0  352  311  162 0
1052   6.997  53.830   4.258 1 U         -4.872e+04  0.00e+00 m   0  353  311  162 0
1053   6.746  53.548   6.997 1 U         -1.418e+05  0.00e+00 m   0  352  343  353 0
1054   6.997  56.494   6.746 1 U         -3.649e+04  0.00e+00 m   0  353  341  352 0
1055   6.997  39.803   2.426 1 U         -3.145e+04  0.00e+00 m   0  353  552  553 0
1056   6.997  39.803   2.010 1 U         -5.283e+04  0.00e+00 m   0  353  552  554 0
1057   6.997  19.997   0.487 1 U         -1.482e+05  0.00e+00 m   0  353  299  298 0
1059   6.746  24.389   0.863 1 U         -1.333e+05  0.00e+00 m   0  352   67   68 0
1060   6.997  24.389   0.863 1 U         -1.023e+05  0.00e+00 m   0  353   67   68 0
1061   0.586  53.548   6.997 1 U         -5.161e+04  0.00e+00 m   0   73  343  353 0
1062   6.746  21.911   0.586 1 U         -1.658e+05  0.00e+00 m   0  352   71   73 0
1063   6.997  21.911   0.586 1 U         -2.371e+05  0.00e+00 m   0  353   71   73 0
1065   6.997  22.136   0.759 1 U         -2.854e+04  0.00e+00 m   0  353  167  168 0
1066   6.997  22.136   0.689 1 U         -4.448e+04  0.00e+00 m   0  353  167  169 0
1067   6.746  32.003   1.361 1 U         -3.027e+04  0.00e+00 m   0  352  163  165 0
1068   6.997  32.003   1.361 1 U         -6.172e+04  0.00e+00 m   0  353  163  165 0
1069   6.997  32.003   1.527 1 U         -2.542e+04  0.00e+00 m   0  353  163  164 0
1072   6.746  40.780   2.906 1 U         -2.443e+05  0.00e+00 m   0  352  336  337 0
1074   6.746  40.780   2.607 1 U         -2.198e+05  0.00e+00 m   0  352  336  338 0
1076   6.746  47.224   2.216 1 U         -4.698e+04  0.00e+00 m   0  352  560  571 0
1077   6.997  47.224   2.216 1 U         -2.057e+04  0.00e+00 m   0  353  560  571 0
1078   6.746  47.224   2.041 1 U         -2.596e+04  0.00e+00 m   0  352  560  572 0
1079   7.202  40.780   2.906 1 U         -1.316e+05  0.00e+00 m   0  135  336  337 0
1080   7.202  40.780   2.607 1 U         -6.054e+04  0.00e+00 m   0  135  336  338 0
1081   6.661  58.796   5.164 1 U         -6.454e+04  0.00e+00 m   0  139  480  481 0
1082   6.661  57.140   4.970 1 U         -1.111e+05  0.00e+00 m   0  139  357  358 0
1085   2.906  45.297   6.661 1 U         -4.422e+04  0.00e+00 m   0  337  136  139 0
1086   2.607  45.297   6.661 1 U         -5.084e+04  0.00e+00 m   0  338  136  139 0
1087   2.139  45.297   6.661 1 U         -7.626e+04  0.00e+00 m   0  496  136  139 0
1088   6.840  30.169   2.142 1 U         -6.181e+04  0.00e+00 m   0  142  495  496 0
1090   6.661  30.169   2.452 1 U         -5.013e+04  0.00e+00 m   0  139  495  500 0
1091   1.248  40.883   2.898 1 U         -3.306e+05  0.00e+00 m   0  440  443  445 0
1092   6.843  27.692   1.866 1 U         -1.956e+05  0.00e+00 m   0  134   85   87 0
1093   6.833  25.765   1.748 1 U         -2.564e+04  0.00e+00 m   0  134   89   90 0
1094   7.052  27.692   1.466 1 U         -6.744e+04  0.00e+00 m   0  353  171  172 0
1095   7.052  27.692   1.375 1 U         -6.017e+04  0.00e+00 m   0  353  171  173 0
1096   6.938  26.553   2.937 1 U         -7.199e+04  0.00e+00 m   0  401  391  392 0
1097   6.926  32.371   1.815 1 U         -3.722e+04  0.00e+00 m   0  401  148  149 0
1098   6.857  27.692   2.453 1 U         -7.499e+04  0.00e+00 m   0  134   85   86 0
1100   6.892  48.061   2.823 1 U         -8.368e+04  0.00e+00 m   0  134   82   94 0
1101   6.746  49.162   2.689 1 U         -3.949e+04  0.00e+00 m   0  352  550  551 0
1102   7.000  49.162   2.689 1 U         -5.854e+04  0.00e+00 m   0  353  550  551 0
1103   7.202  48.662   4.176 1 U         -2.172e+04  0.00e+00 m   0  135  375  376 0
1104   7.060  39.528   2.667 1 U         -8.201e+04  0.00e+00 m   0  353  175  176 0
1105   6.746  56.264   4.782 1 U         -6.063e+04  0.00e+00 m   0  352  511  512 0
1106   7.969  53.830   4.619 1 U         -1.025e+05  0.00e+00 m   0  524  311  312 0
1107   7.202  57.140   4.970 1 U         -3.695e+04  0.00e+00 m   0  135  357  358 0
1109   6.122  68.700   3.637 1 U         -5.672e+04  0.00e+00 m   0  329  482  483 0
1110   6.609  68.700   3.637 1 U         -1.059e+05  0.00e+00 m   0  330  482  483 0
1113   6.863  15.905   0.773 1 U         -1.571e+05  0.00e+00 m   0  142  464  463 0
1114   3.883  60.221   4.284 1 U         -9.127e+04  0.00e+00 m   0   39   45   46 0
1115   3.397  42.556   3.890 1 U         -1.888e+06  0.00e+00 m   0   55   38   39 0
1116   1.745  42.556   3.890 1 U         -1.084e+05  0.00e+00 m   0   52   38   39 0
1118   3.885  24.686   1.745 1 U         -4.544e+04  0.00e+00 m   0   39   51   52 0
1120   3.889  47.511   3.390 1 U         -9.788e+05  0.00e+00 m   0   39   44   55 0
1121   3.798  24.600   0.972 1 U         -7.253e+04  0.00e+00 m   0  578  583  585 0
1122   2.610  24.600   0.972 1 U         -9.551e+04  0.00e+00 m   0  589  583  585 0
1123   2.651  24.600   0.972 1 U         -2.126e+05  0.00e+00 m   0  588  583  585 0
1124   1.632  24.600   0.972 1 U         -4.088e+05  0.00e+00 m   0  580  583  585 0
1126   1.537  24.600   0.972 1 U         -5.716e+05  0.00e+00 m   0  584  583  585 0
1127   0.972  24.600   0.972 1 U          2.423e+06  0.00e+00 m   0  585  583  585 0
1128   0.972  24.600   1.537 1 U         -5.956e+05  0.00e+00 m   0  585  583  584 0
1129   3.351  24.600   0.972 1 U         -5.058e+04  0.00e+00 m   0   93  583  585 0
1131   1.866  25.765   1.547 1 U         -3.532e+05  0.00e+00 m   0   87   89   91 0
1132   2.453  25.765   1.547 1 U         -1.774e+05  0.00e+00 m   0   86   89   91 0
1133   2.823  25.765   1.547 1 U         -2.041e+05  0.00e+00 m   0   94   89   91 0
1134   3.351  25.765   1.547 1 U         -1.140e+05  0.00e+00 m   0   93   89   91 0
1135   1.547  25.765   1.547 1 U          2.129e+06  0.00e+00 m   0   91   89   91 0
1139   0.972  54.248   3.798 1 U         -1.440e+05  0.00e+00 m   0  585  577  578 0
1140   0.972  28.111   1.632 1 U         -1.207e+05  0.00e+00 m   0  585  579  580 0
1141   0.972  28.111   1.389 1 U         -1.710e+05  0.00e+00 m   0  585  579  581 0
1142   0.972  41.057   2.651 1 U         -2.237e+05  0.00e+00 m   0  585  587  588 0
1143   0.586  41.057   2.651 1 U         -1.331e+05  0.00e+00 m   0   73  587  588 0
1144   0.525  40.796   2.850 1 U         -6.372e+04  0.00e+00 m   0  361  196  197 0
1145   0.531  40.796   2.757 1 U         -9.474e+04  0.00e+00 m   0  361  196  198 0
1146   2.850  18.864   0.558 1 U         -1.687e+05  0.00e+00 m   0  197  363  361 0
1148   1.796  37.368   1.389 1 U         -5.110e+04  0.00e+00 m   0    0  461  462 0
1149   2.049  37.368   1.389 1 U         -1.045e+05  0.00e+00 m   0  378  461  462 0
1151   0.515  39.528   2.667 1 U         -2.534e+05  0.00e+00 m   0    0  175  176 0
1152   2.676  19.997   0.487 1 U         -2.265e+05  0.00e+00 m   0  176  299  298 0
1157   0.807  36.013   2.781 1 U         -7.957e+04  0.00e+00 m   0  424  408  409 0
1158   0.807  36.013   2.580 1 U         -5.836e+04  0.00e+00 m   0  424  408  410 0
1166   2.850  33.516   1.606 1 U         -3.450e+04  0.00e+00 m   0  197  359  360 0
1167   0.807  30.169   2.139 1 U         -6.517e+04  0.00e+00 m   0  463  495  496 0
1168   0.820  30.169   2.084 1 U         -5.399e+04  0.00e+00 m   0  463  495  497 0
1169   2.170  15.905   0.773 1 U         -1.774e+05  0.00e+00 m   0  496  464  463 0
1171   2.819  28.469   0.601 1 U         -5.801e+03  0.00e+00 m   0    0  563  564 0
1172   1.563  27.692   2.453 1 U         -1.280e+05  0.00e+00 m   0   91   85   86 0
1173   1.519  27.692   1.866 1 U         -3.250e+05  0.00e+00 m   0   91   85   87 0
1174   3.720  27.692   2.453 1 U         -6.854e+04  0.00e+00 m   0  109   85   86 0
1177   1.489  19.997   0.487 1 U         -1.349e+05  0.00e+00 m   0  172  299  298 0
1178   0.540  27.692   1.466 1 U         -9.024e+04  0.00e+00 m   0    0  171  172 0
1186   6.852  25.765   1.547 1 U         -6.172e+04  0.00e+00 m   0  134   89   91 0
1187   0.586  25.765   1.547 1 U         -9.834e+04  0.00e+00 m   0   73   89   91 0
1190   2.864  24.389   0.863 1 U         -1.769e+05  0.00e+00 m   0  126   67   68 0
1191   3.103  24.389   0.863 1 U         -9.525e+04  0.00e+00 m   0  125   67   68 0
1192   4.536  24.389   0.863 1 U         -2.469e+05  0.00e+00 m   0  147   67   68 0
1193   2.158  24.389   0.863 1 U         -3.154e+04  0.00e+00 m   0  153   67   68 0
1194   2.823  24.390   0.282 1 U         -5.161e+04  0.00e+00 m   0   94  567  568 0
1195   2.823  24.390  -0.028 1 U         -5.873e+03  0.00e+00 m   0   94  567  569 0
1196   3.704  24.390   0.282 1 U         -3.140e+04  0.00e+00 m   0  562  567  568 0
1197   4.092  25.739   1.248 1 U         -5.270e+04  0.00e+00 m   0  390  439  440 0
1198   3.720  62.318   4.165 1 U         -3.113e+04  0.00e+00 m   0  109   99  100 0
1199   3.432  62.318   4.165 1 U         -6.126e+04  0.00e+00 m   0  110   99  100 0
1200   2.159  62.318   4.165 1 U         -5.737e+05  0.00e+00 m   0  102   99  100 0
1201   2.185  25.765   1.938 1 U         -2.541e+05  0.00e+00 m   0  102  105  106 0
1202   2.195  25.765   1.856 1 U         -2.592e+05  0.00e+00 m   0  102  105  107 0
1210   4.909  59.727   4.504 1 U         -5.446e+05  0.00e+00 m   0  213  293  294 0
1211   4.504  58.598   4.900 1 U         -9.395e+05  0.00e+00 m   0  294  212  213 0
1213   0.508  58.598   4.906 1 U         -9.037e+04  0.00e+00 m   0  298  212  213 0
1214   1.559  59.897   4.617 1 U         -4.820e+04  0.00e+00 m   0   91   83   84 0
1217   5.148  17.645   0.432 1 U         -5.799e+04  0.00e+00 m   0  481  367  362 0
1218   5.142  18.864   0.558 1 U         -8.253e+04  0.00e+00 m   0  481  363  361 0
1221   1.856  18.864   0.558 1 U         -1.345e+05  0.00e+00 m   0  149  363  361 0
1227   0.798  57.140   4.970 1 U         -1.456e+05  0.00e+00 m   0  484  357  358 0
1230   3.594  55.549   4.095 1 U         -7.635e+04  0.00e+00 m   0  434  389  390 0
1234   4.073  55.454   3.594 1 U         -1.830e+05  0.00e+00 m   0  390  433  434 0
1235   2.615  56.264   4.782 1 U         -7.690e+04  0.00e+00 m   0  314  511  512 0
1236   2.180  56.264   4.782 1 U         -1.291e+05  0.00e+00 m   0  315  511  512 0
1240   4.287  54.596   5.281 1 U         -3.414e+05  0.00e+00 m   0  162  334  335 0
1242   5.301  53.667   4.260 1 U         -3.507e+05  0.00e+00 m   0  335  161  162 0
1247   2.651  51.915   3.972 1 U         -2.796e+05  0.00e+00 m   0  588   61   62 0
1248   2.449  49.162   3.720 1 U         -5.645e+04  0.00e+00 m   0   86   98  109 0
1249   2.485  49.162   3.432 1 U         -8.343e+04  0.00e+00 m   0   86   98  110 0
1251   0.972  48.061   3.351 1 U         -1.057e+05  0.00e+00 m   0  585   82   93 0
1254   0.972  48.061   2.823 1 U         -6.481e+04  0.00e+00 m   0  585   82   94 0
1255   0.586  48.061   2.823 1 U         -1.694e+05  0.00e+00 m   0   73   82   94 0
1256   0.313  48.061   2.823 1 U         -1.013e+05  0.00e+00 m   0  565   82   94 0
1259   3.977  48.061   2.823 1 U         -2.796e+05  0.00e+00 m   0   62   82   94 0
1260   2.707  47.224   2.216 1 U         -2.501e+05  0.00e+00 m   0  551  560  571 0
1261   2.728  47.224   2.041 1 U         -1.872e+05  0.00e+00 m   0  551  560  572 0
1262   6.933  42.940   6.912 1 U         -2.307e+06  0.00e+00 m   0    0    0    0 0
1275   0.504  26.040   0.903 1 U         -8.214e+04  0.00e+00 m   0  361  192  194 0
1276   0.520  26.040   1.095 1 U         -2.913e+04  0.00e+00 m   0  361  192  193 0
1277   3.724  29.974   2.159 1 U         -4.801e+04  0.00e+00 m   0  109  101  102 0
1278   4.176  29.974   2.159 1 U         -3.383e+05  0.00e+00 m   0  100  101  102 0
1279   4.176  29.974   1.715 1 U         -1.418e+05  0.00e+00 m   0  100  101  103 0
1280   3.962  41.057   2.651 1 U         -1.402e+05  0.00e+00 m   0   62  587  588 0
1281   3.962  41.057   2.610 1 U         -8.767e+04  0.00e+00 m   0   62  587  589 0
1282   2.610  41.057   2.610 1 U         -2.748e+06  0.00e+00 m   0  589  587  589 0
1286   1.537  41.057   2.610 1 U         -2.865e+05  0.00e+00 m   0  584  587  589 0
1287   1.632  41.057   2.610 1 U         -2.792e+05  0.00e+00 m   0  580  587  589 0
1288   0.972  41.057   2.610 1 U         -1.630e+05  0.00e+00 m   0  585  587  589 0
1289   0.586  41.057   2.610 1 U         -8.548e+04  0.00e+00 m   0   73  587  589 0
1290   3.351  24.600   1.541 1 U         -1.182e+05  0.00e+00 m   0   93  583  584 0
1291   2.940  51.190   7.249 1 U         -5.425e+04  0.00e+00 m   0  515  518  523 0
1292   2.130  48.833   6.850 1 U         -3.849e+04  0.00e+00 m   0  378  140  142 0
1293   0.800  48.833   6.850 1 U         -7.099e+04  0.00e+00 m   0  463  140  142 0
1294   6.150  50.012   4.765 1 U         -2.237e+05  0.00e+00 m   0  329  225  226 0
1297   1.235  48.061   3.351 1 U         -9.152e+04  0.00e+00 m   0   65   82   93 0
1298   1.235  48.061   2.824 1 U         -1.493e+05  0.00e+00 m   0   65   82   94 0
1299   1.880  50.601   6.845 1 U         -1.944e+05  0.00e+00 m   0   87  129  134 0
1301   2.068  35.319  -0.633 1 U         -6.695e+05  0.00e+00 m   0  378  377  379 0
1302   4.180  35.319  -0.633 1 U         -9.204e+04  0.00e+00 m   0  376  377  379 0
1303   1.554  41.057   2.651 1 U         -6.993e+05  0.00e+00 m   0   64  587  588 0


# Number of dimensions 3
#INAME 1 1H
#INAME 2 15N
#INAME 3 1H
   1   8.410 123.520   8.410 2 U          1.434e+05  0.00e+00 m   0    9    8    9 0
   3   1.098 123.520   8.410 2 U          1.226e+04  0.00e+00 m   0   12    8    9 0
   4   8.317 119.153   8.317 2 U          1.190e+06  0.00e+00 m   0   19   18   19 0
   5   4.374 119.153   8.317 2 U          2.365e+04  0.00e+00 m   0   21   18   19 0
   6   1.797 119.153   8.317 2 U          4.062e+04  0.00e+00 m   0   23   18   19 0
   8   2.362 119.153   8.317 2 U          1.693e+04  0.00e+00 m   0   27   18   19 0
  10   8.181 109.815   8.181 2 U          9.279e+05  0.00e+00 m   0   37   36   37 0
  11   3.896 109.815   8.181 2 U          1.054e+05  0.00e+00 m   0   39   36   37 0
  12   8.547 122.304   8.547 2 U          1.117e+06  0.00e+00 m   0   60   59   60 0
  13   3.996 122.304   8.547 2 U          3.072e+04  0.00e+00 m   0   62   59   60 0
  14   1.712 122.304   8.547 2 U          8.407e+04  0.00e+00 m   0   64   59   60 0
  15   1.266 122.304   8.547 2 U          2.211e+04  0.00e+00 m   0   65   59   60 0
  16   0.945 122.304   8.547 2 U          1.324e+04  0.00e+00 m   0   68   59   60 0
  17   0.517 122.304   8.547 2 U          1.541e+04  0.00e+00 m   0   73   59   60 0
  18   8.637 112.109   8.637 2 U          5.723e+05  0.00e+00 m   0  114  113  114 0
  19   4.155 112.109   8.637 2 U          1.469e+05  0.00e+00 m   0  116  113  114 0
  20   3.293 112.109   8.637 2 U          7.726e+04  0.00e+00 m   0  117  113  114 0
  24   6.851 129.565  10.458 2 U          5.690e+04  0.00e+00 m   0  134  133  138 0
  26  10.458 129.565  10.456 2 U          6.540e+05  0.00e+00 m   0  138  133  138 0
  27   6.661 129.565  10.458 2 U          7.453e+03  0.00e+00 m   0  139  133  138 0
  28   7.289 129.565  10.458 2 U          3.027e+04  0.00e+00 m   0  141  133  138 0
  30   9.262 121.514   9.262 2 U          4.119e+05  0.00e+00 m   0  145  144  145 0
  31   4.515 121.514   9.262 2 U          2.208e+04  0.00e+00 m   0  147  144  145 0
  32   2.067 121.514   9.262 2 U          7.657e+03  0.00e+00 m   0  149  144  145 0
  35   8.626 126.102   8.626 2 U          4.501e+05  0.00e+00 m   0  160  159  160 0
  36   4.258 126.102   8.626 2 U          1.670e+04  0.00e+00 m   0  162  159  160 0
  37   1.527 126.102   8.626 2 U          5.470e+04  0.00e+00 m   0  164  159  160 0
  38   1.361 126.102   8.626 2 U          2.868e+04  0.00e+00 m   0  165  159  160 0
  39   0.872 126.102   8.626 2 U          2.609e+04  0.00e+00 m   0  168  159  160 0
  40   0.812 126.102   8.626 2 U          1.802e+04  0.00e+00 m   0  169  159  160 0
  42   2.067 126.102   8.626 2 U          1.895e+04  0.00e+00 m   0  149  159  160 0
  44   8.482 127.810   8.482 2 U          5.090e+05  0.00e+00 m   0  185  184  185 0
  45   4.235 127.810   8.482 2 U          1.131e+05  0.00e+00 m   0  162  184  185 0
  46   1.139 127.810   8.482 2 U          1.868e+04  0.00e+00 m   0  189  184  185 0
  47  -0.222 127.810   8.482 2 U          3.036e+04  0.00e+00 m   0  190  184  185 0
  55   1.139 124.564   6.791 2 U          9.862e+03  0.00e+00 m   0  189  200  201 0
  57   1.097 124.564   6.791 2 U          9.862e+03  0.00e+00 m   0  193  200  201 0
  58   0.908 124.564   6.791 2 U          7.089e+03  0.00e+00 m   0  194  200  201 0
  59   2.813 124.564   6.791 2 U          1.252e+04  0.00e+00 m   0  197  200  201 0
  60   2.767 124.564   6.791 2 U          7.453e+03  0.00e+00 m   0  198  200  201 0
  61   6.791 124.564   6.791 2 U          2.301e+05  0.00e+00 m   0  201  200  201 0
  62   7.723 110.962   7.723 2 U          7.199e+05  0.00e+00 m   0  211  210  211 0
  63   4.905 110.962   7.723 2 U          2.622e+04  0.00e+00 m   0  213  210  211 0
  64   3.628 110.962   7.723 2 U          3.381e+04  0.00e+00 m   0  215  210  211 0
  65   0.957 110.962   7.723 2 U          1.743e+04  0.00e+00 m   0  216  210  211 0
  66   9.142 126.358   9.142 2 U          5.156e+05  0.00e+00 m   0  224  223  224 0
  67   4.766 126.358   9.142 2 U          3.372e+04  0.00e+00 m   0  226  223  224 0
  68   3.311 126.358   9.142 2 U          1.702e+04  0.00e+00 m   0  228  223  224 0
  69   2.661 126.358   9.142 2 U          3.368e+04  0.00e+00 m   0  229  223  224 0
  70   8.429 113.485   8.429 2 U          5.396e+05  0.00e+00 m   0  235  234  235 0
  71   4.034 113.485   8.429 2 U          2.868e+04  0.00e+00 m   0  237  234  235 0
  72   3.807 113.485   8.429 2 U          5.926e+04  0.00e+00 m   0  239  234  235 0
  73   3.738 113.485   8.429 2 U          4.634e+04  0.00e+00 m   0  240  234  235 0
  74   8.263 119.211   8.263 2 U          6.108e+05  0.00e+00 m   0  245  244  245 0
  75   4.763 119.211   8.263 2 U          2.981e+04  0.00e+00 m   0  247  244  245 0
  76   2.794 119.211   8.263 2 U          2.124e+04  0.00e+00 m   0  249  244  245 0
  77   2.627 119.211   8.263 2 U          5.335e+04  0.00e+00 m   0  250  244  245 0
  82   2.794 114.475   6.791 2 U          6.716e+03  0.00e+00 m   0  249  253  254 0
  83   2.627 114.475   6.791 2 U          1.834e+04  0.00e+00 m   0  250  253  254 0
  84   6.791 114.475   6.793 2 U          7.199e+05  0.00e+00 m   0  254  253  254 0
  85   7.614 114.475   6.791 2 U          3.311e+05  0.00e+00 m   0  255  253  254 0
  88   2.794 114.475   7.614 2 U          1.183e+04  0.00e+00 m   0  249  253  255 0
  89   2.627 114.475   7.614 2 U          3.300e+04  0.00e+00 m   0  250  253  255 0
  90   6.791 114.475   7.614 2 U          3.098e+05  0.00e+00 m   0  254  253  255 0
  91   7.614 114.475   7.614 2 U          6.582e+05  0.00e+00 m   0  255  253  255 0
  92   8.022 108.898   8.021 2 U          4.865e+05  0.00e+00 m   0  259  258  259 0
  93   4.030 108.898   8.022 2 U          4.435e+04  0.00e+00 m   0  261  258  259 0
  94   3.385 108.898   8.022 2 U          6.481e+04  0.00e+00 m   0  262  258  259 0
  95   8.509 123.808   8.509 2 U          5.723e+05  0.00e+00 m   0  266  265  266 0
  96   4.243 123.808   8.509 2 U          2.674e+04  0.00e+00 m   0  268  265  266 0
  97   1.778 123.808   8.509 2 U          5.225e+04  0.00e+00 m   0  270  265  266 0
  99   1.510 123.808   8.509 2 U          3.009e+04  0.00e+00 m   0  274  265  266 0
 101   2.645 123.808   8.509 2 U          2.098e+04  0.00e+00 m   0  278  265  266 0
 106   1.778 125.189   6.977 2 U          1.162e+04  0.00e+00 m   0  270  281  282 0
 108   1.510 125.189   6.977 2 U          2.497e+04  0.00e+00 m   0  274  281  282 0
 110   2.645 125.189   6.977 2 U          1.761e+04  0.00e+00 m   0  278  281  282 0
 112   6.977 125.189   6.977 2 U          3.625e+05  0.00e+00 m   0  282  281  282 0
 113   8.308 126.331   8.306 2 U          6.849e+05  0.00e+00 m   0  292  291  292 0
 114   4.512 126.331   8.308 2 U          2.658e+04  0.00e+00 m   0  294  291  292 0
 115   1.713 126.331   8.308 2 U          1.072e+05  0.00e+00 m   0  296  291  292 0
 116   0.790 126.331   8.308 2 U          6.090e+04  0.00e+00 m   0  297  291  292 0
 117   0.487 126.331   8.308 2 U          1.836e+04  0.00e+00 m   0  298  291  292 0
 118   8.533 122.786   8.533 2 U          8.484e+05  0.00e+00 m   0  310  309  310 0
 119   4.564 122.786   8.533 2 U          1.127e+05  0.00e+00 m   0  312  309  310 0
 120   2.580 122.786   8.533 2 U          1.237e+04  0.00e+00 m   0  314  309  310 0
 121   2.147 122.786   8.533 2 U          9.339e+03  0.00e+00 m   0  315  309  310 0
 122   6.146 122.786   8.533 2 U          4.641e+03  0.00e+00 m   0  329  309  310 0
 123   6.602 122.786   8.533 2 U          2.751e+04  0.00e+00 m   0  330  309  310 0
 124   8.770 115.779   8.770 2 U          3.368e+05  0.00e+00 m   0  333  332  333 0
 125   5.280 115.779   8.770 2 U          1.477e+04  0.00e+00 m   0  335  332  333 0
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 381   6.146 125.189   6.977 1 U          1.452e+04  0.00e+00 m   0  287  281  282 0
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 385   1.482 126.331   8.308 1 U          2.648e+04  0.00e+00 m   0  271  291  292 0
 387   4.595 115.779   8.770 1 U          4.904e+04  0.00e+00 m   0  312  332  333 0
 388   2.164 115.779   8.770 1 U          5.645e+04  0.00e+00 m   0  315  332  333 0
 389   7.208 120.200   8.940 1 U          1.203e+04  0.00e+00 m   0    0  355  356 0
 390   6.675 120.200   8.940 1 U          9.487e+03  0.00e+00 m   0    0  355  356 0
 391   2.913 120.200   8.940 1 U          1.541e+04  0.00e+00 m   0  337  355  356 0
 392   2.614 120.200   8.940 1 U          6.869e+03  0.00e+00 m   0  338  355  356 0
 393   4.245 120.200   8.940 1 U          9.946e+03  0.00e+00 m   0  162  355  356 0
 394   1.648 126.102   8.252 1 U          8.282e+03  0.00e+00 m   0  360  373  374 0
 395   0.566 126.102   8.252 1 U          2.343e+04  0.00e+00 m   0  361  373  374 0
 396   2.980 117.162   8.382 1 U          2.256e+04  0.00e+00 m   0  392  404  405 0
 397   2.813 108.347   7.323 1 U          2.561e+04  0.00e+00 m   0  409  418  419 0
 398   2.630 108.347   7.323 1 U          9.737e+03  0.00e+00 m   0  410  418  419 0
 399   2.081 108.347   7.323 1 U          9.282e+03  0.00e+00 m   0    0  418  419 0
 400   0.849 116.009   7.684 1 U          9.578e+03  0.00e+00 m   0    0  431  432 0
 402   2.098 119.740   6.951 1 U          1.258e+04  0.00e+00 m   0    0  457  458 0
 403   4.145 120.597   8.080 1 U          1.485e+05  0.00e+00 m   0  460  478  479 0
 404   1.365 120.597   8.080 1 U          2.127e+04  0.00e+00 m   0  462  478  479 0
 405   5.161 123.250   8.554 1 U          1.065e+04  0.00e+00 m   0  123  387  388 0
 406   5.194 120.367   9.384 1 U          4.326e+04  0.00e+00 m   0  481  491  492 0
 407   0.816 120.367   9.384 1 U          2.031e+04  0.00e+00 m   0  484  491  492 0
 408   3.679 120.367   9.384 1 U          8.294e+03  0.00e+00 m   0  483  491  492 0
 409   2.098 120.119   8.424 1 U          3.858e+04  0.00e+00 m   0  496  509  510 0
 410   3.413 117.385   7.838 1 U          1.015e+04  0.00e+00 m   0  514  533  534 0
 411   2.930 117.385   7.838 1 U          2.192e+04  0.00e+00 m   0  515  533  534 0
 413   1.717 124.827   8.201 1 U          1.620e+04  0.00e+00 m   0  538  548  549 0
 414   1.561 124.827   8.201 1 U          2.394e+04  0.00e+00 m   0  539  548  549 0
 415   4.027 124.827   8.201 1 U          1.347e+05  0.00e+00 m   0  536  548  549 0
 416   7.025 124.827   8.201 1 U          9.839e+03  0.00e+00 m   0  353  548  549 0
 417   2.214 120.544   8.261 1 U          9.946e+03  0.00e+00 m   0  571  575  576 0
 418   0.583 120.544   8.261 1 U          9.816e+03  0.00e+00 m   0  564  575  576 0
 419   0.316 120.544   8.261 1 U          1.168e+04  0.00e+00 m   0  565  575  576 0
 420   3.596 121.055   7.402 1 U          4.280e+04  0.00e+00 m   0  578  601  602 0
 421   1.626 121.055   7.402 1 U          1.012e+04  0.00e+00 m   0  580  601  602 0
 422   1.432 121.055   7.402 1 U          8.487e+03  0.00e+00 m   0  581  601  602 0
 423   2.031 120.544   8.261 1 U          7.408e+03  0.00e+00 m   0  572  575  576 0
 424   1.432 123.939   8.388 1 U          7.567e+03  0.00e+00 m   0  581  591  592 0
 425   1.132 119.153   8.317 1 U          2.021e+04  0.00e+00 m   0   12   18   19 0
 426   4.098 119.153   8.317 1 U          6.663e+04  0.00e+00 m   0   11   18   19 0
 427   4.270 122.304   8.547 1 U          1.480e+05  0.00e+00 m   0   46   59   60 0
 428   2.066 122.304   8.547 1 U          1.727e+04  0.00e+00 m   0   48   59   60 0
 431   2.041 110.186   6.652 1 U          4.851e+03  0.00e+00 m   0  378  382  383 0
 432  -0.636 110.186   6.652 1 U          9.055e+03  0.00e+00 m   0  379  382  383 0
 434   1.852 121.514   9.262 1 U          4.615e+04  0.00e+00 m   0  150  144  145 0
 435   1.835 126.102   8.626 1 U          2.507e+04  0.00e+00 m   0  150  159  160 0
 436   0.832 110.186   6.652 1 U          8.839e+03  0.00e+00 m   0    0  382  383 0
 437   0.814 126.102   8.252 1 U          8.987e+03  0.00e+00 m   0    0  373  374 0
 438   6.652 110.186   6.652 1 U          2.327e+05  0.00e+00 m   0  383  382  383 0
 439   4.364 110.186   6.652 1 U          8.921e+04  0.00e+00 m   0  384  382  383 0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO   5           HA       PRO   5   0.454  -9.487  -5.321
    2   1HB   PRO   5          2HB       PRO   5  -1.143 -11.891  -5.089
    3   2HB   PRO   5          1HB       PRO   5  -0.176 -11.342  -6.457
    4   1HG   PRO   5          2HG       PRO   5   0.432 -13.543  -4.955
    5   2HG   PRO   5          1HG       PRO   5   1.633 -12.588  -5.842
    6   1HD   PRO   5          2HD       PRO   5   0.942 -12.534  -2.931
    7   2HD   PRO   5          1HD       PRO   5   2.535 -12.425  -3.714
    8    H    LEU   6           H        LEU   6  -1.211  -8.154  -4.777
    9    HA   LEU   6           HA       LEU   6  -2.326  -8.546  -2.131
   10   1HB   LEU   6          2HB       LEU   6  -3.222  -6.216  -2.378
   11   2HB   LEU   6          1HB       LEU   6  -1.488  -6.370  -2.365
   12    HG   LEU   6           HG       LEU   6  -2.257  -4.633  -3.914
   13   1HD1  LEU   6          1HD1      LEU   6  -1.011  -5.306  -5.899
   14   2HD1  LEU   6          2HD1      LEU   6  -1.001  -6.975  -5.328
   15   3HD1  LEU   6          3HD1      LEU   6  -0.160  -5.722  -4.414
   16   1HD2  LEU   6          1HD2      LEU   6  -3.610  -6.872  -5.399
   17   2HD2  LEU   6          2HD2      LEU   6  -3.396  -5.227  -6.000
   18   3HD2  LEU   6          3HD2      LEU   6  -4.391  -5.525  -4.573
   19    HA   PRO   7           HA       PRO   7  -6.473  -9.321  -3.620
   20   1HB   PRO   7          2HB       PRO   7  -7.545  -9.374  -1.085
   21   2HB   PRO   7          1HB       PRO   7  -6.659 -10.724  -1.798
   22   1HG   PRO   7          2HG       PRO   7  -5.882  -9.081   0.430
   23   2HG   PRO   7          1HG       PRO   7  -4.999 -10.436  -0.283
   24   1HD   PRO   7          2HD       PRO   7  -4.670  -7.526  -0.724
   25   2HD   PRO   7          1HD       PRO   7  -3.473  -8.826  -0.901
   26    HA   PRO   8           HA       PRO   8  -6.714  -5.003  -3.264
   27   1HB   PRO   8          2HB       PRO   8  -7.920  -4.367  -5.588
   28   2HB   PRO   8          1HB       PRO   8  -6.283  -5.017  -5.488
   29   1HG   PRO   8          2HG       PRO   8  -8.765  -6.320  -6.395
   30   2HG   PRO   8          1HG       PRO   8  -7.084  -6.714  -6.784
   31   1HD   PRO   8          2HD       PRO   8  -8.804  -7.983  -4.876
   32   2HD   PRO   8          1HD       PRO   8  -7.106  -8.360  -5.235
   33    H    GLY   9           H        GLY   9  -8.532  -5.301  -1.405
   34   1HA   GLY   9          2HA       GLY   9 -10.121  -2.963  -2.156
   35   2HA   GLY   9          1HA       GLY   9  -9.767  -3.519  -0.507
   36    H    TRP  10           H        TRP  10  -7.100  -4.113  -1.506
   37    HA   TRP  10           HA       TRP  10  -5.700  -1.695  -0.781
   38   1HB   TRP  10          2HB       TRP  10  -4.674  -4.477  -1.435
   39   2HB   TRP  10          1HB       TRP  10  -3.773  -3.192  -0.641
   40    HD1  TRP  10           HD1      TRP  10  -6.660  -5.660   0.030
   41    HE1  TRP  10           HE1      TRP  10  -6.836  -6.019   2.571
   42    HE3  TRP  10           HE3      TRP  10  -3.227  -2.218   1.561
   43    HZ2  TRP  10           HZ2      TRP  10  -5.653  -4.983   4.923
   44    HZ3  TRP  10           HZ3      TRP  10  -2.800  -1.965   3.959
   45    HH2  TRP  10           HH2      TRP  10  -3.975  -3.329   5.608
   46    H    GLU  11           H        GLU  11  -3.959  -0.877  -2.125
   47    HA   GLU  11           HA       GLU  11  -4.106  -1.669  -4.922
   48   1HB   GLU  11          2HB       GLU  11  -4.068   0.634  -5.674
   49   2HB   GLU  11          1HB       GLU  11  -5.484   0.397  -4.655
   50   1HG   GLU  11          2HG       GLU  11  -4.637   1.670  -2.952
   51   2HG   GLU  11          1HG       GLU  11  -2.968   1.376  -3.436
   52    H    LYS  12           H        LYS  12  -2.104  -1.263  -6.003
   53    HA   LYS  12           HA       LYS  12   0.081  -1.403  -4.132
   54   1HB   LYS  12          2HB       LYS  12  -0.187  -3.020  -6.004
   55   2HB   LYS  12          1HB       LYS  12  -0.033  -1.703  -7.157
   56   1HG   LYS  12          2HG       LYS  12   2.075  -2.287  -5.161
   57   2HG   LYS  12          1HG       LYS  12   2.012  -3.162  -6.692
   58   1HD   LYS  12          2HD       LYS  12   2.037  -0.914  -7.841
   59   2HD   LYS  12          1HD       LYS  12   2.347  -0.187  -6.256
   60   1HE   LYS  12          2HE       LYS  12   4.440  -1.344  -6.079
   61   2HE   LYS  12          1HE       LYS  12   4.103  -2.297  -7.521
   62   1HZ   LYS  12          1HZ       LYS  12   5.582  -0.610  -8.175
   63   2HZ   LYS  12          2HZ       LYS  12   4.715   0.599  -7.360
   64   3HZ   LYS  12          3HZ       LYS  12   4.065  -0.119  -8.751
   65    H    ARG  13           H        ARG  13   0.656   0.608  -3.462
   66    HA   ARG  13           HA       ARG  13   1.416   2.526  -5.567
   67   1HB   ARG  13          2HB       ARG  13   0.742   3.075  -2.672
   68   2HB   ARG  13          1HB       ARG  13   1.400   4.268  -3.778
   69   1HG   ARG  13          2HG       ARG  13  -0.581   4.101  -5.168
   70   2HG   ARG  13          1HG       ARG  13  -1.242   2.862  -4.096
   71   1HD   ARG  13          2HD       ARG  13  -2.165   4.486  -2.891
   72   2HD   ARG  13          1HD       ARG  13  -0.543   4.993  -2.429
   73    HE   ARG  13           HE       ARG  13  -2.054   6.095  -4.712
   74   1HH1  ARG  13          1HH1      ARG  13   0.327   6.433  -2.161
   75   2HH1  ARG  13          2HH1      ARG  13   0.515   8.142  -2.384
   76   1HH2  ARG  13          1HH2      ARG  13  -1.818   8.366  -5.008
   77   2HH2  ARG  13          2HH2      ARG  13  -0.692   9.239  -4.004
   78    H    THR  14           H        THR  14   3.507   2.823  -5.862
   79    HA   THR  14           HA       THR  14   5.415   1.909  -3.867
   80    HB   THR  14           HB       THR  14   6.772   3.289  -5.935
   81    HG1  THR  14           HG1      THR  14   5.476   3.117  -7.605
   82   1HG2  THR  14          1HG2      THR  14   7.539   1.229  -4.824
   83   2HG2  THR  14          2HG2      THR  14   7.595   1.098  -6.578
   84   3HG2  THR  14          3HG2      THR  14   6.293   0.316  -5.679
   85    H    ASP  15           H        ASP  15   6.818   3.334  -2.761
   86    HA   ASP  15           HA       ASP  15   6.063   6.150  -2.848
   87   1HB   ASP  15          2HB       ASP  15   7.550   6.514  -0.966
   88   2HB   ASP  15          1HB       ASP  15   6.508   5.147  -0.609
   89    H    SER  16           H        SER  16   7.937   7.730  -3.172
   90    HA   SER  16           HA       SER  16   7.950   7.815  -5.775
   91   1HB   SER  16          2HB       SER  16  10.301   8.788  -4.159
   92   2HB   SER  16          1HB       SER  16   9.770   9.415  -5.720
   93    HG   SER  16           HG       SER  16   8.074  10.362  -4.801
   94    H    ASN  17           H        ASN  17  10.822   6.238  -4.170
   95    HA   ASN  17           HA       ASN  17  11.771   5.699  -6.882
   96   1HB   ASN  17          2HB       ASN  17  13.356   6.538  -5.174
   97   2HB   ASN  17          1HB       ASN  17  13.079   5.084  -4.224
   98   1HD2  ASN  17          1HD2      ASN  17  14.634   6.463  -6.960
   99   2HD2  ASN  17          2HD2      ASN  17  15.597   5.083  -7.380
  100    H    GLY  18           H        GLY  18  11.910   3.653  -4.007
  101   1HA   GLY  18          2HA       GLY  18  11.762   1.341  -5.756
  102   2HA   GLY  18          1HA       GLY  18  12.356   1.363  -4.121
  103    H    ARG  19           H        ARG  19  10.014   2.388  -2.839
  104    HA   ARG  19           HA       ARG  19   9.462  -0.448  -2.426
  105   1HB   ARG  19          2HB       ARG  19  10.491   0.977  -0.688
  106   2HB   ARG  19          1HB       ARG  19   9.013   1.920  -0.632
  107   1HG   ARG  19          2HG       ARG  19   7.877  -0.316  -0.044
  108   2HG   ARG  19          1HG       ARG  19   9.521  -0.843   0.353
  109   1HD   ARG  19          2HD       ARG  19   9.577   1.487   1.583
  110   2HD   ARG  19          1HD       ARG  19   7.831   1.253   1.615
  111    HE   ARG  19           HE       ARG  19   8.600  -1.043   2.656
  112   1HH1  ARG  19          1HH1      ARG  19   9.867   2.158   3.194
  113   2HH1  ARG  19          2HH1      ARG  19  10.451   1.820   4.797
  114   1HH2  ARG  19          1HH2      ARG  19   9.354  -1.513   4.800
  115   2HH2  ARG  19          2HH2      ARG  19  10.119  -0.241   5.723
  116    H    VAL  20           H        VAL  20   7.532  -1.393  -2.529
  117    HA   VAL  20           HA       VAL  20   5.170   0.254  -2.954
  118    HB   VAL  20           HB       VAL  20   5.336  -1.565  -4.515
  119   1HG1  VAL  20          1HG1      VAL  20   5.436  -3.415  -2.136
  120   2HG1  VAL  20          2HG1      VAL  20   6.777  -3.043  -3.218
  121   3HG1  VAL  20          3HG1      VAL  20   5.367  -3.907  -3.829
  122   1HG2  VAL  20          1HG2      VAL  20   3.198  -2.151  -2.441
  123   2HG2  VAL  20          2HG2      VAL  20   3.179  -2.706  -4.112
  124   3HG2  VAL  20          3HG2      VAL  20   3.069  -0.984  -3.757
  125    H    TYR  21           H        TYR  21   3.633   0.493  -1.568
  126    HA   TYR  21           HA       TYR  21   3.421  -1.313   0.702
  127   1HB   TYR  21          2HB       TYR  21   2.601   0.630   2.048
  128   2HB   TYR  21          1HB       TYR  21   4.296   0.736   1.584
  129    HD1  TYR  21           HD1      TYR  21   0.908   2.067   0.831
  130    HD2  TYR  21           HD2      TYR  21   5.103   2.452   0.238
  131    HE1  TYR  21           HE1      TYR  21   0.558   4.272  -0.206
  132    HE2  TYR  21           HE2      TYR  21   4.781   4.645  -0.781
  133    HH   TYR  21           HH       TYR  21   3.061   5.930  -1.883
  134    H    PHE  22           H        PHE  22   1.349  -1.824   1.342
  135    HA   PHE  22           HA       PHE  22  -0.525  -1.657  -0.885
  136   1HB   PHE  22          2HB       PHE  22  -0.680  -3.276   1.683
  137   2HB   PHE  22          1HB       PHE  22  -1.728  -3.448   0.279
  138    HD1  PHE  22           HD1      PHE  22  -0.888  -4.461  -1.793
  139    HD2  PHE  22           HD2      PHE  22   1.539  -4.181   1.696
  140    HE1  PHE  22           HE1      PHE  22   0.677  -6.103  -2.746
  141    HE2  PHE  22           HE2      PHE  22   3.103  -5.825   0.748
  142    HZ   PHE  22           HZ       PHE  22   2.672  -6.784  -1.481
  143    H    VAL  23           H        VAL  23  -2.172  -0.317  -0.869
  144    HA   VAL  23           HA       VAL  23  -2.888   0.994   1.664
  145    HB   VAL  23           HB       VAL  23  -1.856   2.768   0.725
  146   1HG1  VAL  23          1HG1      VAL  23  -0.943   1.469  -1.139
  147   2HG1  VAL  23          2HG1      VAL  23  -1.434   3.079  -1.661
  148   3HG1  VAL  23          3HG1      VAL  23  -2.450   1.688  -2.032
  149   1HG2  VAL  23          1HG2      VAL  23  -4.180   3.480   0.772
  150   2HG2  VAL  23          2HG2      VAL  23  -4.427   2.849  -0.854
  151   3HG2  VAL  23          3HG2      VAL  23  -3.341   4.213  -0.598
  152    H    ASN  24           H        ASN  24  -4.987   1.065   2.172
  153    HA   ASN  24           HA       ASN  24  -6.880  -0.063   0.225
  154   1HB   ASN  24          2HB       ASN  24  -6.586  -1.182   2.460
  155   2HB   ASN  24          1HB       ASN  24  -7.222   0.269   3.220
  156   1HD2  ASN  24          1HD2      ASN  24  -8.242  -2.437   3.322
  157   2HD2  ASN  24          2HD2      ASN  24  -9.845  -2.386   2.685
  158    H    HIS  25           H        HIS  25  -8.572   1.085  -0.517
  159    HA   HIS  25           HA       HIS  25  -8.567   3.926  -0.039
  160   1HB   HIS  25          2HB       HIS  25  -9.979   2.108  -1.939
  161   2HB   HIS  25          1HB       HIS  25 -10.624   3.724  -1.672
  162    HD1  HIS  25           HD1      HIS  25  -9.646   5.518  -3.053
  163    HD2  HIS  25           HD2      HIS  25  -7.170   2.191  -2.835
  164    HE1  HIS  25           HE1      HIS  25  -7.739   5.990  -4.622
  165    HE2  HIS  25           HE2      HIS  25  -6.112   4.097  -4.224
  166    H    ASN  26           H        ASN  26 -10.479   1.209   0.987
  167    HA   ASN  26           HA       ASN  26 -12.812   2.756   1.624
  168   1HB   ASN  26          2HB       ASN  26 -12.008  -0.067   2.333
  169   2HB   ASN  26          1HB       ASN  26 -13.539   0.651   2.818
  170   1HD2  ASN  26          1HD2      ASN  26 -11.692  -0.683   0.228
  171   2HD2  ASN  26          2HD2      ASN  26 -12.965  -0.725  -0.939
  172    H    THR  27           H        THR  27 -10.125   1.405   3.458
  173    HA   THR  27           HA       THR  27 -11.112   2.570   5.924
  174    HB   THR  27           HB       THR  27  -9.139   1.536   6.932
  175    HG1  THR  27           HG1      THR  27  -7.839   0.182   5.640
  176   1HG2  THR  27          1HG2      THR  27  -9.859  -0.792   6.616
  177   2HG2  THR  27          2HG2      THR  27 -10.802  -0.288   5.210
  178   3HG2  THR  27          3HG2      THR  27 -11.225   0.304   6.818
  179    H    ARG  28           H        ARG  28  -9.017   3.309   3.348
  180    HA   ARG  28           HA       ARG  28  -7.585   4.989   2.863
  181   1HB   ARG  28          2HB       ARG  28  -8.796   6.429   5.230
  182   2HB   ARG  28          1HB       ARG  28  -7.897   7.152   3.906
  183   1HG   ARG  28          2HG       ARG  28  -9.679   6.455   2.357
  184   2HG   ARG  28          1HG       ARG  28 -10.592   5.832   3.735
  185   1HD   ARG  28          2HD       ARG  28  -9.797   8.682   3.178
  186   2HD   ARG  28          1HD       ARG  28 -11.424   8.008   3.238
  187    HE   ARG  28           HE       ARG  28  -9.894   7.798   5.696
  188   1HH1  ARG  28          1HH1      ARG  28 -12.226   9.626   3.820
  189   2HH1  ARG  28          2HH1      ARG  28 -12.847  10.486   5.202
  190   1HH2  ARG  28          1HH2      ARG  28 -10.702   8.936   7.503
  191   2HH2  ARG  28          2HH2      ARG  28 -11.960  10.118   7.290
  192    H    ILE  29           H        ILE  29  -6.103   3.235   3.775
  193    HA   ILE  29           HA       ILE  29  -4.347   4.548   5.688
  194    HB   ILE  29           HB       ILE  29  -5.829   3.042   7.035
  195   1HG1  ILE  29          2HG1      ILE  29  -2.915   2.216   6.936
  196   2HG1  ILE  29          1HG1      ILE  29  -3.546   3.628   7.778
  197   1HG2  ILE  29          1HG2      ILE  29  -6.170   1.290   5.368
  198   2HG2  ILE  29          2HG2      ILE  29  -5.542   0.622   6.873
  199   3HG2  ILE  29          3HG2      ILE  29  -4.469   0.835   5.488
  200   1HD1  ILE  29          1HD1      ILE  29  -3.122   1.832   9.332
  201   2HD1  ILE  29          2HD1      ILE  29  -4.167   0.753   8.407
  202   3HD1  ILE  29          3HD1      ILE  29  -4.855   2.151   9.234
  203    H    THR  30           H        THR  30  -2.226   3.980   5.502
  204    HA   THR  30           HA       THR  30  -1.506   2.323   3.181
  205    HB   THR  30           HB       THR  30   0.689   3.705   3.429
  206    HG1  THR  30           HG1      THR  30   0.289   5.765   4.429
  207   1HG2  THR  30          1HG2      THR  30  -0.851   3.979   1.549
  208   2HG2  THR  30          2HG2      THR  30  -0.256   5.551   2.088
  209   3HG2  THR  30          3HG2      THR  30  -1.879   5.024   2.530
  210    H    GLN  31           H        GLN  31  -0.591   0.404   3.698
  211    HA   GLN  31           HA       GLN  31   0.802   0.237   6.273
  212   1HB   GLN  31          2HB       GLN  31  -0.967  -1.789   5.014
  213   2HB   GLN  31          1HB       GLN  31   0.037  -2.121   6.408
  214   1HG   GLN  31          2HG       GLN  31  -1.174  -0.282   7.592
  215   2HG   GLN  31          1HG       GLN  31  -2.268  -0.198   6.213
  216   1HE2  GLN  31          1HE2      GLN  31  -4.052  -0.774   7.440
  217   2HE2  GLN  31          2HE2      GLN  31  -4.290  -2.377   8.038
  218    H    TRP  32           H        TRP  32   2.638  -1.015   6.418
  219    HA   TRP  32           HA       TRP  32   4.026  -1.533   3.918
  220   1HB   TRP  32          2HB       TRP  32   4.943  -2.013   6.768
  221   2HB   TRP  32          1HB       TRP  32   5.956  -2.012   5.333
  222    HD1  TRP  32           HD1      TRP  32   5.263   0.086   8.148
  223    HE1  TRP  32           HE1      TRP  32   5.806   2.554   7.685
  224    HE3  TRP  32           HE3      TRP  32   5.530  -0.077   3.046
  225    HZ2  TRP  32           HZ2      TRP  32   6.268   4.216   5.461
  226    HZ3  TRP  32           HZ3      TRP  32   6.017   2.005   1.831
  227    HH2  TRP  32           HH2      TRP  32   6.379   4.103   3.011
  228    H    GLU  33           H        GLU  33   1.809  -3.121   5.656
  229    HA   GLU  33           HA       GLU  33   3.143  -5.723   5.748
  230   1HB   GLU  33          2HB       GLU  33   0.495  -4.941   6.969
  231   2HB   GLU  33          1HB       GLU  33   1.465  -6.359   7.341
  232   1HG   GLU  33          2HG       GLU  33   2.271  -3.515   7.908
  233   2HG   GLU  33          1HG       GLU  33   1.573  -4.630   9.082
  234    H    ASP  34           H        ASP  34   2.315  -7.502   4.739
  235    HA   ASP  34           HA       ASP  34  -0.005  -7.098   2.981
  236   1HB   ASP  34          2HB       ASP  34   1.639  -7.856   1.549
  237   2HB   ASP  34          1HB       ASP  34   2.440  -8.800   2.800
  238    HA   PRO  35           HA       PRO  35  -2.379  -9.193   6.204
  239   1HB   PRO  35          2HB       PRO  35  -4.145  -9.651   3.897
  240   2HB   PRO  35          1HB       PRO  35  -4.488  -8.871   5.438
  241   1HG   PRO  35          2HG       PRO  35  -4.010  -7.611   2.978
  242   2HG   PRO  35          1HG       PRO  35  -4.107  -6.834   4.561
  243   1HD   PRO  35          2HD       PRO  35  -1.832  -7.090   2.897
  244   2HD   PRO  35          1HD       PRO  35  -1.890  -6.446   4.543
  245   1H    GLU 101          1H        GLU 101  12.851   1.354  11.691
  246   2H    GLU 101          2H        GLU 101  11.244   0.816  11.768
  247   3H    GLU 101          3H        GLU 101  12.215   0.781  13.157
  248    HA   GLU 101           HA       GLU 101  10.581   2.610  13.102
  249   1HB   GLU 101          2HB       GLU 101  13.497   3.412  13.144
  250   2HB   GLU 101          1HB       GLU 101  12.176   4.366  13.800
  251   1HG   GLU 101          2HG       GLU 101  13.230   3.284  15.615
  252   2HG   GLU 101          1HG       GLU 101  11.694   2.461  15.352
  253    H    GLU 102           H        GLU 102   9.704   2.649  10.875
  254    HA   GLU 102           HA       GLU 102  10.764   5.049   9.511
  255   1HB   GLU 102          2HB       GLU 102   9.333   2.746   8.163
  256   2HB   GLU 102          1HB       GLU 102  10.069   4.134   7.377
  257   1HG   GLU 102          2HG       GLU 102  12.264   3.356   7.923
  258   2HG   GLU 102          1HG       GLU 102  11.608   2.064   8.927
  259    HA   PRO 103           HA       PRO 103   6.476   6.330   9.995
  260   1HB   PRO 103          2HB       PRO 103   6.443   8.449   8.340
  261   2HB   PRO 103          1HB       PRO 103   7.278   8.499   9.896
  262   1HG   PRO 103          2HG       PRO 103   8.401   8.112   7.155
  263   2HG   PRO 103          1HG       PRO 103   9.038   9.070   8.503
  264   1HD   PRO 103          2HD       PRO 103   9.930   6.555   7.833
  265   2HD   PRO 103          1HD       PRO 103  10.064   7.261   9.455
  266    HA   PRO 104           HA       PRO 104   4.521   4.891   6.144
  267   1HB   PRO 104          2HB       PRO 104   2.001   5.742   7.308
  268   2HB   PRO 104          1HB       PRO 104   2.544   4.104   6.941
  269   1HG   PRO 104          2HG       PRO 104   2.201   5.039   9.482
  270   2HG   PRO 104          1HG       PRO 104   3.354   3.761   9.056
  271   1HD   PRO 104          2HD       PRO 104   3.846   6.673   9.558
  272   2HD   PRO 104          1HD       PRO 104   4.814   5.263  10.043
  273    HA   PRO 105           HA       PRO 105   3.698   9.008   4.481
  274   1HB   PRO 105          2HB       PRO 105   2.749   8.286   2.050
  275   2HB   PRO 105          1HB       PRO 105   4.472   8.238   2.439
  276   1HG   PRO 105          2HG       PRO 105   2.498   6.011   2.288
  277   2HG   PRO 105          1HG       PRO 105   4.207   6.034   1.825
  278   1HD   PRO 105          2HD       PRO 105   3.226   4.966   4.183
  279   2HD   PRO 105          1HD       PRO 105   4.900   5.496   3.933
  280    HA   PRO 106           HA       PRO 106  -0.579   9.171   5.509
  281   1HB   PRO 106          2HB       PRO 106  -0.874  11.782   4.293
  282   2HB   PRO 106          1HB       PRO 106  -0.741  11.375   6.004
  283   1HG   PRO 106          2HG       PRO 106   1.185  12.726   4.610
  284   2HG   PRO 106          1HG       PRO 106   1.517  11.739   6.043
  285   1HD   PRO 106          2HD       PRO 106   1.889  11.069   3.149
  286   2HD   PRO 106          1HD       PRO 106   2.926  10.680   4.540
  287    H    TYR 107           H        TYR 107  -2.614   8.890   4.615
  288    HA   TYR 107           HA       TYR 107  -2.638   8.268   1.817
  289   1HB   TYR 107          2HB       TYR 107  -3.903   6.828   3.288
  290   2HB   TYR 107          1HB       TYR 107  -4.863   8.183   3.873
  291    HD1  TYR 107           HD2      TYR 107  -4.172   6.039   0.953
  292    HD2  TYR 107           HD1      TYR 107  -6.742   8.984   2.627
  293    HE1  TYR 107           HE2      TYR 107  -5.770   5.674  -0.873
  294    HE2  TYR 107           HE1      TYR 107  -8.343   8.636   0.799
  295    HH   TYR 107           HH       TYR 107  -8.494   7.747  -1.382
  296    H    GLU 108           H        GLU 108  -2.395  10.003   0.637
  297    HA   GLU 108           HA       GLU 108  -4.732  11.554   0.103
  298   1HB   GLU 108          2HB       GLU 108  -3.410  12.764   2.001
  299   2HB   GLU 108          1HB       GLU 108  -2.258  13.151   0.729
  300   1HG   GLU 108          2HG       GLU 108  -3.652  15.009   0.834
  301   2HG   GLU 108          1HG       GLU 108  -4.242  14.085  -0.551
  302    H    ASP 109           H        ASP 109  -4.769  11.260  -2.038
  303    HA   ASP 109           HA       ASP 109  -2.451  10.460  -3.469
  304   1HB   ASP 109          2HB       ASP 109  -4.704   9.654  -4.061
  305   2HB   ASP 109          1HB       ASP 109  -5.145  11.284  -4.568
  Start of MODEL    2
    1    HA   PRO   5           HA       PRO   5   1.171  -9.587  -4.484
    2   1HB   PRO   5          2HB       PRO   5  -0.657 -11.877  -4.731
    3   2HB   PRO   5          1HB       PRO   5   0.437 -11.194  -5.937
    4   1HG   PRO   5          2HG       PRO   5   0.883 -13.591  -4.783
    5   2HG   PRO   5          1HG       PRO   5   2.202 -12.516  -5.277
    6   1HD   PRO   5          2HD       PRO   5   1.076 -13.010  -2.549
    7   2HD   PRO   5          1HD       PRO   5   2.765 -12.778  -3.046
    8    H    LEU   6           H        LEU   6  -0.793  -8.366  -4.486
    9    HA   LEU   6           HA       LEU   6  -1.989  -8.472  -1.847
   10   1HB   LEU   6          2HB       LEU   6  -2.860  -6.226  -2.271
   11   2HB   LEU   6          1HB       LEU   6  -1.128  -6.321  -2.441
   12    HG   LEU   6           HG       LEU   6  -1.985  -4.792  -4.065
   13   1HD1  LEU   6          1HD1      LEU   6  -1.227  -7.360  -5.442
   14   2HD1  LEU   6          2HD1      LEU   6  -0.131  -6.120  -4.833
   15   3HD1  LEU   6          3HD1      LEU   6  -1.220  -5.751  -6.169
   16   1HD2  LEU   6          1HD2      LEU   6  -4.274  -5.502  -4.186
   17   2HD2  LEU   6          2HD2      LEU   6  -3.809  -6.990  -5.014
   18   3HD2  LEU   6          3HD2      LEU   6  -3.579  -5.429  -5.806
   19    HA   PRO   7           HA       PRO   7  -5.972  -9.751  -3.407
   20   1HB   PRO   7          2HB       PRO   7  -7.215  -9.796  -1.022
   21   2HB   PRO   7          1HB       PRO   7  -5.970 -10.983  -1.421
   22   1HG   PRO   7          2HG       PRO   7  -5.856  -8.709   0.455
   23   2HG   PRO   7          1HG       PRO   7  -4.863 -10.172   0.398
   24   1HD   PRO   7          2HD       PRO   7  -4.250  -7.540  -0.622
   25   2HD   PRO   7          1HD       PRO   7  -3.211  -8.972  -0.591
   26    HA   PRO   8           HA       PRO   8  -6.651  -5.466  -3.435
   27   1HB   PRO   8          2HB       PRO   8  -7.760  -5.141  -5.873
   28   2HB   PRO   8          1HB       PRO   8  -6.069  -5.586  -5.632
   29   1HG   PRO   8          2HG       PRO   8  -8.331  -7.234  -6.574
   30   2HG   PRO   8          1HG       PRO   8  -6.595  -7.447  -6.838
   31   1HD   PRO   8          2HD       PRO   8  -8.262  -8.793  -4.941
   32   2HD   PRO   8          1HD       PRO   8  -6.510  -8.967  -5.166
   33    H    GLY   9           H        GLY   9  -8.513  -5.875  -1.670
   34   1HA   GLY   9          2HA       GLY   9 -10.354  -3.845  -2.684
   35   2HA   GLY   9          1HA       GLY   9 -10.029  -4.227  -0.980
   36    H    TRP  10           H        TRP  10  -7.233  -4.497  -1.702
   37    HA   TRP  10           HA       TRP  10  -6.281  -1.825  -1.162
   38   1HB   TRP  10          2HB       TRP  10  -4.781  -4.448  -1.423
   39   2HB   TRP  10          1HB       TRP  10  -4.161  -2.960  -0.728
   40    HD1  TRP  10           HD1      TRP  10  -6.926  -5.590   0.054
   41    HE1  TRP  10           HE1      TRP  10  -7.099  -5.802   2.619
   42    HE3  TRP  10           HE3      TRP  10  -3.540  -2.003   1.391
   43    HZ2  TRP  10           HZ2      TRP  10  -5.929  -4.630   4.889
   44    HZ3  TRP  10           HZ3      TRP  10  -3.113  -1.629   3.775
   45    HH2  TRP  10           HH2      TRP  10  -4.275  -2.925   5.490
   46    H    GLU  11           H        GLU  11  -4.720  -0.791  -2.445
   47    HA   GLU  11           HA       GLU  11  -4.332  -1.931  -5.132
   48   1HB   GLU  11          2HB       GLU  11  -3.995   0.330  -5.939
   49   2HB   GLU  11          1HB       GLU  11  -5.542   0.253  -5.101
   50   1HG   GLU  11          2HG       GLU  11  -3.905   0.941  -3.080
   51   2HG   GLU  11          1HG       GLU  11  -3.097   1.720  -4.438
   52    H    LYS  12           H        LYS  12  -2.173  -1.853  -5.919
   53    HA   LYS  12           HA       LYS  12  -0.200  -1.730  -3.796
   54   1HB   LYS  12          2HB       LYS  12  -0.370  -3.724  -5.266
   55   2HB   LYS  12          1HB       LYS  12  -0.009  -2.711  -6.658
   56   1HG   LYS  12          2HG       LYS  12   1.837  -2.736  -4.367
   57   2HG   LYS  12          1HG       LYS  12   1.859  -4.103  -5.483
   58   1HD   LYS  12          2HD       LYS  12   2.195  -1.197  -6.246
   59   2HD   LYS  12          1HD       LYS  12   3.515  -2.367  -6.083
   60   1HE   LYS  12          2HE       LYS  12   2.560  -3.724  -7.860
   61   2HE   LYS  12          1HE       LYS  12   1.196  -2.616  -7.999
   62   1HZ   LYS  12          1HZ       LYS  12   2.695  -0.884  -8.715
   63   2HZ   LYS  12          2HZ       LYS  12   2.873  -2.244  -9.713
   64   3HZ   LYS  12          3HZ       LYS  12   4.037  -1.908  -8.523
   65    H    ARG  13           H        ARG  13   0.726   0.236  -3.516
   66    HA   ARG  13           HA       ARG  13   1.458   1.745  -5.936
   67   1HB   ARG  13          2HB       ARG  13   0.495   2.887  -3.312
   68   2HB   ARG  13          1HB       ARG  13   1.205   3.842  -4.601
   69   1HG   ARG  13          2HG       ARG  13  -0.648   3.116  -6.088
   70   2HG   ARG  13          1HG       ARG  13  -1.377   2.300  -4.703
   71   1HD   ARG  13          2HD       ARG  13  -1.528   4.407  -3.507
   72   2HD   ARG  13          1HD       ARG  13  -0.725   5.246  -4.833
   73    HE   ARG  13           HE       ARG  13  -3.264   3.878  -5.375
   74   1HH1  ARG  13          1HH1      ARG  13  -1.509   6.887  -4.912
   75   2HH1  ARG  13          2HH1      ARG  13  -2.781   7.869  -5.559
   76   1HH2  ARG  13          1HH2      ARG  13  -4.929   5.175  -6.223
   77   2HH2  ARG  13          2HH2      ARG  13  -4.733   6.907  -6.297
   78    H    THR  14           H        THR  14   3.476   2.400  -6.102
   79    HA   THR  14           HA       THR  14   5.352   2.072  -3.902
   80    HB   THR  14           HB       THR  14   6.733   3.343  -5.935
   81    HG1  THR  14           HG1      THR  14   6.080   2.096  -7.839
   82   1HG2  THR  14          1HG2      THR  14   7.539   0.988  -6.520
   83   2HG2  THR  14          2HG2      THR  14   6.424   0.421  -5.274
   84   3HG2  THR  14          3HG2      THR  14   7.745   1.521  -4.854
   85    H    ASP  15           H        ASP  15   6.463   3.824  -2.958
   86    HA   ASP  15           HA       ASP  15   5.317   6.462  -3.489
   87   1HB   ASP  15          2HB       ASP  15   6.692   7.311  -1.672
   88   2HB   ASP  15          1HB       ASP  15   5.875   5.866  -1.103
   89    H    SER  16           H        SER  16   6.957   8.195  -4.109
   90    HA   SER  16           HA       SER  16   7.167   7.804  -6.679
   91   1HB   SER  16          2HB       SER  16   9.263   9.350  -5.155
   92   2HB   SER  16          1HB       SER  16   8.776   9.613  -6.832
   93    HG   SER  16           HG       SER  16   7.308  10.873  -6.041
   94    H    ASN  17           H        ASN  17  10.050   7.001  -4.628
   95    HA   ASN  17           HA       ASN  17  11.286   6.034  -7.086
   96   1HB   ASN  17          2HB       ASN  17  12.486   7.499  -5.314
   97   2HB   ASN  17          1HB       ASN  17  12.655   5.990  -4.420
   98   1HD2  ASN  17          1HD2      ASN  17  14.909   6.030  -4.635
   99   2HD2  ASN  17          2HD2      ASN  17  15.685   5.684  -6.143
  100    H    GLY  18           H        GLY  18  11.410   4.726  -3.782
  101   1HA   GLY  18          2HA       GLY  18  11.844   2.126  -4.991
  102   2HA   GLY  18          1HA       GLY  18  12.248   2.577  -3.358
  103    H    ARG  19           H        ARG  19   9.468   3.370  -2.575
  104    HA   ARG  19           HA       ARG  19   9.413   0.586  -1.640
  105   1HB   ARG  19          2HB       ARG  19   8.232   3.068  -0.437
  106   2HB   ARG  19          1HB       ARG  19   8.140   1.476   0.283
  107   1HG   ARG  19          2HG       ARG  19  10.528   1.415   0.562
  108   2HG   ARG  19          1HG       ARG  19  10.690   2.964  -0.275
  109   1HD   ARG  19          2HD       ARG  19   8.998   2.630   2.181
  110   2HD   ARG  19          1HD       ARG  19  10.719   3.024   2.273
  111    HE   ARG  19           HE       ARG  19   9.298   4.791   0.533
  112   1HH1  ARG  19          1HH1      ARG  19   9.927   4.117   3.932
  113   2HH1  ARG  19          2HH1      ARG  19   9.695   5.772   4.409
  114   1HH2  ARG  19          1HH2      ARG  19   8.988   6.920   1.157
  115   2HH2  ARG  19          2HH2      ARG  19   9.182   7.387   2.830
  116    H    VAL  20           H        VAL  20   7.884  -0.766  -1.954
  117    HA   VAL  20           HA       VAL  20   5.284   0.094  -2.947
  118    HB   VAL  20           HB       VAL  20   6.246  -1.735  -4.186
  119   1HG1  VAL  20          1HG1      VAL  20   7.771  -2.623  -2.517
  120   2HG1  VAL  20          2HG1      VAL  20   6.750  -3.907  -3.163
  121   3HG1  VAL  20          3HG1      VAL  20   6.411  -3.228  -1.572
  122   1HG2  VAL  20          1HG2      VAL  20   3.832  -1.774  -3.887
  123   2HG2  VAL  20          2HG2      VAL  20   4.017  -2.713  -2.405
  124   3HG2  VAL  20          3HG2      VAL  20   4.475  -3.415  -3.958
  125    H    TYR  21           H        TYR  21   3.539   0.097  -1.721
  126    HA   TYR  21           HA       TYR  21   3.441  -1.425   0.721
  127   1HB   TYR  21          2HB       TYR  21   2.723   0.568   2.051
  128   2HB   TYR  21          1HB       TYR  21   4.411   0.584   1.567
  129    HD1  TYR  21           HD1      TYR  21   1.067   1.976   0.609
  130    HD2  TYR  21           HD2      TYR  21   5.301   2.416   0.491
  131    HE1  TYR  21           HE1      TYR  21   0.808   4.230  -0.346
  132    HE2  TYR  21           HE2      TYR  21   5.060   4.655  -0.455
  133    HH   TYR  21           HH       TYR  21   3.453   5.976  -1.666
  134    H    PHE  22           H        PHE  22   1.308  -1.642   1.600
  135    HA   PHE  22           HA       PHE  22  -0.562  -1.762  -0.628
  136   1HB   PHE  22          2HB       PHE  22  -0.775  -2.958   2.151
  137   2HB   PHE  22          1HB       PHE  22  -1.829  -3.309   0.783
  138    HD1  PHE  22           HD2      PHE  22  -0.922  -4.516  -1.195
  139    HD2  PHE  22           HD1      PHE  22   1.305  -4.036   2.401
  140    HE1  PHE  22           HE2      PHE  22   0.600  -6.320  -1.897
  141    HE2  PHE  22           HE1      PHE  22   2.830  -5.834   1.702
  142    HZ   PHE  22           HZ       PHE  22   2.474  -6.982  -0.447
  143    H    VAL  23           H        VAL  23  -1.947  -0.265  -0.905
  144    HA   VAL  23           HA       VAL  23  -2.842   1.370   1.363
  145    HB   VAL  23           HB       VAL  23  -1.633   2.910   0.173
  146   1HG1  VAL  23          1HG1      VAL  23  -2.389   1.479  -2.376
  147   2HG1  VAL  23          2HG1      VAL  23  -0.826   1.436  -1.562
  148   3HG1  VAL  23          3HG1      VAL  23  -1.398   2.934  -2.294
  149   1HG2  VAL  23          1HG2      VAL  23  -3.070   4.370  -1.019
  150   2HG2  VAL  23          2HG2      VAL  23  -4.061   3.570   0.204
  151   3HG2  VAL  23          3HG2      VAL  23  -4.145   3.050  -1.477
  152    H    ASN  24           H        ASN  24  -5.024   1.825   1.516
  153    HA   ASN  24           HA       ASN  24  -6.784   0.628  -0.508
  154   1HB   ASN  24          2HB       ASN  24  -6.391  -0.942   1.417
  155   2HB   ASN  24          1HB       ASN  24  -7.131   0.256   2.473
  156   1HD2  ASN  24          1HD2      ASN  24  -7.912  -2.475   1.879
  157   2HD2  ASN  24          2HD2      ASN  24  -9.532  -2.392   1.282
  158    H    HIS  25           H        HIS  25  -8.299   2.027  -1.128
  159    HA   HIS  25           HA       HIS  25  -8.565   4.574   0.141
  160   1HB   HIS  25          2HB       HIS  25 -10.177   3.293  -2.077
  161   2HB   HIS  25          1HB       HIS  25 -10.421   4.940  -1.516
  162    HD1  HIS  25           HD1      HIS  25  -8.221   6.527  -1.794
  163    HD2  HIS  25           HD2      HIS  25  -8.335   3.047  -4.035
  164    HE1  HIS  25           HE1      HIS  25  -6.510   6.835  -3.608
  165    HE2  HIS  25           HE2      HIS  25  -6.397   4.583  -4.737
  166    H    ASN  26           H        ASN  26 -10.369   1.583   0.232
  167    HA   ASN  26           HA       ASN  26 -12.791   2.705   1.226
  168   1HB   ASN  26          2HB       ASN  26 -12.410   0.418   0.071
  169   2HB   ASN  26          1HB       ASN  26 -11.937  -0.148   1.668
  170   1HD2  ASN  26          1HD2      ASN  26 -13.483  -0.383   3.267
  171   2HD2  ASN  26          2HD2      ASN  26 -15.175  -0.295   2.930
  172    H    THR  27           H        THR  27  -9.910   1.326   2.701
  173    HA   THR  27           HA       THR  27 -10.979   1.703   5.378
  174    HB   THR  27           HB       THR  27  -8.888   0.782   6.162
  175    HG1  THR  27           HG1      THR  27  -7.186   0.836   4.908
  176   1HG2  THR  27          1HG2      THR  27 -10.663  -0.777   5.541
  177   2HG2  THR  27          2HG2      THR  27  -9.078  -1.468   5.201
  178   3HG2  THR  27          3HG2      THR  27 -10.057  -0.820   3.886
  179    H    ARG  28           H        ARG  28  -8.988   3.330   3.090
  180    HA   ARG  28           HA       ARG  28  -7.943   5.340   3.060
  181   1HB   ARG  28          2HB       ARG  28  -9.371   5.744   5.698
  182   2HB   ARG  28          1HB       ARG  28  -8.469   6.998   4.856
  183   1HG   ARG  28          2HG       ARG  28  -9.991   6.923   2.999
  184   2HG   ARG  28          1HG       ARG  28 -10.841   5.545   3.703
  185   1HD   ARG  28          2HD       ARG  28 -10.655   8.304   4.914
  186   2HD   ARG  28          1HD       ARG  28 -12.043   7.657   4.043
  187    HE   ARG  28           HE       ARG  28 -11.077   6.305   6.461
  188   1HH1  ARG  28          1HH1      ARG  28 -13.580   8.055   4.750
  189   2HH1  ARG  28          2HH1      ARG  28 -14.802   7.744   5.953
  190   1HH2  ARG  28          1HH2      ARG  28 -12.678   5.902   8.065
  191   2HH2  ARG  28          2HH2      ARG  28 -14.280   6.532   7.830
  192    H    ILE  29           H        ILE  29  -6.628   3.036   4.009
  193    HA   ILE  29           HA       ILE  29  -4.758   4.160   5.989
  194    HB   ILE  29           HB       ILE  29  -5.839   1.331   5.926
  195   1HG1  ILE  29          2HG1      ILE  29  -6.070   3.467   8.059
  196   2HG1  ILE  29          1HG1      ILE  29  -7.345   3.051   6.920
  197   1HG2  ILE  29          1HG2      ILE  29  -4.458   0.946   7.931
  198   2HG2  ILE  29          2HG2      ILE  29  -3.732   2.538   7.713
  199   3HG2  ILE  29          3HG2      ILE  29  -3.487   1.282   6.497
  200   1HD1  ILE  29          1HD1      ILE  29  -6.157   1.222   8.993
  201   2HD1  ILE  29          2HD1      ILE  29  -7.422   0.792   7.844
  202   3HD1  ILE  29          3HD1      ILE  29  -7.730   2.016   9.077
  203    H    THR  30           H        THR  30  -2.630   3.793   5.633
  204    HA   THR  30           HA       THR  30  -1.869   2.092   3.358
  205    HB   THR  30           HB       THR  30   0.288   3.554   3.494
  206    HG1  THR  30           HG1      THR  30   0.189   5.230   4.782
  207   1HG2  THR  30          1HG2      THR  30  -0.692   5.223   1.987
  208   2HG2  THR  30          2HG2      THR  30  -2.309   4.720   2.482
  209   3HG2  THR  30          3HG2      THR  30  -1.266   3.598   1.609
  210    H    GLN  31           H        GLN  31  -1.096   0.190   4.105
  211    HA   GLN  31           HA       GLN  31   0.497   0.236   6.588
  212   1HB   GLN  31          2HB       GLN  31  -1.419  -1.892   5.644
  213   2HB   GLN  31          1HB       GLN  31  -0.319  -2.086   6.995
  214   1HG   GLN  31          2HG       GLN  31  -1.417  -0.137   8.082
  215   2HG   GLN  31          1HG       GLN  31  -2.606  -0.161   6.779
  216   1HE2  GLN  31          1HE2      GLN  31  -2.927  -0.591   9.670
  217   2HE2  GLN  31          2HE2      GLN  31  -3.666  -2.152   9.824
  218    H    TRP  32           H        TRP  32   2.249  -1.147   6.767
  219    HA   TRP  32           HA       TRP  32   3.574  -1.852   4.326
  220   1HB   TRP  32          2HB       TRP  32   4.314  -2.474   7.196
  221   2HB   TRP  32          1HB       TRP  32   5.357  -2.723   5.804
  222    HD1  TRP  32           HD1      TRP  32   4.859  -0.362   8.496
  223    HE1  TRP  32           HE1      TRP  32   5.923   1.924   7.974
  224    HE3  TRP  32           HE3      TRP  32   5.560  -0.918   3.456
  225    HZ2  TRP  32           HZ2      TRP  32   6.923   3.311   5.722
  226    HZ3  TRP  32           HZ3      TRP  32   6.573   0.937   2.195
  227    HH2  TRP  32           HH2      TRP  32   7.238   3.007   3.305
  228    H    GLU  33           H        GLU  33   1.446  -3.437   6.496
  229    HA   GLU  33           HA       GLU  33   2.445  -6.104   5.904
  230   1HB   GLU  33          2HB       GLU  33   0.215  -5.147   7.703
  231   2HB   GLU  33          1HB       GLU  33   0.662  -6.833   7.495
  232   1HG   GLU  33          2HG       GLU  33   2.481  -4.683   8.558
  233   2HG   GLU  33          1HG       GLU  33   1.583  -5.840   9.541
  234    H    ASP  34           H        ASP  34   1.460  -7.576   4.657
  235    HA   ASP  34           HA       ASP  34  -1.000  -6.778   3.264
  236   1HB   ASP  34          2HB       ASP  34   0.831  -7.392   1.778
  237   2HB   ASP  34          1HB       ASP  34   1.022  -8.933   2.611
  238    HA   PRO  35           HA       PRO  35  -3.456  -9.252   6.031
  239   1HB   PRO  35          2HB       PRO  35  -5.046  -9.405   3.513
  240   2HB   PRO  35          1HB       PRO  35  -5.565  -9.034   5.158
  241   1HG   PRO  35          2HG       PRO  35  -5.223  -7.113   3.328
  242   2HG   PRO  35          1HG       PRO  35  -4.856  -6.852   5.040
  243   1HD   PRO  35          2HD       PRO  35  -3.028  -7.124   2.746
  244   2HD   PRO  35          1HD       PRO  35  -2.761  -6.350   4.312
  245   1H    GLU 101          1H        GLU 101  10.798   0.420   9.518
  246   2H    GLU 101          2H        GLU 101  10.610   0.744  11.174
  247   3H    GLU 101          3H        GLU 101  11.512  -0.596  10.670
  248    HA   GLU 101           HA       GLU 101  12.957   1.165  11.411
  249   1HB   GLU 101          2HB       GLU 101  13.750  -0.343   9.670
  250   2HB   GLU 101          1HB       GLU 101  13.004   0.654   8.430
  251   1HG   GLU 101          2HG       GLU 101  14.521   2.493   9.017
  252   2HG   GLU 101          1HG       GLU 101  15.279   1.460  10.229
  253    H    GLU 102           H        GLU 102  11.710   2.183   8.244
  254    HA   GLU 102           HA       GLU 102  11.964   4.960   9.093
  255   1HB   GLU 102          2HB       GLU 102  11.160   5.030   6.459
  256   2HB   GLU 102          1HB       GLU 102  12.815   5.145   7.034
  257   1HG   GLU 102          2HG       GLU 102  12.771   3.543   5.296
  258   2HG   GLU 102          1HG       GLU 102  12.986   2.668   6.809
  259    HA   PRO 103           HA       PRO 103   7.655   5.356   9.665
  260   1HB   PRO 103          2HB       PRO 103   7.692   8.175   8.998
  261   2HB   PRO 103          1HB       PRO 103   7.613   7.424  10.594
  262   1HG   PRO 103          2HG       PRO 103   9.776   8.828   9.692
  263   2HG   PRO 103          1HG       PRO 103   9.871   7.538  10.902
  264   1HD   PRO 103          2HD       PRO 103  10.492   7.434   7.973
  265   2HD   PRO 103          1HD       PRO 103  11.347   6.680   9.337
  266    HA   PRO 104           HA       PRO 104   5.780   5.014   5.766
  267   1HB   PRO 104          2HB       PRO 104   3.181   5.064   6.462
  268   2HB   PRO 104          1HB       PRO 104   4.249   3.742   6.949
  269   1HG   PRO 104          2HG       PRO 104   3.317   6.107   8.524
  270   2HG   PRO 104          1HG       PRO 104   3.474   4.416   9.032
  271   1HD   PRO 104          2HD       PRO 104   5.321   6.355   9.601
  272   2HD   PRO 104          1HD       PRO 104   5.711   4.630   9.469
  273    HA   PRO 105           HA       PRO 105   4.507   9.028   4.265
  274   1HB   PRO 105          2HB       PRO 105   3.564   7.748   1.842
  275   2HB   PRO 105          1HB       PRO 105   5.004   8.741   2.066
  276   1HG   PRO 105          2HG       PRO 105   5.086   6.065   1.530
  277   2HG   PRO 105          1HG       PRO 105   6.359   6.932   2.407
  278   1HD   PRO 105          2HD       PRO 105   4.143   5.222   3.477
  279   2HD   PRO 105          1HD       PRO 105   5.840   5.327   3.994
  280    HA   PRO 106           HA       PRO 106   0.305   8.915   5.315
  281   1HB   PRO 106          2HB       PRO 106  -0.221  11.468   4.084
  282   2HB   PRO 106          1HB       PRO 106   0.055  11.106   5.787
  283   1HG   PRO 106          2HG       PRO 106   1.791  12.540   4.224
  284   2HG   PRO 106          1HG       PRO 106   2.280  11.624   5.660
  285   1HD   PRO 106          2HD       PRO 106   2.496  10.882   2.770
  286   2HD   PRO 106          1HD       PRO 106   3.652  10.610   4.093
  287    H    TYR 107           H        TYR 107  -1.719   8.463   4.614
  288    HA   TYR 107           HA       TYR 107  -2.162   7.965   1.823
  289   1HB   TYR 107          2HB       TYR 107  -3.163   6.432   3.379
  290   2HB   TYR 107          1HB       TYR 107  -3.946   7.740   4.261
  291    HD1  TYR 107           HD2      TYR 107  -3.962   5.830   1.106
  292    HD2  TYR 107           HD1      TYR 107  -6.038   8.609   3.554
  293    HE1  TYR 107           HE2      TYR 107  -5.957   5.568  -0.317
  294    HE2  TYR 107           HE1      TYR 107  -8.039   8.373   2.150
  295    HH   TYR 107           HH       TYR 107  -8.654   7.715  -0.068
  296    H    GLU 108           H        GLU 108  -3.129   9.278   0.374
  297    HA   GLU 108           HA       GLU 108  -4.843  11.429   1.273
  298   1HB   GLU 108          2HB       GLU 108  -3.502  13.110  -0.095
  299   2HB   GLU 108          1HB       GLU 108  -2.830  12.631   1.457
  300   1HG   GLU 108          2HG       GLU 108  -1.292  11.130   0.364
  301   2HG   GLU 108          1HG       GLU 108  -2.011  11.496  -1.203
  302    H    ASP 109           H        ASP 109  -6.572  11.095   0.064
  303    HA   ASP 109           HA       ASP 109  -6.518  11.664  -2.702
  304   1HB   ASP 109          2HB       ASP 109  -5.809   9.273  -2.826
  305   2HB   ASP 109          1HB       ASP 109  -7.310   8.830  -2.022
  Start of MODEL    3
    1    HA   PRO   5           HA       PRO   5   0.377  -9.788  -4.801
    2   1HB   PRO   5          2HB       PRO   5  -0.823 -12.344  -3.954
    3   2HB   PRO   5          1HB       PRO   5  -0.423 -11.771  -5.571
    4   1HG   PRO   5          2HG       PRO   5   1.067 -13.563  -3.961
    5   2HG   PRO   5          1HG       PRO   5   1.538 -12.872  -5.520
    6   1HD   PRO   5          2HD       PRO   5   2.745 -12.368  -3.041
    7   2HD   PRO   5          1HD       PRO   5   2.983 -11.440  -4.533
    8    H    LEU   6           H        LEU   6  -1.118  -8.339  -4.199
    9    HA   LEU   6           HA       LEU   6  -2.384  -8.657  -1.614
   10   1HB   LEU   6          2HB       LEU   6  -3.178  -6.350  -1.867
   11   2HB   LEU   6          1HB       LEU   6  -1.444  -6.494  -1.972
   12    HG   LEU   6           HG       LEU   6  -2.225  -4.792  -3.492
   13   1HD1  LEU   6          1HD1      LEU   6  -1.363  -7.229  -5.034
   14   2HD1  LEU   6          2HD1      LEU   6  -0.309  -6.061  -4.238
   15   3HD1  LEU   6          3HD1      LEU   6  -1.301  -5.562  -5.609
   16   1HD2  LEU   6          1HD2      LEU   6  -3.695  -5.268  -5.376
   17   2HD2  LEU   6          2HD2      LEU   6  -4.498  -5.527  -3.827
   18   3HD2  LEU   6          3HD2      LEU   6  -3.941  -6.908  -4.772
   19    HA   PRO   7           HA       PRO   7  -6.381  -9.578  -3.368
   20   1HB   PRO   7          2HB       PRO   7  -7.720  -9.552  -0.999
   21   2HB   PRO   7          1HB       PRO   7  -6.607 -10.849  -1.441
   22   1HG   PRO   7          2HG       PRO   7  -6.308  -8.799   0.611
   23   2HG   PRO   7          1HG       PRO   7  -5.341 -10.252   0.344
   24   1HD   PRO   7          2HD       PRO   7  -4.802  -7.491  -0.469
   25   2HD   PRO   7          1HD       PRO   7  -3.687  -8.870  -0.416
   26    HA   PRO   8           HA       PRO   8  -6.886  -5.274  -3.443
   27   1HB   PRO   8          2HB       PRO   8  -7.958  -4.915  -5.868
   28   2HB   PRO   8          1HB       PRO   8  -6.324  -5.543  -5.636
   29   1HG   PRO   8          2HG       PRO   8  -8.799  -6.976  -6.428
   30   2HG   PRO   8          1HG       PRO   8  -7.114  -7.321  -6.844
   31   1HD   PRO   8          2HD       PRO   8  -8.672  -8.577  -4.832
   32   2HD   PRO   8          1HD       PRO   8  -6.932  -8.782  -5.127
   33    H    GLY   9           H        GLY   9  -8.796  -5.515  -1.661
   34   1HA   GLY   9          2HA       GLY   9 -10.436  -3.346  -2.735
   35   2HA   GLY   9          1HA       GLY   9 -10.168  -3.716  -1.019
   36    H    TRP  10           H        TRP  10  -7.403  -4.275  -1.782
   37    HA   TRP  10           HA       TRP  10  -6.170  -1.716  -1.242
   38   1HB   TRP  10          2HB       TRP  10  -4.970  -4.483  -1.571
   39   2HB   TRP  10          1HB       TRP  10  -4.173  -3.080  -0.874
   40    HD1  TRP  10           HD1      TRP  10  -7.112  -5.489  -0.073
   41    HE1  TRP  10           HE1      TRP  10  -7.264  -5.711   2.484
   42    HE3  TRP  10           HE3      TRP  10  -3.516  -2.119   1.234
   43    HZ2  TRP  10           HZ2      TRP  10  -6.005  -4.619   4.757
   44    HZ3  TRP  10           HZ3      TRP  10  -3.038  -1.768   3.612
   45    HH2  TRP  10           HH2      TRP  10  -4.250  -3.006   5.341
   46    H    GLU  11           H        GLU  11  -4.539  -0.845  -2.596
   47    HA   GLU  11           HA       GLU  11  -4.224  -2.134  -5.215
   48   1HB   GLU  11          2HB       GLU  11  -3.955   0.055  -6.230
   49   2HB   GLU  11          1HB       GLU  11  -5.500  -0.001  -5.387
   50   1HG   GLU  11          2HG       GLU  11  -4.257   0.999  -3.426
   51   2HG   GLU  11          1HG       GLU  11  -2.978   1.368  -4.573
   52    H    LYS  12           H        LYS  12  -2.072  -2.057  -6.031
   53    HA   LYS  12           HA       LYS  12  -0.111  -1.820  -3.920
   54   1HB   LYS  12          2HB       LYS  12  -0.220  -3.816  -5.394
   55   2HB   LYS  12          1HB       LYS  12   0.128  -2.798  -6.783
   56   1HG   LYS  12          2HG       LYS  12   1.945  -2.830  -4.460
   57   2HG   LYS  12          1HG       LYS  12   2.026  -4.138  -5.644
   58   1HD   LYS  12          2HD       LYS  12   2.303  -1.187  -6.234
   59   2HD   LYS  12          1HD       LYS  12   3.644  -2.337  -6.125
   60   1HE   LYS  12          2HE       LYS  12   2.672  -3.618  -7.995
   61   2HE   LYS  12          1HE       LYS  12   1.375  -2.433  -8.114
   62   1HZ   LYS  12          1HZ       LYS  12   3.065  -1.997  -9.749
   63   2HZ   LYS  12          2HZ       LYS  12   4.266  -1.912  -8.556
   64   3HZ   LYS  12          3HZ       LYS  12   3.041  -0.734  -8.617
   65    H    ARG  13           H        ARG  13   0.663   0.236  -3.638
   66    HA   ARG  13           HA       ARG  13   1.436   1.718  -6.066
   67   1HB   ARG  13          2HB       ARG  13   0.384   2.878  -3.482
   68   2HB   ARG  13          1HB       ARG  13   1.093   3.829  -4.774
   69   1HG   ARG  13          2HG       ARG  13  -0.696   2.935  -6.290
   70   2HG   ARG  13          1HG       ARG  13  -1.455   2.241  -4.857
   71   1HD   ARG  13          2HD       ARG  13  -1.678   4.446  -3.870
   72   2HD   ARG  13          1HD       ARG  13  -0.836   5.167  -5.237
   73    HE   ARG  13           HE       ARG  13  -3.232   3.662  -5.884
   74   1HH1  ARG  13          1HH1      ARG  13  -1.955   6.845  -5.116
   75   2HH1  ARG  13          2HH1      ARG  13  -3.259   7.676  -5.899
   76   1HH2  ARG  13          1HH2      ARG  13  -4.921   4.731  -6.860
   77   2HH2  ARG  13          2HH2      ARG  13  -4.967   6.472  -6.897
   78    H    THR  14           H        THR  14   3.422   2.514  -6.180
   79    HA   THR  14           HA       THR  14   5.315   1.991  -4.044
   80    HB   THR  14           HB       THR  14   6.670   3.390  -6.023
   81    HG1  THR  14           HG1      THR  14   5.350   3.312  -7.701
   82   1HG2  THR  14          1HG2      THR  14   7.420   1.327  -4.907
   83   2HG2  THR  14          2HG2      THR  14   7.628   1.256  -6.656
   84   3HG2  THR  14          3HG2      THR  14   6.287   0.398  -5.891
   85    H    ASP  15           H        ASP  15   6.460   3.618  -2.944
   86    HA   ASP  15           HA       ASP  15   5.520   6.353  -3.358
   87   1HB   ASP  15          2HB       ASP  15   6.896   7.027  -1.476
   88   2HB   ASP  15          1HB       ASP  15   5.916   5.651  -0.996
   89    H    SER  16           H        SER  16   7.450   8.002  -3.763
   90    HA   SER  16           HA       SER  16   7.213   7.792  -6.367
   91   1HB   SER  16          2HB       SER  16   8.128   9.757  -5.199
   92   2HB   SER  16          1HB       SER  16   9.697   8.957  -5.102
   93    HG   SER  16           HG       SER  16   8.599  10.334  -7.147
   94    H    ASN  17           H        ASN  17  10.327   6.593  -4.901
   95    HA   ASN  17           HA       ASN  17  10.938   5.585  -7.575
   96   1HB   ASN  17          2HB       ASN  17  12.660   5.606  -5.095
   97   2HB   ASN  17          1HB       ASN  17  13.179   5.092  -6.695
   98   1HD2  ASN  17          1HD2      ASN  17  12.435   7.767  -4.648
   99   2HD2  ASN  17          2HD2      ASN  17  13.010   9.005  -5.712
  100    H    GLY  18           H        GLY  18  11.530   4.136  -4.388
  101   1HA   GLY  18          2HA       GLY  18  11.630   1.588  -5.783
  102   2HA   GLY  18          1HA       GLY  18  12.341   1.939  -4.229
  103    H    ARG  19           H        ARG  19   9.792   2.938  -3.072
  104    HA   ARG  19           HA       ARG  19   9.566   0.212  -2.052
  105   1HB   ARG  19          2HB       ARG  19  10.313   1.979  -0.552
  106   2HB   ARG  19          1HB       ARG  19   8.803   2.840  -0.814
  107   1HG   ARG  19          2HG       ARG  19   7.615   0.852   0.150
  108   2HG   ARG  19          1HG       ARG  19   9.204   0.233   0.615
  109   1HD   ARG  19          2HD       ARG  19   8.126   2.934   1.404
  110   2HD   ARG  19          1HD       ARG  19   8.042   1.496   2.422
  111    HE   ARG  19           HE       ARG  19  10.437   1.529   2.575
  112   1HH1  ARG  19          1HH1      ARG  19   9.050   4.330   0.987
  113   2HH1  ARG  19          2HH1      ARG  19  10.384   5.375   1.394
  114   1HH2  ARG  19          1HH2      ARG  19  12.183   2.911   3.116
  115   2HH2  ARG  19          2HH2      ARG  19  12.155   4.575   2.616
  116    H    VAL  20           H        VAL  20   7.814  -0.957  -1.958
  117    HA   VAL  20           HA       VAL  20   5.295   0.160  -2.957
  118    HB   VAL  20           HB       VAL  20   6.148  -2.724  -2.599
  119   1HG1  VAL  20          1HG1      VAL  20   3.589  -1.595  -3.736
  120   2HG1  VAL  20          2HG1      VAL  20   3.758  -2.483  -2.221
  121   3HG1  VAL  20          3HG1      VAL  20   4.060  -3.294  -3.757
  122   1HG2  VAL  20          1HG2      VAL  20   6.098  -2.813  -5.047
  123   2HG2  VAL  20          2HG2      VAL  20   7.273  -1.635  -4.462
  124   3HG2  VAL  20          3HG2      VAL  20   5.721  -1.091  -5.101
  125    H    TYR  21           H        TYR  21   3.594   0.386  -1.674
  126    HA   TYR  21           HA       TYR  21   3.482  -1.134   0.806
  127   1HB   TYR  21          2HB       TYR  21   2.457   0.843   1.939
  128   2HB   TYR  21          1HB       TYR  21   4.146   1.069   1.512
  129    HD1  TYR  21           HD2      TYR  21   0.679   2.007   0.639
  130    HD2  TYR  21           HD1      TYR  21   4.820   2.779  -0.009
  131    HE1  TYR  21           HE2      TYR  21   0.106   4.101  -0.513
  132    HE2  TYR  21           HE1      TYR  21   4.250   4.876  -1.156
  133    HH   TYR  21           HH       TYR  21   1.159   6.265  -1.030
  134    H    PHE  22           H        PHE  22   1.342  -1.625   1.520
  135    HA   PHE  22           HA       PHE  22  -0.479  -1.839  -0.748
  136   1HB   PHE  22          2HB       PHE  22  -0.661  -3.037   2.035
  137   2HB   PHE  22          1HB       PHE  22  -1.737  -3.401   0.689
  138    HD1  PHE  22           HD1      PHE  22  -0.877  -4.646  -1.280
  139    HD2  PHE  22           HD2      PHE  22   1.459  -4.062   2.235
  140    HE1  PHE  22           HE1      PHE  22   0.641  -6.451  -1.988
  141    HE2  PHE  22           HE2      PHE  22   2.980  -5.865   1.532
  142    HZ   PHE  22           HZ       PHE  22   2.572  -7.062  -0.581
  143    H    VAL  23           H        VAL  23  -1.980  -0.388  -1.037
  144    HA   VAL  23           HA       VAL  23  -2.806   1.248   1.259
  145    HB   VAL  23           HB       VAL  23  -1.465   2.669  -0.031
  146   1HG1  VAL  23          1HG1      VAL  23  -1.632   2.910  -2.482
  147   2HG1  VAL  23          2HG1      VAL  23  -2.819   1.605  -2.507
  148   3HG1  VAL  23          3HG1      VAL  23  -1.165   1.278  -1.991
  149   1HG2  VAL  23          1HG2      VAL  23  -3.579   3.689   0.530
  150   2HG2  VAL  23          2HG2      VAL  23  -4.283   3.124  -0.984
  151   3HG2  VAL  23          3HG2      VAL  23  -2.981   4.314  -1.005
  152    H    ASN  24           H        ASN  24  -4.930   1.499   1.624
  153    HA   ASN  24           HA       ASN  24  -6.802   0.257  -0.297
  154   1HB   ASN  24          2HB       ASN  24  -6.500  -1.187   1.627
  155   2HB   ASN  24          1HB       ASN  24  -6.789   0.152   2.728
  156   1HD2  ASN  24          1HD2      ASN  24  -8.435  -0.989   3.736
  157   2HD2  ASN  24          2HD2      ASN  24  -9.986  -1.229   3.004
  158    H    HIS  25           H        HIS  25  -8.726   1.290  -0.699
  159    HA   HIS  25           HA       HIS  25  -8.869   4.076   0.126
  160   1HB   HIS  25          2HB       HIS  25 -10.432   2.458  -1.884
  161   2HB   HIS  25          1HB       HIS  25 -10.882   4.103  -1.451
  162    HD1  HIS  25           HD1      HIS  25  -9.553   6.003  -2.504
  163    HD2  HIS  25           HD2      HIS  25  -7.949   2.240  -3.264
  164    HE1  HIS  25           HE1      HIS  25  -7.777   6.357  -4.246
  165    HE2  HIS  25           HE2      HIS  25  -6.626   4.115  -4.431
  166    H    ASN  26           H        ASN  26 -10.462   1.071   0.857
  167    HA   ASN  26           HA       ASN  26 -12.907   2.182   1.777
  168   1HB   ASN  26          2HB       ASN  26 -11.570  -0.462   2.340
  169   2HB   ASN  26          1HB       ASN  26 -13.135  -0.027   3.013
  170   1HD2  ASN  26          1HD2      ASN  26 -14.902   0.250   1.622
  171   2HD2  ASN  26          2HD2      ASN  26 -14.915  -0.457   0.038
  172    H    THR  27           H        THR  27 -10.043   1.047   3.567
  173    HA   THR  27           HA       THR  27 -11.046   2.245   6.009
  174    HB   THR  27           HB       THR  27  -8.976   1.415   7.018
  175    HG1  THR  27           HG1      THR  27  -7.436   0.486   5.822
  176   1HG2  THR  27          1HG2      THR  27  -9.522  -0.970   6.855
  177   2HG2  THR  27          2HG2      THR  27 -10.510  -0.637   5.433
  178   3HG2  THR  27          3HG2      THR  27 -10.976   0.021   7.001
  179    H    ARG  28           H        ARG  28  -9.060   3.084   3.382
  180    HA   ARG  28           HA       ARG  28  -7.658   4.770   2.878
  181   1HB   ARG  28          2HB       ARG  28  -9.258   6.161   5.034
  182   2HB   ARG  28          1HB       ARG  28  -8.053   6.975   4.040
  183   1HG   ARG  28          2HG       ARG  28  -9.375   6.107   2.036
  184   2HG   ARG  28          1HG       ARG  28 -10.661   5.765   3.192
  185   1HD   ARG  28          2HD       ARG  28  -9.370   8.463   2.869
  186   2HD   ARG  28          1HD       ARG  28 -10.827   7.969   2.013
  187    HE   ARG  28           HE       ARG  28 -11.274   7.554   4.727
  188   1HH1  ARG  28          1HH1      ARG  28 -10.589  10.228   2.570
  189   2HH1  ARG  28          2HH1      ARG  28 -11.579  11.361   3.450
  190   1HH2  ARG  28          1HH2      ARG  28 -12.561   9.052   5.917
  191   2HH2  ARG  28          2HH2      ARG  28 -12.662  10.704   5.377
  192    H    ILE  29           H        ILE  29  -6.031   3.269   3.732
  193    HA   ILE  29           HA       ILE  29  -4.380   4.644   5.683
  194    HB   ILE  29           HB       ILE  29  -5.840   2.981   6.961
  195   1HG1  ILE  29          2HG1      ILE  29  -2.845   2.536   7.067
  196   2HG1  ILE  29          1HG1      ILE  29  -3.690   3.880   7.827
  197   1HG2  ILE  29          1HG2      ILE  29  -5.342   0.646   6.822
  198   2HG2  ILE  29          2HG2      ILE  29  -4.022   0.934   5.690
  199   3HG2  ILE  29          3HG2      ILE  29  -5.696   1.214   5.189
  200   1HD1  ILE  29          1HD1      ILE  29  -4.008   0.961   8.500
  201   2HD1  ILE  29          2HD1      ILE  29  -4.904   2.285   9.246
  202   3HD1  ILE  29          3HD1      ILE  29  -3.156   2.176   9.454
  203    H    THR  30           H        THR  30  -2.206   4.133   5.534
  204    HA   THR  30           HA       THR  30  -1.413   2.458   3.249
  205    HB   THR  30           HB       THR  30   0.792   3.795   3.579
  206    HG1  THR  30           HG1      THR  30   0.484   5.807   4.622
  207   1HG2  THR  30          1HG2      THR  30  -1.704   5.196   2.607
  208   2HG2  THR  30          2HG2      THR  30  -0.705   4.094   1.661
  209   3HG2  THR  30          3HG2      THR  30  -0.048   5.641   2.195
  210    H    GLN  31           H        GLN  31  -0.839   0.451   3.968
  211    HA   GLN  31           HA       GLN  31   0.443   0.294   6.621
  212   1HB   GLN  31          2HB       GLN  31  -1.218  -1.827   5.246
  213   2HB   GLN  31          1HB       GLN  31  -0.529  -1.922   6.854
  214   1HG   GLN  31          2HG       GLN  31  -1.922   0.056   7.478
  215   2HG   GLN  31          1HG       GLN  31  -2.724  -0.113   5.919
  216   1HE2  GLN  31          1HE2      GLN  31  -1.632  -2.720   8.053
  217   2HE2  GLN  31          2HE2      GLN  31  -3.214  -3.348   8.358
  218    H    TRP  32           H        TRP  32   2.137  -1.152   6.947
  219    HA   TRP  32           HA       TRP  32   3.681  -1.822   4.557
  220   1HB   TRP  32          2HB       TRP  32   4.435  -2.091   7.481
  221   2HB   TRP  32          1HB       TRP  32   5.522  -2.245   6.110
  222    HD1  TRP  32           HD1      TRP  32   4.783   0.092   8.711
  223    HE1  TRP  32           HE1      TRP  32   5.441   2.494   8.083
  224    HE3  TRP  32           HE3      TRP  32   5.282  -0.496   3.649
  225    HZ2  TRP  32           HZ2      TRP  32   6.082   3.949   5.764
  226    HZ3  TRP  32           HZ3      TRP  32   5.919   1.463   2.305
  227    HH2  TRP  32           HH2      TRP  32   6.310   3.638   3.343
  228    H    GLU  33           H        GLU  33   1.234  -3.323   5.538
  229    HA   GLU  33           HA       GLU  33   2.485  -5.867   6.321
  230   1HB   GLU  33          2HB       GLU  33  -0.220  -4.822   7.162
  231   2HB   GLU  33          1HB       GLU  33   0.560  -6.294   7.727
  232   1HG   GLU  33          2HG       GLU  33   2.030  -5.163   9.072
  233   2HG   GLU  33          1HG       GLU  33   1.945  -3.687   8.111
  234    H    ASP  34           H        ASP  34   1.688  -7.740   5.482
  235    HA   ASP  34           HA       ASP  34  -0.310  -7.545   3.338
  236   1HB   ASP  34          2HB       ASP  34   1.856  -8.577   2.731
  237   2HB   ASP  34          1HB       ASP  34   1.649  -9.763   4.012
  238    HA   PRO  35           HA       PRO  35  -2.994  -8.874   6.768
  239   1HB   PRO  35          2HB       PRO  35  -5.084  -9.079   4.817
  240   2HB   PRO  35          1HB       PRO  35  -4.889  -7.891   6.102
  241   1HG   PRO  35          2HG       PRO  35  -4.341  -7.627   3.261
  242   2HG   PRO  35          1HG       PRO  35  -4.448  -6.375   4.500
  243   1HD   PRO  35          2HD       PRO  35  -2.126  -7.162   3.258
  244   2HD   PRO  35          1HD       PRO  35  -2.206  -6.346   4.827
  245   1H    GLU 101          1H        GLU 101  13.106   2.004  11.589
  246   2H    GLU 101          2H        GLU 101  11.735   1.095  12.016
  247   3H    GLU 101          3H        GLU 101  13.083   1.125  13.039
  248    HA   GLU 101           HA       GLU 101  11.108   2.525  13.700
  249   1HB   GLU 101          2HB       GLU 101  12.561   4.335  14.525
  250   2HB   GLU 101          1HB       GLU 101  13.283   2.751  14.760
  251   1HG   GLU 101          2HG       GLU 101  14.761   3.093  12.892
  252   2HG   GLU 101          1HG       GLU 101  13.968   4.620  12.501
  253    H    GLU 102           H        GLU 102  11.049   2.513  10.730
  254    HA   GLU 102           HA       GLU 102  11.400   5.269   9.917
  255   1HB   GLU 102          2HB       GLU 102  10.274   2.949   8.324
  256   2HB   GLU 102          1HB       GLU 102  10.881   4.466   7.684
  257   1HG   GLU 102          2HG       GLU 102  12.497   2.741   7.280
  258   2HG   GLU 102          1HG       GLU 102  13.144   3.859   8.478
  259    HA   PRO 103           HA       PRO 103   7.071   6.325  10.336
  260   1HB   PRO 103          2HB       PRO 103   7.392   8.439   8.390
  261   2HB   PRO 103          1HB       PRO 103   7.244   8.571  10.143
  262   1HG   PRO 103          2HG       PRO 103   9.529   9.159   8.763
  263   2HG   PRO 103          1HG       PRO 103   9.510   8.630  10.454
  264   1HD   PRO 103          2HD       PRO 103  10.079   7.047   7.974
  265   2HD   PRO 103          1HD       PRO 103  10.887   6.992   9.556
  266    HA   PRO 104           HA       PRO 104   5.043   4.942   6.525
  267   1HB   PRO 104          2HB       PRO 104   2.520   5.736   7.650
  268   2HB   PRO 104          1HB       PRO 104   3.145   4.103   7.422
  269   1HG   PRO 104          2HG       PRO 104   2.745   5.331   9.870
  270   2HG   PRO 104          1HG       PRO 104   3.804   3.943   9.585
  271   1HD   PRO 104          2HD       PRO 104   4.496   6.818   9.936
  272   2HD   PRO 104          1HD       PRO 104   5.405   5.362  10.399
  273    HA   PRO 105           HA       PRO 105   4.128   8.966   4.689
  274   1HB   PRO 105          2HB       PRO 105   3.156   8.126   2.328
  275   2HB   PRO 105          1HB       PRO 105   4.881   8.045   2.706
  276   1HG   PRO 105          2HG       PRO 105   2.826   5.873   2.753
  277   2HG   PRO 105          1HG       PRO 105   4.506   5.812   2.196
  278   1HD   PRO 105          2HD       PRO 105   3.648   4.909   4.654
  279   2HD   PRO 105          1HD       PRO 105   5.311   5.420   4.303
  280    HA   PRO 106           HA       PRO 106  -0.157   9.298   5.710
  281   1HB   PRO 106          2HB       PRO 106  -0.705  11.751   4.757
  282   2HB   PRO 106          1HB       PRO 106   0.350  11.502   6.153
  283   1HG   PRO 106          2HG       PRO 106   1.074  12.066   3.306
  284   2HG   PRO 106          1HG       PRO 106   1.793  12.708   4.795
  285   1HD   PRO 106          2HD       PRO 106   2.874  10.656   3.322
  286   2HD   PRO 106          1HD       PRO 106   3.155  10.889   5.058
  287    H    TYR 107           H        TYR 107  -2.225   9.141   4.856
  288    HA   TYR 107           HA       TYR 107  -2.302   8.110   2.170
  289   1HB   TYR 107          2HB       TYR 107  -3.543   7.001   3.966
  290   2HB   TYR 107          1HB       TYR 107  -4.507   8.445   4.220
  291    HD1  TYR 107           HD2      TYR 107  -3.837   5.647   1.947
  292    HD2  TYR 107           HD1      TYR 107  -6.350   8.969   2.770
  293    HE1  TYR 107           HE2      TYR 107  -5.473   4.815   0.297
  294    HE2  TYR 107           HE1      TYR 107  -7.981   8.149   1.129
  295    HH   TYR 107           HH       TYR 107  -7.797   5.011  -0.223
  296    H    GLU 108           H        GLU 108  -3.554   8.880   0.465
  297    HA   GLU 108           HA       GLU 108  -3.277  11.682   0.160
  298   1HB   GLU 108          2HB       GLU 108  -4.464   9.590  -1.656
  299   2HB   GLU 108          1HB       GLU 108  -4.170  11.261  -2.125
  300   1HG   GLU 108          2HG       GLU 108  -1.787  10.968  -1.760
  301   2HG   GLU 108          1HG       GLU 108  -2.058   9.315  -1.212
  302    H    ASP 109           H        ASP 109  -6.239   9.882  -0.718
  303    HA   ASP 109           HA       ASP 109  -7.764  12.189   0.298
  304   1HB   ASP 109          2HB       ASP 109  -7.532  12.348  -2.148
  305   2HB   ASP 109          1HB       ASP 109  -8.223  10.737  -2.318
  Start of MODEL    4
    1    HA   PRO   5           HA       PRO   5  -0.139 -10.670  -3.637
    2   1HB   PRO   5          2HB       PRO   5  -1.856 -12.919  -3.036
    3   2HB   PRO   5          1HB       PRO   5  -1.011 -12.557  -4.542
    4   1HG   PRO   5          2HG       PRO   5  -0.388 -14.671  -2.921
    5   2HG   PRO   5          1HG       PRO   5   0.772 -13.881  -4.004
    6   1HD   PRO   5          2HD       PRO   5   0.403 -13.553  -1.053
    7   2HD   PRO   5          1HD       PRO   5   1.904 -13.614  -2.003
    8    H    LEU   6           H        LEU   6  -1.620  -9.171  -3.031
    9    HA   LEU   6           HA       LEU   6  -2.642  -9.335  -0.325
   10   1HB   LEU   6          2HB       LEU   6  -3.546  -7.003  -0.796
   11   2HB   LEU   6          1HB       LEU   6  -1.818  -7.186  -0.674
   12    HG   LEU   6           HG       LEU   6  -2.553  -5.557  -2.401
   13   1HD1  LEU   6          1HD1      LEU   6  -0.372  -6.608  -2.572
   14   2HD1  LEU   6          2HD1      LEU   6  -1.063  -6.322  -4.169
   15   3HD1  LEU   6          3HD1      LEU   6  -1.066  -7.950  -3.489
   16   1HD2  LEU   6          1HD2      LEU   6  -4.583  -6.653  -3.165
   17   2HD2  LEU   6          2HD2      LEU   6  -3.638  -7.978  -3.850
   18   3HD2  LEU   6          3HD2      LEU   6  -3.487  -6.348  -4.511
   19    HA   PRO   7           HA       PRO   7  -6.785 -10.220  -1.760
   20   1HB   PRO   7          2HB       PRO   7  -8.028  -9.833   0.657
   21   2HB   PRO   7          1HB       PRO   7  -7.130 -11.300   0.257
   22   1HG   PRO   7          2HG       PRO   7  -6.461  -9.206   2.160
   23   2HG   PRO   7          1HG       PRO   7  -5.694 -10.785   1.926
   24   1HD   PRO   7          2HD       PRO   7  -4.838  -8.159   0.995
   25   2HD   PRO   7          1HD       PRO   7  -3.935  -9.686   1.001
   26    HA   PRO   8           HA       PRO   8  -6.806  -5.956  -2.273
   27   1HB   PRO   8          2HB       PRO   8  -8.010  -5.877  -4.749
   28   2HB   PRO   8          1HB       PRO   8  -6.329  -6.304  -4.442
   29   1HG   PRO   8          2HG       PRO   8  -8.466  -7.997  -5.361
   30   2HG   PRO   8          1HG       PRO   8  -6.761  -8.410  -5.129
   31   1HD   PRO   8          2HD       PRO   8  -9.064  -8.964  -3.397
   32   2HD   PRO   8          1HD       PRO   8  -7.450  -9.703  -3.386
   33    H    GLY   9           H        GLY   9  -8.613  -5.727  -0.503
   34   1HA   GLY   9          2HA       GLY   9 -10.213  -3.645  -1.783
   35   2HA   GLY   9          1HA       GLY   9  -9.878  -3.804  -0.046
   36    H    TRP  10           H        TRP  10  -7.163  -4.574  -0.912
   37    HA   TRP  10           HA       TRP  10  -5.858  -2.025  -0.561
   38   1HB   TRP  10          2HB       TRP  10  -4.744  -4.845  -0.715
   39   2HB   TRP  10          1HB       TRP  10  -3.907  -3.424  -0.100
   40    HD1  TRP  10           HD1      TRP  10  -6.522  -6.012   0.870
   41    HE1  TRP  10           HE1      TRP  10  -6.967  -5.852   3.393
   42    HE3  TRP  10           HE3      TRP  10  -3.886  -1.769   1.889
   43    HZ2  TRP  10           HZ2      TRP  10  -6.290  -4.184   5.523
   44    HZ3  TRP  10           HZ3      TRP  10  -3.843  -0.964   4.203
   45    HH2  TRP  10           HH2      TRP  10  -5.018  -2.156   5.986
   46    H    GLU  11           H        GLU  11  -4.154  -1.324  -1.939
   47    HA   GLU  11           HA       GLU  11  -4.024  -2.629  -4.559
   48   1HB   GLU  11          2HB       GLU  11  -3.953  -0.416  -5.627
   49   2HB   GLU  11          1HB       GLU  11  -5.470  -0.641  -4.756
   50   1HG   GLU  11          2HG       GLU  11  -4.015   0.444  -2.818
   51   2HG   GLU  11          1HG       GLU  11  -3.218   1.177  -4.211
   52    H    LYS  12           H        LYS  12  -1.987  -2.391  -5.574
   53    HA   LYS  12           HA       LYS  12   0.149  -1.961  -3.681
   54   1HB   LYS  12          2HB       LYS  12   0.026  -4.024  -5.053
   55   2HB   LYS  12          1HB       LYS  12   0.159  -3.051  -6.511
   56   1HG   LYS  12          2HG       LYS  12   2.216  -2.819  -4.412
   57   2HG   LYS  12          1HG       LYS  12   2.258  -4.217  -5.486
   58   1HD   LYS  12          2HD       LYS  12   2.264  -1.314  -6.347
   59   2HD   LYS  12          1HD       LYS  12   3.692  -2.362  -6.288
   60   1HE   LYS  12          2HE       LYS  12   2.667  -3.860  -7.935
   61   2HE   LYS  12          1HE       LYS  12   1.235  -2.835  -7.983
   62   1HZ   LYS  12          1HZ       LYS  12   2.593  -1.034  -8.840
   63   2HZ   LYS  12          2HZ       LYS  12   2.684  -2.393  -9.853
   64   3HZ   LYS  12          3HZ       LYS  12   3.964  -2.024  -8.811
   65    H    ARG  13           H        ARG  13   0.848   0.096  -3.531
   66    HA   ARG  13           HA       ARG  13   1.422   1.514  -6.037
   67   1HB   ARG  13          2HB       ARG  13   0.250   2.747  -3.550
   68   2HB   ARG  13          1HB       ARG  13   0.906   3.669  -4.891
   69   1HG   ARG  13          2HG       ARG  13  -0.779   2.723  -6.376
   70   2HG   ARG  13          1HG       ARG  13  -1.438   1.786  -5.035
   71   1HD   ARG  13          2HD       ARG  13  -2.679   3.896  -5.551
   72   2HD   ARG  13          1HD       ARG  13  -2.115   3.757  -3.887
   73    HE   ARG  13           HE       ARG  13  -0.116   5.129  -5.092
   74   1HH1  ARG  13          1HH1      ARG  13  -3.586   5.605  -4.954
   75   2HH1  ARG  13          2HH1      ARG  13  -3.488   7.344  -5.074
   76   1HH2  ARG  13          1HH2      ARG  13   0.037   7.384  -5.221
   77   2HH2  ARG  13          2HH2      ARG  13  -1.405   8.356  -5.222
   78    H    THR  14           H        THR  14   3.312   2.485  -6.169
   79    HA   THR  14           HA       THR  14   5.218   2.201  -3.992
   80    HB   THR  14           HB       THR  14   6.516   3.474  -6.111
   81    HG1  THR  14           HG1      THR  14   5.831   2.426  -7.965
   82   1HG2  THR  14          1HG2      THR  14   6.342   0.506  -5.555
   83   2HG2  THR  14          2HG2      THR  14   7.430   1.648  -4.759
   84   3HG2  THR  14          3HG2      THR  14   7.610   1.323  -6.479
   85    H    ASP  15           H        ASP  15   6.307   3.952  -3.063
   86    HA   ASP  15           HA       ASP  15   5.211   6.599  -3.605
   87   1HB   ASP  15          2HB       ASP  15   6.641   7.428  -1.790
   88   2HB   ASP  15          1HB       ASP  15   5.639   6.101  -1.231
   89    H    SER  16           H        SER  16   6.938   8.336  -4.094
   90    HA   SER  16           HA       SER  16   6.849   8.037  -6.690
   91   1HB   SER  16          2HB       SER  16   9.196   9.441  -5.416
   92   2HB   SER  16          1HB       SER  16   8.457   9.802  -6.975
   93    HG   SER  16           HG       SER  16   6.456  10.141  -5.637
   94    H    ASN  17           H        ASN  17   9.963   7.165  -5.039
   95    HA   ASN  17           HA       ASN  17  10.797   6.092  -7.626
   96   1HB   ASN  17          2HB       ASN  17  12.393   7.496  -6.371
   97   2HB   ASN  17          1HB       ASN  17  12.395   6.305  -5.076
   98   1HD2  ASN  17          1HD2      ASN  17  12.291   5.520  -8.501
   99   2HD2  ASN  17          2HD2      ASN  17  13.854   4.785  -8.566
  100    H    GLY  18           H        GLY  18  11.338   4.847  -4.343
  101   1HA   GLY  18          2HA       GLY  18  11.620   2.226  -5.563
  102   2HA   GLY  18          1HA       GLY  18  12.232   2.708  -4.001
  103    H    ARG  19           H        ARG  19   9.664   3.575  -2.882
  104    HA   ARG  19           HA       ARG  19   9.508   0.817  -1.932
  105   1HB   ARG  19          2HB       ARG  19  10.148   2.463  -0.315
  106   2HB   ARG  19          1HB       ARG  19   8.695   3.404  -0.627
  107   1HG   ARG  19          2HG       ARG  19   7.499   1.158   0.059
  108   2HG   ARG  19          1HG       ARG  19   9.028   0.864   0.889
  109   1HD   ARG  19          2HD       ARG  19   7.499   3.424   1.222
  110   2HD   ARG  19          1HD       ARG  19   7.164   2.000   2.205
  111    HE   ARG  19           HE       ARG  19   9.384   2.172   3.112
  112   1HH1  ARG  19          1HH1      ARG  19   8.372   4.921   1.166
  113   2HH1  ARG  19          2HH1      ARG  19   9.418   6.030   2.010
  114   1HH2  ARG  19          1HH2      ARG  19  10.734   3.630   4.192
  115   2HH2  ARG  19          2HH2      ARG  19  10.772   5.302   3.705
  116    H    VAL  20           H        VAL  20   7.854  -0.448  -2.081
  117    HA   VAL  20           HA       VAL  20   5.275   0.636  -2.912
  118    HB   VAL  20           HB       VAL  20   6.010  -1.295  -4.178
  119   1HG1  VAL  20          1HG1      VAL  20   6.290  -3.504  -3.140
  120   2HG1  VAL  20          2HG1      VAL  20   6.102  -2.768  -1.548
  121   3HG1  VAL  20          3HG1      VAL  20   7.478  -2.335  -2.559
  122   1HG2  VAL  20          1HG2      VAL  20   3.614  -1.058  -3.814
  123   2HG2  VAL  20          2HG2      VAL  20   3.725  -1.985  -2.320
  124   3HG2  VAL  20          3HG2      VAL  20   4.058  -2.765  -3.868
  125    H    TYR  21           H        TYR  21   3.528   0.654  -1.675
  126    HA   TYR  21           HA       TYR  21   3.578  -0.711   0.889
  127   1HB   TYR  21          2HB       TYR  21   2.486   1.282   1.935
  128   2HB   TYR  21          1HB       TYR  21   4.154   1.557   1.447
  129    HD1  TYR  21           HD1      TYR  21   0.640   2.367   0.717
  130    HD2  TYR  21           HD2      TYR  21   4.702   3.078  -0.321
  131    HE1  TYR  21           HE1      TYR  21  -0.043   4.341  -0.589
  132    HE2  TYR  21           HE2      TYR  21   4.040   5.048  -1.626
  133    HH   TYR  21           HH       TYR  21   1.023   6.497  -1.385
  134    H    PHE  22           H        PHE  22   1.491  -1.268   1.703
  135    HA   PHE  22           HA       PHE  22  -0.353  -1.725  -0.507
  136   1HB   PHE  22          2HB       PHE  22  -0.196  -2.854   2.299
  137   2HB   PHE  22          1HB       PHE  22  -1.554  -3.171   1.227
  138    HD1  PHE  22           HD1      PHE  22   1.712  -2.880  -0.305
  139    HD2  PHE  22           HD2      PHE  22  -1.045  -5.570   1.507
  140    HE1  PHE  22           HE1      PHE  22   2.938  -4.782  -1.272
  141    HE2  PHE  22           HE2      PHE  22   0.174  -7.475   0.545
  142    HZ   PHE  22           HZ       PHE  22   2.172  -7.085  -0.846
  143    H    VAL  23           H        VAL  23  -1.559  -0.066  -0.875
  144    HA   VAL  23           HA       VAL  23  -2.600   1.554   1.327
  145    HB   VAL  23           HB       VAL  23  -1.540   3.051  -0.060
  146   1HG1  VAL  23          1HG1      VAL  23  -1.385   2.865  -2.494
  147   2HG1  VAL  23          2HG1      VAL  23  -2.403   1.427  -2.456
  148   3HG1  VAL  23          3HG1      VAL  23  -0.807   1.400  -1.704
  149   1HG2  VAL  23          1HG2      VAL  23  -3.130   4.286  -1.374
  150   2HG2  VAL  23          2HG2      VAL  23  -3.941   3.669   0.067
  151   3HG2  VAL  23          3HG2      VAL  23  -4.193   2.881  -1.488
  152    H    ASN  24           H        ASN  24  -4.812   2.081   1.423
  153    HA   ASN  24           HA       ASN  24  -6.587   0.513  -0.315
  154   1HB   ASN  24          2HB       ASN  24  -6.122  -0.736   1.815
  155   2HB   ASN  24          1HB       ASN  24  -6.818   0.608   2.705
  156   1HD2  ASN  24          1HD2      ASN  24  -7.554  -2.234   2.476
  157   2HD2  ASN  24          2HD2      ASN  24  -9.222  -2.244   2.025
  158    H    HIS  25           H        HIS  25  -7.738   2.063  -1.307
  159    HA   HIS  25           HA       HIS  25  -8.235   4.659  -0.473
  160   1HB   HIS  25          2HB       HIS  25  -9.760   2.825  -2.308
  161   2HB   HIS  25          1HB       HIS  25 -10.356   4.443  -1.962
  162    HD1  HIS  25           HD1      HIS  25  -8.857   6.444  -2.831
  163    HD2  HIS  25           HD2      HIS  25  -7.739   2.673  -4.135
  164    HE1  HIS  25           HE1      HIS  25  -7.267   6.836  -4.741
  165    HE2  HIS  25           HE2      HIS  25  -6.437   4.529  -5.340
  166    H    ASN  26           H        ASN  26 -10.131   1.752   0.170
  167    HA   ASN  26           HA       ASN  26 -12.487   3.001   1.045
  168   1HB   ASN  26          2HB       ASN  26 -11.400   0.293   1.859
  169   2HB   ASN  26          1HB       ASN  26 -13.071   0.822   2.015
  170   1HD2  ASN  26          1HD2      ASN  26 -10.603  -0.316  -0.102
  171   2HD2  ASN  26          2HD2      ASN  26 -11.612  -0.566  -1.488
  172    H    THR  27           H        THR  27  -9.625   1.928   2.814
  173    HA   THR  27           HA       THR  27 -10.732   2.841   5.343
  174    HB   THR  27           HB       THR  27  -8.702   1.979   6.346
  175    HG1  THR  27           HG1      THR  27  -7.900   1.872   3.685
  176   1HG2  THR  27          1HG2      THR  27  -9.999   0.070   4.402
  177   2HG2  THR  27          2HG2      THR  27 -10.566   0.453   6.028
  178   3HG2  THR  27          3HG2      THR  27  -9.040  -0.403   5.805
  179    H    ARG  28           H        ARG  28  -8.803   4.061   2.822
  180    HA   ARG  28           HA       ARG  28  -7.418   5.833   2.537
  181   1HB   ARG  28          2HB       ARG  28  -8.863   6.838   4.997
  182   2HB   ARG  28          1HB       ARG  28  -7.732   7.806   4.061
  183   1HG   ARG  28          2HG       ARG  28  -9.213   7.399   2.066
  184   2HG   ARG  28          1HG       ARG  28 -10.388   6.718   3.193
  185   1HD   ARG  28          2HD       ARG  28 -10.880   9.061   2.738
  186   2HD   ARG  28          1HD       ARG  28 -10.435   8.824   4.426
  187    HE   ARG  28           HE       ARG  28  -8.102   9.554   3.523
  188   1HH1  ARG  28          1HH1      ARG  28 -11.212  10.869   2.590
  189   2HH1  ARG  28          2HH1      ARG  28 -10.567  12.425   2.152
  190   1HH2  ARG  28          1HH2      ARG  28  -7.250  11.594   2.985
  191   2HH2  ARG  28          2HH2      ARG  28  -8.314  12.840   2.389
  192    H    ILE  29           H        ILE  29  -6.453   3.579   3.932
  193    HA   ILE  29           HA       ILE  29  -4.444   4.818   5.702
  194    HB   ILE  29           HB       ILE  29  -5.797   2.131   6.018
  195   1HG1  ILE  29          2HG1      ILE  29  -5.638   4.525   7.863
  196   2HG1  ILE  29          1HG1      ILE  29  -7.032   4.080   6.882
  197   1HG2  ILE  29          1HG2      ILE  29  -3.446   1.801   6.490
  198   2HG2  ILE  29          2HG2      ILE  29  -4.358   1.795   7.998
  199   3HG2  ILE  29          3HG2      ILE  29  -3.433   3.225   7.542
  200   1HD1  ILE  29          1HD1      ILE  29  -7.207   1.972   8.132
  201   2HD1  ILE  29          2HD1      ILE  29  -7.373   3.394   9.161
  202   3HD1  ILE  29          3HD1      ILE  29  -5.862   2.484   9.151
  203    H    THR  30           H        THR  30  -2.353   4.135   5.501
  204    HA   THR  30           HA       THR  30  -1.729   2.348   3.248
  205    HB   THR  30           HB       THR  30   0.565   3.471   3.430
  206    HG1  THR  30           HG1      THR  30   0.387   5.620   4.438
  207   1HG2  THR  30          1HG2      THR  30  -0.156   5.453   2.167
  208   2HG2  THR  30          2HG2      THR  30  -1.819   5.184   2.696
  209   3HG2  THR  30          3HG2      THR  30  -1.027   4.010   1.647
  210    H    GLN  31           H        GLN  31  -1.128   0.358   3.874
  211    HA   GLN  31           HA       GLN  31   0.107   0.070   6.534
  212   1HB   GLN  31          2HB       GLN  31  -1.769  -1.813   5.104
  213   2HB   GLN  31          1HB       GLN  31  -0.967  -2.155   6.627
  214   1HG   GLN  31          2HG       GLN  31  -2.771   0.204   6.271
  215   2HG   GLN  31          1HG       GLN  31  -3.371  -1.384   6.742
  216   1HE2  GLN  31          1HE2      GLN  31  -4.092  -0.669   8.721
  217   2HE2  GLN  31          2HE2      GLN  31  -3.016  -0.253  10.016
  218    H    TRP  32           H        TRP  32   1.761  -1.468   6.784
  219    HA   TRP  32           HA       TRP  32   3.238  -2.159   4.401
  220   1HB   TRP  32          2HB       TRP  32   3.697  -2.949   7.286
  221   2HB   TRP  32          1HB       TRP  32   4.788  -3.320   5.965
  222    HD1  TRP  32           HD1      TRP  32   5.192  -1.432   8.712
  223    HE1  TRP  32           HE1      TRP  32   6.328   0.854   8.359
  224    HE3  TRP  32           HE3      TRP  32   4.407  -0.913   3.687
  225    HZ2  TRP  32           HZ2      TRP  32   6.820   2.629   6.231
  226    HZ3  TRP  32           HZ3      TRP  32   5.244   1.112   2.572
  227    HH2  TRP  32           HH2      TRP  32   6.425   2.848   3.821
  228    H    GLU  33           H        GLU  33   1.128  -3.750   6.690
  229    HA   GLU  33           HA       GLU  33   2.002  -6.384   5.787
  230   1HB   GLU  33          2HB       GLU  33   0.171  -5.742   8.093
  231   2HB   GLU  33          1HB       GLU  33   1.068  -7.230   7.813
  232   1HG   GLU  33          2HG       GLU  33   3.163  -6.048   8.159
  233   2HG   GLU  33          1HG       GLU  33   2.287  -4.541   8.401
  234    H    ASP  34           H        ASP  34   0.748  -7.786   4.742
  235    HA   ASP  34           HA       ASP  34  -1.906  -6.962   3.900
  236   1HB   ASP  34          2HB       ASP  34  -1.775  -9.004   2.451
  237   2HB   ASP  34          1HB       ASP  34  -0.487  -7.843   2.155
  238    HA   PRO  35           HA       PRO  35  -3.826  -8.977   7.431
  239   1HB   PRO  35          2HB       PRO  35  -6.141  -8.985   5.635
  240   2HB   PRO  35          1HB       PRO  35  -5.939  -8.211   7.204
  241   1HG   PRO  35          2HG       PRO  35  -5.809  -6.994   4.631
  242   2HG   PRO  35          1HG       PRO  35  -5.555  -6.245   6.206
  243   1HD   PRO  35          2HD       PRO  35  -3.624  -6.660   4.225
  244   2HD   PRO  35          1HD       PRO  35  -3.322  -6.198   5.908
  245   1H    GLU 101          1H        GLU 101  10.187  -2.435  11.616
  246   2H    GLU 101          2H        GLU 101  10.128  -1.502  10.200
  247   3H    GLU 101          3H        GLU 101   8.889  -1.379  11.352
  248    HA   GLU 101           HA       GLU 101  10.321  -0.418  12.937
  249   1HB   GLU 101          2HB       GLU 101  12.426  -1.183  10.974
  250   2HB   GLU 101          1HB       GLU 101  12.682   0.257  11.948
  251   1HG   GLU 101          2HG       GLU 101  13.725  -1.561  13.055
  252   2HG   GLU 101          1HG       GLU 101  12.294  -1.119  13.982
  253    H    GLU 102           H        GLU 102  10.290   0.206   9.432
  254    HA   GLU 102           HA       GLU 102  10.551   3.046   9.935
  255   1HB   GLU 102          2HB       GLU 102  10.416   3.272   7.480
  256   2HB   GLU 102          1HB       GLU 102  11.661   2.137   7.980
  257   1HG   GLU 102          2HG       GLU 102  10.026   0.296   7.522
  258   2HG   GLU 102          1HG       GLU 102   8.967   1.514   6.812
  259    HA   PRO 103           HA       PRO 103   6.204   3.890  10.034
  260   1HB   PRO 103          2HB       PRO 103   6.229   6.512   9.469
  261   2HB   PRO 103          1HB       PRO 103   6.871   5.883  10.991
  262   1HG   PRO 103          2HG       PRO 103   8.339   6.711   8.517
  263   2HG   PRO 103          1HG       PRO 103   8.735   7.037  10.211
  264   1HD   PRO 103          2HD       PRO 103   9.904   5.059   8.737
  265   2HD   PRO 103          1HD       PRO 103   9.728   4.999  10.501
  266    HA   PRO 104           HA       PRO 104   4.817   3.857   5.788
  267   1HB   PRO 104          2HB       PRO 104   2.122   4.367   6.674
  268   2HB   PRO 104          1HB       PRO 104   2.812   2.852   6.099
  269   1HG   PRO 104          2HG       PRO 104   2.010   3.305   8.679
  270   2HG   PRO 104          1HG       PRO 104   3.222   2.101   8.209
  271   1HD   PRO 104          2HD       PRO 104   3.611   4.835   9.363
  272   2HD   PRO 104          1HD       PRO 104   4.518   3.339   9.676
  273    HA   PRO 105           HA       PRO 105   4.321   8.194   4.820
  274   1HB   PRO 105          2HB       PRO 105   3.433   7.432   2.163
  275   2HB   PRO 105          1HB       PRO 105   4.987   8.115   2.647
  276   1HG   PRO 105          2HG       PRO 105   4.699   5.564   1.733
  277   2HG   PRO 105          1HG       PRO 105   5.972   6.062   2.860
  278   1HD   PRO 105          2HD       PRO 105   3.383   4.667   3.421
  279   2HD   PRO 105          1HD       PRO 105   4.999   4.369   4.103
  280    HA   PRO 106           HA       PRO 106   0.033   8.719   5.434
  281   1HB   PRO 106          2HB       PRO 106  -0.276  11.353   4.904
  282   2HB   PRO 106          1HB       PRO 106   0.618  10.768   6.311
  283   1HG   PRO 106          2HG       PRO 106   1.640  11.793   3.703
  284   2HG   PRO 106          1HG       PRO 106   2.266  12.063   5.337
  285   1HD   PRO 106          2HD       PRO 106   3.318  10.258   3.554
  286   2HD   PRO 106          1HD       PRO 106   3.473  10.127   5.317
  287    H    TYR 107           H        TYR 107  -1.980   9.013   4.456
  288    HA   TYR 107           HA       TYR 107  -1.866   8.019   1.769
  289   1HB   TYR 107          2HB       TYR 107  -3.297   6.863   3.277
  290   2HB   TYR 107          1HB       TYR 107  -4.104   8.348   3.761
  291    HD1  TYR 107           HD2      TYR 107  -3.690   5.955   0.968
  292    HD2  TYR 107           HD1      TYR 107  -5.974   9.164   2.569
  293    HE1  TYR 107           HE2      TYR 107  -5.426   5.559  -0.732
  294    HE2  TYR 107           HE1      TYR 107  -7.714   8.779   0.877
  295    HH   TYR 107           HH       TYR 107  -8.050   7.775  -1.227
  296    H    GLU 108           H        GLU 108  -1.890   9.260   0.067
  297    HA   GLU 108           HA       GLU 108  -3.974  11.322  -0.064
  298   1HB   GLU 108          2HB       GLU 108  -2.620  12.531  -1.739
  299   2HB   GLU 108          1HB       GLU 108  -1.827  12.474  -0.172
  300   1HG   GLU 108          2HG       GLU 108  -0.282  10.836  -0.921
  301   2HG   GLU 108          1HG       GLU 108  -1.184  10.575  -2.412
  302    H    ASP 109           H        ASP 109  -4.825  11.570  -2.312
  303    HA   ASP 109           HA       ASP 109  -5.444   8.952  -3.317
  304   1HB   ASP 109          2HB       ASP 109  -7.037  10.082  -4.761
  305   2HB   ASP 109          1HB       ASP 109  -7.166  10.733  -3.132
  Start of MODEL    5
    1    HA   PRO   5           HA       PRO   5   0.557 -10.333  -3.290
    2   1HB   PRO   5          2HB       PRO   5  -1.022 -12.664  -2.872
    3   2HB   PRO   5          1HB       PRO   5   0.133 -12.376  -4.172
    4   1HG   PRO   5          2HG       PRO   5   0.413 -14.264  -2.143
    5   2HG   PRO   5          1HG       PRO   5   1.713 -13.677  -3.192
    6   1HD   PRO   5          2HD       PRO   5   1.037 -12.902  -0.393
    7   2HD   PRO   5          1HD       PRO   5   2.623 -13.005  -1.186
    8    H    LEU   6           H        LEU   6  -1.258  -9.118  -3.032
    9    HA   LEU   6           HA       LEU   6  -2.438  -9.236  -0.372
   10   1HB   LEU   6          2HB       LEU   6  -3.410  -6.977  -0.882
   11   2HB   LEU   6          1HB       LEU   6  -1.674  -7.046  -0.748
   12    HG   LEU   6           HG       LEU   6  -2.427  -5.472  -2.489
   13   1HD1  LEU   6          1HD1      LEU   6  -0.251  -6.496  -2.740
   14   2HD1  LEU   6          2HD1      LEU   6  -1.005  -6.255  -4.316
   15   3HD1  LEU   6          3HD1      LEU   6  -0.964  -7.864  -3.595
   16   1HD2  LEU   6          1HD2      LEU   6  -4.465  -6.541  -3.208
   17   2HD2  LEU   6          2HD2      LEU   6  -3.559  -7.910  -3.853
   18   3HD2  LEU   6          3HD2      LEU   6  -3.388  -6.314  -4.586
   19    HA   PRO   7           HA       PRO   7  -6.490 -10.179  -2.093
   20   1HB   PRO   7          2HB       PRO   7  -7.858  -9.951   0.239
   21   2HB   PRO   7          1HB       PRO   7  -6.868 -11.366  -0.128
   22   1HG   PRO   7          2HG       PRO   7  -6.374  -9.186   1.793
   23   2HG   PRO   7          1HG       PRO   7  -5.698 -10.821   1.743
   24   1HD   PRO   7          2HD       PRO   7  -4.487  -8.378   0.867
   25   2HD   PRO   7          1HD       PRO   7  -3.801 -10.007   0.820
   26    HA   PRO   8           HA       PRO   8  -6.551  -5.908  -2.419
   27   1HB   PRO   8          2HB       PRO   8  -7.977  -5.697  -4.788
   28   2HB   PRO   8          1HB       PRO   8  -6.268  -6.107  -4.636
   29   1HG   PRO   8          2HG       PRO   8  -8.423  -7.787  -5.500
   30   2HG   PRO   8          1HG       PRO   8  -6.707  -8.196  -5.360
   31   1HD   PRO   8          2HD       PRO   8  -8.936  -8.816  -3.532
   32   2HD   PRO   8          1HD       PRO   8  -7.336  -9.580  -3.663
   33    H    GLY   9           H        GLY   9  -8.191  -5.775  -0.501
   34   1HA   GLY   9          2HA       GLY   9  -9.833  -3.559  -1.460
   35   2HA   GLY   9          1HA       GLY   9  -9.343  -3.867   0.218
   36    H    TRP  10           H        TRP  10  -6.757  -4.620  -0.898
   37    HA   TRP  10           HA       TRP  10  -5.298  -2.181  -0.538
   38   1HB   TRP  10          2HB       TRP  10  -4.362  -5.015  -1.083
   39   2HB   TRP  10          1HB       TRP  10  -3.397  -3.698  -0.424
   40    HD1  TRP  10           HD1      TRP  10  -5.251  -6.636   0.652
   41    HE1  TRP  10           HE1      TRP  10  -5.738  -6.565   3.179
   42    HE3  TRP  10           HE3      TRP  10  -4.175  -1.759   1.493
   43    HZ2  TRP  10           HZ2      TRP  10  -5.649  -4.654   5.267
   44    HZ3  TRP  10           HZ3      TRP  10  -4.407  -0.878   3.737
   45    HH2  TRP  10           HH2      TRP  10  -5.122  -2.292   5.609
   46    H    GLU  11           H        GLU  11  -3.664  -1.480  -2.023
   47    HA   GLU  11           HA       GLU  11  -3.825  -2.515  -4.717
   48   1HB   GLU  11          2HB       GLU  11  -4.072  -0.189  -5.606
   49   2HB   GLU  11          1HB       GLU  11  -5.489  -0.748  -4.734
   50   1HG   GLU  11          2HG       GLU  11  -4.205   0.413  -2.728
   51   2HG   GLU  11          1HG       GLU  11  -3.585   1.386  -4.067
   52    H    LYS  12           H        LYS  12  -1.833  -2.464  -5.652
   53    HA   LYS  12           HA       LYS  12   0.183  -2.123  -3.598
   54   1HB   LYS  12          2HB       LYS  12  -0.184  -4.273  -4.803
   55   2HB   LYS  12          1HB       LYS  12   0.257  -3.475  -6.307
   56   1HG   LYS  12          2HG       LYS  12   2.199  -4.540  -5.702
   57   2HG   LYS  12          1HG       LYS  12   2.415  -2.893  -5.092
   58   1HD   LYS  12          2HD       LYS  12   2.349  -3.528  -2.929
   59   2HD   LYS  12          1HD       LYS  12   1.076  -4.709  -3.228
   60   1HE   LYS  12          2HE       LYS  12   3.099  -5.820  -2.484
   61   2HE   LYS  12          1HE       LYS  12   2.709  -6.277  -4.139
   62   1HZ   LYS  12          1HZ       LYS  12   4.796  -4.356  -3.275
   63   2HZ   LYS  12          2HZ       LYS  12   4.381  -4.647  -4.891
   64   3HZ   LYS  12          3HZ       LYS  12   5.043  -5.891  -3.944
   65    H    ARG  13           H        ARG  13   0.734   0.063  -3.635
   66    HA   ARG  13           HA       ARG  13   1.580   1.172  -6.243
   67   1HB   ARG  13          2HB       ARG  13   0.363   2.697  -3.933
   68   2HB   ARG  13          1HB       ARG  13   0.827   3.369  -5.489
   69   1HG   ARG  13          2HG       ARG  13  -0.881   1.996  -6.584
   70   2HG   ARG  13          1HG       ARG  13  -1.339   1.332  -5.017
   71   1HD   ARG  13          2HD       ARG  13  -2.907   3.025  -5.463
   72   2HD   ARG  13          1HD       ARG  13  -1.788   3.710  -4.288
   73    HE   ARG  13           HE       ARG  13  -1.200   4.270  -7.079
   74   1HH1  ARG  13          1HH1      ARG  13  -2.631   5.395  -4.075
   75   2HH1  ARG  13          2HH1      ARG  13  -2.740   7.052  -4.595
   76   1HH2  ARG  13          1HH2      ARG  13  -1.355   6.443  -7.759
   77   2HH2  ARG  13          2HH2      ARG  13  -2.046   7.638  -6.690
   78    H    THR  14           H        THR  14   3.497   2.155  -6.362
   79    HA   THR  14           HA       THR  14   5.266   2.127  -4.063
   80    HB   THR  14           HB       THR  14   6.672   3.275  -6.149
   81    HG1  THR  14           HG1      THR  14   5.986   2.452  -8.003
   82   1HG2  THR  14          1HG2      THR  14   6.453   0.366  -5.375
   83   2HG2  THR  14          2HG2      THR  14   7.587   1.562  -4.741
   84   3HG2  THR  14          3HG2      THR  14   7.711   1.038  -6.418
   85    H    ASP  15           H        ASP  15   6.266   3.934  -3.219
   86    HA   ASP  15           HA       ASP  15   5.161   6.527  -3.951
   87   1HB   ASP  15          2HB       ASP  15   6.523   7.451  -2.104
   88   2HB   ASP  15          1HB       ASP  15   5.431   6.191  -1.555
   89    H    SER  16           H        SER  16   6.769   8.276  -4.446
   90    HA   SER  16           HA       SER  16   7.143   7.923  -7.003
   91   1HB   SER  16          2HB       SER  16   9.114   9.512  -5.363
   92   2HB   SER  16          1HB       SER  16   8.655   9.800  -7.044
   93    HG   SER  16           HG       SER  16   6.764  10.602  -6.414
   94    H    ASN  17           H        ASN  17   9.923   7.189  -4.787
   95    HA   ASN  17           HA       ASN  17  11.375   6.361  -7.186
   96   1HB   ASN  17          2HB       ASN  17  12.421   6.331  -4.355
   97   2HB   ASN  17          1HB       ASN  17  13.353   6.306  -5.847
   98   1HD2  ASN  17          1HD2      ASN  17  11.656   8.243  -3.559
   99   2HD2  ASN  17          2HD2      ASN  17  12.112   9.780  -4.203
  100    H    GLY  18           H        GLY  18  11.390   4.939  -3.960
  101   1HA   GLY  18          2HA       GLY  18  11.797   2.330  -5.174
  102   2HA   GLY  18          1HA       GLY  18  12.189   2.771  -3.532
  103    H    ARG  19           H        ARG  19   9.575   3.673  -2.739
  104    HA   ARG  19           HA       ARG  19   9.385   0.935  -1.752
  105   1HB   ARG  19          2HB       ARG  19  10.008   2.699  -0.245
  106   2HB   ARG  19          1HB       ARG  19   8.544   3.590  -0.614
  107   1HG   ARG  19          2HG       ARG  19   7.282   1.622   0.347
  108   2HG   ARG  19          1HG       ARG  19   8.840   1.067   0.970
  109   1HD   ARG  19          2HD       ARG  19   7.531   3.728   1.520
  110   2HD   ARG  19          1HD       ARG  19   7.668   2.384   2.649
  111    HE   ARG  19           HE       ARG  19  10.038   2.785   2.752
  112   1HH1  ARG  19          1HH1      ARG  19   8.246   5.198   0.956
  113   2HH1  ARG  19          2HH1      ARG  19   9.395   6.462   1.271
  114   1HH2  ARG  19          1HH2      ARG  19  11.589   4.453   3.149
  115   2HH2  ARG  19          2HH2      ARG  19  11.283   6.044   2.511
  116    H    VAL  20           H        VAL  20   7.659  -0.319  -1.824
  117    HA   VAL  20           HA       VAL  20   5.115   0.857  -2.689
  118    HB   VAL  20           HB       VAL  20   5.896  -1.068  -4.025
  119   1HG1  VAL  20          1HG1      VAL  20   5.567  -2.632  -1.465
  120   2HG1  VAL  20          2HG1      VAL  20   7.086  -2.289  -2.291
  121   3HG1  VAL  20          3HG1      VAL  20   5.881  -3.322  -3.058
  122   1HG2  VAL  20          1HG2      VAL  20   3.505  -0.624  -3.908
  123   2HG2  VAL  20          2HG2      VAL  20   3.367  -1.567  -2.426
  124   3HG2  VAL  20          3HG2      VAL  20   3.783  -2.361  -3.948
  125    H    TYR  21           H        TYR  21   3.270   0.507  -1.574
  126    HA   TYR  21           HA       TYR  21   3.340  -0.849   0.973
  127   1HB   TYR  21          2HB       TYR  21   2.268   1.111   2.101
  128   2HB   TYR  21          1HB       TYR  21   3.945   1.379   1.650
  129    HD1  TYR  21           HD1      TYR  21   0.450   2.234   0.903
  130    HD2  TYR  21           HD2      TYR  21   4.534   3.055   0.006
  131    HE1  TYR  21           HE1      TYR  21  -0.230   4.272  -0.293
  132    HE2  TYR  21           HE2      TYR  21   3.862   5.097  -1.183
  133    HH   TYR  21           HH       TYR  21   1.926   6.029  -2.280
  134    H    PHE  22           H        PHE  22   1.158  -1.362   1.737
  135    HA   PHE  22           HA       PHE  22  -0.533  -1.814  -0.598
  136   1HB   PHE  22          2HB       PHE  22  -0.686  -2.896   2.232
  137   2HB   PHE  22          1HB       PHE  22  -1.828  -3.299   0.959
  138    HD1  PHE  22           HD1      PHE  22   1.629  -2.938  -0.055
  139    HD2  PHE  22           HD2      PHE  22  -1.277  -5.667   1.449
  140    HE1  PHE  22           HE1      PHE  22   3.060  -4.825  -0.698
  141    HE2  PHE  22           HE2      PHE  22   0.157  -7.551   0.796
  142    HZ   PHE  22           HZ       PHE  22   2.328  -7.132  -0.271
  143    H    VAL  23           H        VAL  23  -1.787  -0.220  -1.047
  144    HA   VAL  23           HA       VAL  23  -2.668   1.620   1.019
  145    HB   VAL  23           HB       VAL  23  -3.456   2.029  -1.807
  146   1HG1  VAL  23          1HG1      VAL  23  -3.961   3.676  -0.096
  147   2HG1  VAL  23          2HG1      VAL  23  -2.875   4.335  -1.320
  148   3HG1  VAL  23          3HG1      VAL  23  -2.239   3.847   0.250
  149   1HG2  VAL  23          1HG2      VAL  23  -1.224   1.117  -2.114
  150   2HG2  VAL  23          2HG2      VAL  23  -0.585   2.263  -0.935
  151   3HG2  VAL  23          3HG2      VAL  23  -1.242   2.847  -2.464
  152    H    ASN  24           H        ASN  24  -4.795   1.969   1.535
  153    HA   ASN  24           HA       ASN  24  -6.762   0.311   0.105
  154   1HB   ASN  24          2HB       ASN  24  -6.217  -0.462   2.476
  155   2HB   ASN  24          1HB       ASN  24  -6.961   1.035   3.032
  156   1HD2  ASN  24          1HD2      ASN  24  -7.476  -2.105   1.758
  157   2HD2  ASN  24          2HD2      ASN  24  -9.209  -2.102   1.864
  158    H    HIS  25           H        HIS  25  -7.447   1.946  -1.244
  159    HA   HIS  25           HA       HIS  25  -7.892   4.609  -0.530
  160   1HB   HIS  25          2HB       HIS  25  -8.835   2.854  -2.745
  161   2HB   HIS  25          1HB       HIS  25  -9.616   4.416  -2.533
  162    HD1  HIS  25           HD1      HIS  25  -8.642   5.351  -4.710
  163    HD2  HIS  25           HD2      HIS  25  -5.747   4.073  -2.022
  164    HE1  HIS  25           HE1      HIS  25  -6.483   6.342  -5.521
  165    HE2  HIS  25           HE2      HIS  25  -4.840   5.840  -3.687
  166    H    ASN  26           H        ASN  26  -9.837   1.847   0.132
  167    HA   ASN  26           HA       ASN  26 -12.345   3.173   0.377
  168   1HB   ASN  26          2HB       ASN  26 -11.503   0.598   1.729
  169   2HB   ASN  26          1HB       ASN  26 -13.147   1.135   1.397
  170   1HD2  ASN  26          1HD2      ASN  26 -10.314  -0.360   0.124
  171   2HD2  ASN  26          2HD2      ASN  26 -10.975  -0.778  -1.416
  172    H    THR  27           H        THR  27 -10.051   1.940   2.796
  173    HA   THR  27           HA       THR  27 -11.409   3.320   4.938
  174    HB   THR  27           HB       THR  27  -9.673   2.362   6.366
  175    HG1  THR  27           HG1      THR  27  -8.764   0.781   4.222
  176   1HG2  THR  27          1HG2      THR  27 -11.015   0.404   4.506
  177   2HG2  THR  27          2HG2      THR  27 -11.727   1.124   5.950
  178   3HG2  THR  27          3HG2      THR  27 -10.362   0.015   6.097
  179    H    ARG  28           H        ARG  28  -8.822   3.967   2.800
  180    HA   ARG  28           HA       ARG  28  -7.484   5.773   2.489
  181   1HB   ARG  28          2HB       ARG  28  -8.873   6.957   4.903
  182   2HB   ARG  28          1HB       ARG  28  -7.792   7.826   3.817
  183   1HG   ARG  28          2HG       ARG  28  -9.332   7.402   1.964
  184   2HG   ARG  28          1HG       ARG  28 -10.424   6.568   3.065
  185   1HD   ARG  28          2HD       ARG  28 -10.575   8.689   4.384
  186   2HD   ARG  28          1HD       ARG  28  -9.646   9.479   3.108
  187    HE   ARG  28           HE       ARG  28 -12.111   8.080   2.375
  188   1HH1  ARG  28          1HH1      ARG  28 -10.483  11.138   2.932
  189   2HH1  ARG  28          2HH1      ARG  28 -11.617  12.061   1.997
  190   1HH2  ARG  28          1HH2      ARG  28 -13.583   9.256   1.136
  191   2HH2  ARG  28          2HH2      ARG  28 -13.419  10.982   0.984
  192    H    ILE  29           H        ILE  29  -6.784   3.488   3.991
  193    HA   ILE  29           HA       ILE  29  -4.806   4.573   5.883
  194    HB   ILE  29           HB       ILE  29  -6.109   1.844   5.787
  195   1HG1  ILE  29          2HG1      ILE  29  -6.190   4.023   7.889
  196   2HG1  ILE  29          1HG1      ILE  29  -7.480   3.670   6.744
  197   1HG2  ILE  29          1HG2      ILE  29  -3.910   2.844   7.593
  198   2HG2  ILE  29          2HG2      ILE  29  -3.803   1.534   6.413
  199   3HG2  ILE  29          3HG2      ILE  29  -4.819   1.357   7.843
  200   1HD1  ILE  29          1HD1      ILE  29  -7.760   1.460   7.740
  201   2HD1  ILE  29          2HD1      ILE  29  -7.952   2.737   8.942
  202   3HD1  ILE  29          3HD1      ILE  29  -6.456   1.803   8.874
  203    H    THR  30           H        THR  30  -2.670   4.008   5.668
  204    HA   THR  30           HA       THR  30  -1.960   2.409   3.306
  205    HB   THR  30           HB       THR  30   0.307   3.613   3.598
  206    HG1  THR  30           HG1      THR  30   0.315   5.436   4.819
  207   1HG2  THR  30          1HG2      THR  30  -1.223   4.061   1.746
  208   2HG2  THR  30          2HG2      THR  30  -0.469   5.553   2.311
  209   3HG2  THR  30          3HG2      THR  30  -2.133   5.180   2.759
  210    H    GLN  31           H        GLN  31  -1.554   0.381   3.927
  211    HA   GLN  31           HA       GLN  31   0.014  -0.023   6.387
  212   1HB   GLN  31          2HB       GLN  31  -2.173  -1.759   5.236
  213   2HB   GLN  31          1HB       GLN  31  -1.129  -2.235   6.565
  214   1HG   GLN  31          2HG       GLN  31  -2.900   0.192   6.601
  215   2HG   GLN  31          1HG       GLN  31  -3.339  -1.373   7.291
  216   1HE2  GLN  31          1HE2      GLN  31  -2.948   1.253   8.570
  217   2HE2  GLN  31          2HE2      GLN  31  -1.754   1.000   9.800
  218    H    TRP  32           H        TRP  32   1.538  -1.692   6.428
  219    HA   TRP  32           HA       TRP  32   2.762  -2.216   3.840
  220   1HB   TRP  32          2HB       TRP  32   3.674  -2.962   6.631
  221   2HB   TRP  32          1HB       TRP  32   4.622  -3.136   5.164
  222    HD1  TRP  32           HD1      TRP  32   2.997  -0.259   7.221
  223    HE1  TRP  32           HE1      TRP  32   4.551   1.785   7.063
  224    HE3  TRP  32           HE3      TRP  32   6.494  -2.138   3.999
  225    HZ2  TRP  32           HZ2      TRP  32   6.936   2.507   5.753
  226    HZ3  TRP  32           HZ3      TRP  32   8.393  -0.706   3.359
  227    HH2  TRP  32           HH2      TRP  32   8.605   1.573   4.218
  228    H    GLU  33           H        GLU  33   0.678  -3.804   6.031
  229    HA   GLU  33           HA       GLU  33   1.741  -6.459   5.426
  230   1HB   GLU  33          2HB       GLU  33   0.373  -7.216   7.319
  231   2HB   GLU  33          1HB       GLU  33   1.485  -5.933   7.772
  232   1HG   GLU  33          2HG       GLU  33  -0.326  -4.311   7.692
  233   2HG   GLU  33          1HG       GLU  33  -1.449  -5.577   7.196
  234    H    ASP  34           H        ASP  34   0.471  -8.153   4.668
  235    HA   ASP  34           HA       ASP  34  -2.100  -7.386   3.485
  236   1HB   ASP  34          2HB       ASP  34  -1.770  -9.346   1.992
  237   2HB   ASP  34          1HB       ASP  34  -0.523  -8.124   1.810
  238    HA   PRO  35           HA       PRO  35  -3.955  -9.707   6.960
  239   1HB   PRO  35          2HB       PRO  35  -6.239  -9.386   5.132
  240   2HB   PRO  35          1HB       PRO  35  -6.081  -8.933   6.826
  241   1HG   PRO  35          2HG       PRO  35  -5.893  -7.226   4.583
  242   2HG   PRO  35          1HG       PRO  35  -5.556  -6.825   6.264
  243   1HD   PRO  35          2HD       PRO  35  -3.707  -6.951   4.146
  244   2HD   PRO  35          1HD       PRO  35  -3.337  -6.780   5.869
  245   1H    GLU 101          1H        GLU 101  14.310   0.910  11.328
  246   2H    GLU 101          2H        GLU 101  14.985   0.674   9.797
  247   3H    GLU 101          3H        GLU 101  14.568  -0.660  10.761
  248    HA   GLU 101           HA       GLU 101  12.975  -0.265   8.968
  249   1HB   GLU 101          2HB       GLU 101  11.940   0.189  11.777
  250   2HB   GLU 101          1HB       GLU 101  10.946  -0.289  10.407
  251   1HG   GLU 101          2HG       GLU 101  12.230  -2.361  10.199
  252   2HG   GLU 101          1HG       GLU 101  13.212  -1.884  11.583
  253    H    GLU 102           H        GLU 102  11.476   1.085   7.978
  254    HA   GLU 102           HA       GLU 102  11.967   3.937   8.499
  255   1HB   GLU 102          2HB       GLU 102  10.947   2.498   6.044
  256   2HB   GLU 102          1HB       GLU 102  11.167   4.240   6.168
  257   1HG   GLU 102          2HG       GLU 102  13.491   4.057   6.253
  258   2HG   GLU 102          1HG       GLU 102  13.430   2.341   6.646
  259    HA   PRO 103           HA       PRO 103   7.676   4.453   9.573
  260   1HB   PRO 103          2HB       PRO 103   7.865   7.261   8.853
  261   2HB   PRO 103          1HB       PRO 103   7.781   6.541  10.463
  262   1HG   PRO 103          2HG       PRO 103  10.007   7.788   9.493
  263   2HG   PRO 103          1HG       PRO 103  10.064   6.479  10.690
  264   1HD   PRO 103          2HD       PRO 103  10.529   6.365   7.728
  265   2HD   PRO 103          1HD       PRO 103  11.422   5.567   9.044
  266    HA   PRO 104           HA       PRO 104   5.620   4.391   5.663
  267   1HB   PRO 104          2HB       PRO 104   3.057   4.521   6.474
  268   2HB   PRO 104          1HB       PRO 104   4.058   3.095   6.765
  269   1HG   PRO 104          2HG       PRO 104   3.306   5.296   8.634
  270   2HG   PRO 104          1HG       PRO 104   3.437   3.556   8.945
  271   1HD   PRO 104          2HD       PRO 104   5.366   5.405   9.610
  272   2HD   PRO 104          1HD       PRO 104   5.681   3.679   9.347
  273    HA   PRO 105           HA       PRO 105   4.563   8.633   4.700
  274   1HB   PRO 105          2HB       PRO 105   3.446   7.720   2.185
  275   2HB   PRO 105          1HB       PRO 105   4.945   8.607   2.462
  276   1HG   PRO 105          2HG       PRO 105   4.864   6.017   1.591
  277   2HG   PRO 105          1HG       PRO 105   6.212   6.698   2.523
  278   1HD   PRO 105          2HD       PRO 105   3.931   4.989   3.452
  279   2HD   PRO 105          1HD       PRO 105   5.648   4.925   3.913
  280    HA   PRO 106           HA       PRO 106   0.279   8.646   5.721
  281   1HB   PRO 106          2HB       PRO 106  -0.307  11.239   5.297
  282   2HB   PRO 106          1HB       PRO 106   0.750  10.723   6.615
  283   1HG   PRO 106          2HG       PRO 106   1.465  11.863   3.947
  284   2HG   PRO 106          1HG       PRO 106   2.163  12.210   5.539
  285   1HD   PRO 106          2HD       PRO 106   3.299  10.524   3.701
  286   2HD   PRO 106          1HD       PRO 106   3.553  10.398   5.454
  287    H    TYR 107           H        TYR 107  -1.748   8.545   4.820
  288    HA   TYR 107           HA       TYR 107  -1.865   8.274   1.964
  289   1HB   TYR 107          2HB       TYR 107  -3.105   6.729   3.416
  290   2HB   TYR 107          1HB       TYR 107  -4.051   8.070   4.054
  291    HD1  TYR 107           HD1      TYR 107  -3.477   5.911   1.142
  292    HD2  TYR 107           HD2      TYR 107  -5.856   9.039   2.761
  293    HE1  TYR 107           HE1      TYR 107  -5.118   5.581  -0.658
  294    HE2  TYR 107           HE2      TYR 107  -7.508   8.718   0.967
  295    HH   TYR 107           HH       TYR 107  -7.571   7.787  -1.355
  296    H    GLU 108           H        GLU 108  -2.669   9.654   0.525
  297    HA   GLU 108           HA       GLU 108  -4.339  11.874   1.289
  298   1HB   GLU 108          2HB       GLU 108  -1.954  12.582   1.749
  299   2HB   GLU 108          1HB       GLU 108  -1.657  12.444   0.024
  300   1HG   GLU 108          2HG       GLU 108  -3.176  14.203  -0.458
  301   2HG   GLU 108          1HG       GLU 108  -3.759  14.234   1.205
  302    H    ASP 109           H        ASP 109  -2.582  10.046  -1.120
  303    HA   ASP 109           HA       ASP 109  -4.391  11.021  -3.210
  304   1HB   ASP 109          2HB       ASP 109  -1.984  11.121  -3.741
  305   2HB   ASP 109          1HB       ASP 109  -1.854   9.384  -3.472
  Start of MODEL    6
    1    HA   PRO   5           HA       PRO   5   0.083 -10.088  -3.558
    2   1HB   PRO   5          2HB       PRO   5  -1.148 -12.662  -2.795
    3   2HB   PRO   5          1HB       PRO   5  -0.548 -12.132  -4.370
    4   1HG   PRO   5          2HG       PRO   5   0.750 -13.986  -2.930
    5   2HG   PRO   5          1HG       PRO   5   1.615 -12.799  -3.924
    6   1HD   PRO   5          2HD       PRO   5   1.168 -12.820  -0.961
    7   2HD   PRO   5          1HD       PRO   5   2.631 -12.399  -1.878
    8    H    LEU   6           H        LEU   6  -1.486  -8.696  -3.028
    9    HA   LEU   6           HA       LEU   6  -2.663  -8.944  -0.391
   10   1HB   LEU   6          2HB       LEU   6  -3.588  -6.616  -0.875
   11   2HB   LEU   6          1HB       LEU   6  -1.866  -6.772  -0.650
   12    HG   LEU   6           HG       LEU   6  -2.513  -5.132  -2.411
   13   1HD1  LEU   6          1HD1      LEU   6  -0.314  -6.141  -2.482
   14   2HD1  LEU   6          2HD1      LEU   6  -0.930  -5.878  -4.114
   15   3HD1  LEU   6          3HD1      LEU   6  -0.941  -7.498  -3.418
   16   1HD2  LEU   6          1HD2      LEU   6  -3.487  -7.554  -3.924
   17   2HD2  LEU   6          2HD2      LEU   6  -3.310  -5.925  -4.577
   18   3HD2  LEU   6          3HD2      LEU   6  -4.484  -6.240  -3.300
   19    HA   PRO   7           HA       PRO   7  -6.768  -9.796  -1.975
   20   1HB   PRO   7          2HB       PRO   7  -8.073  -9.492   0.397
   21   2HB   PRO   7          1HB       PRO   7  -7.110 -10.923   0.022
   22   1HG   PRO   7          2HG       PRO   7  -6.550  -8.756   1.927
   23   2HG   PRO   7          1HG       PRO   7  -5.824 -10.367   1.801
   24   1HD   PRO   7          2HD       PRO   7  -4.786  -7.847   0.871
   25   2HD   PRO   7          1HD       PRO   7  -4.000  -9.435   0.867
   26    HA   PRO   8           HA       PRO   8  -6.715  -5.522  -2.357
   27   1HB   PRO   8          2HB       PRO   8  -7.907  -5.338  -4.851
   28   2HB   PRO   8          1HB       PRO   8  -6.228  -5.774  -4.536
   29   1HG   PRO   8          2HG       PRO   8  -8.327  -7.440  -5.563
   30   2HG   PRO   8          1HG       PRO   8  -6.641  -7.875  -5.250
   31   1HD   PRO   8          2HD       PRO   8  -9.040  -8.400  -3.625
   32   2HD   PRO   8          1HD       PRO   8  -7.460  -9.212  -3.604
   33    H    GLY   9           H        GLY   9  -8.560  -5.311  -0.599
   34   1HA   GLY   9          2HA       GLY   9 -10.033  -3.090  -1.801
   35   2HA   GLY   9          1HA       GLY   9  -9.734  -3.348  -0.069
   36    H    TRP  10           H        TRP  10  -7.073  -4.218  -0.898
   37    HA   TRP  10           HA       TRP  10  -5.564  -1.777  -0.536
   38   1HB   TRP  10          2HB       TRP  10  -4.696  -4.676  -0.760
   39   2HB   TRP  10          1HB       TRP  10  -3.734  -3.348  -0.124
   40    HD1  TRP  10           HD1      TRP  10  -6.433  -5.813   0.799
   41    HE1  TRP  10           HE1      TRP  10  -6.867  -5.712   3.327
   42    HE3  TRP  10           HE3      TRP  10  -3.672  -1.673   1.914
   43    HZ2  TRP  10           HZ2      TRP  10  -6.126  -4.103   5.506
   44    HZ3  TRP  10           HZ3      TRP  10  -3.588  -0.927   4.240
   45    HH2  TRP  10           HH2      TRP  10  -4.788  -2.130   6.004
   46    H    GLU  11           H        GLU  11  -3.676  -1.338  -2.055
   47    HA   GLU  11           HA       GLU  11  -3.895  -2.666  -4.588
   48   1HB   GLU  11          2HB       GLU  11  -4.158  -0.659  -5.923
   49   2HB   GLU  11          1HB       GLU  11  -5.535  -0.783  -4.836
   50   1HG   GLU  11          2HG       GLU  11  -4.889   1.005  -3.584
   51   2HG   GLU  11          1HG       GLU  11  -3.183   0.790  -3.983
   52    H    LYS  12           H        LYS  12  -1.906  -2.388  -5.688
   53    HA   LYS  12           HA       LYS  12   0.070  -1.882  -3.660
   54   1HB   LYS  12          2HB       LYS  12  -0.006  -4.029  -4.897
   55   2HB   LYS  12          1HB       LYS  12   0.313  -3.154  -6.395
   56   1HG   LYS  12          2HG       LYS  12   2.077  -2.862  -4.068
   57   2HG   LYS  12          1HG       LYS  12   2.252  -4.281  -5.116
   58   1HD   LYS  12          2HD       LYS  12   2.365  -2.578  -7.046
   59   2HD   LYS  12          1HD       LYS  12   2.626  -1.367  -5.780
   60   1HE   LYS  12          2HE       LYS  12   4.636  -2.447  -5.082
   61   2HE   LYS  12          1HE       LYS  12   4.317  -3.844  -6.105
   62   1HZ   LYS  12          1HZ       LYS  12   5.962  -2.477  -7.134
   63   2HZ   LYS  12          2HZ       LYS  12   4.980  -1.102  -7.016
   64   3HZ   LYS  12          3HZ       LYS  12   4.533  -2.369  -8.045
   65    H    ARG  13           H        ARG  13   0.824   0.126  -3.552
   66    HA   ARG  13           HA       ARG  13   1.546   1.456  -6.079
   67   1HB   ARG  13          2HB       ARG  13   0.299   2.751  -3.657
   68   2HB   ARG  13          1HB       ARG  13   0.991   3.637  -5.003
   69   1HG   ARG  13          2HG       ARG  13  -0.646   2.726  -6.510
   70   2HG   ARG  13          1HG       ARG  13  -1.303   1.706  -5.230
   71   1HD   ARG  13          2HD       ARG  13  -2.734   3.606  -5.514
   72   2HD   ARG  13          1HD       ARG  13  -1.899   3.756  -3.974
   73    HE   ARG  13           HE       ARG  13  -0.337   5.288  -5.324
   74   1HH1  ARG  13          1HH1      ARG  13  -3.765   4.896  -5.867
   75   2HH1  ARG  13          2HH1      ARG  13  -3.995   6.521  -6.436
   76   1HH2  ARG  13          1HH2      ARG  13  -0.635   7.461  -6.070
   77   2HH2  ARG  13          2HH2      ARG  13  -2.227   7.974  -6.558
   78    H    THR  14           H        THR  14   3.445   2.346  -6.182
   79    HA   THR  14           HA       THR  14   5.280   2.203  -3.945
   80    HB   THR  14           HB       THR  14   6.601   3.456  -6.042
   81    HG1  THR  14           HG1      THR  14   5.787   2.771  -7.882
   82   1HG2  THR  14          1HG2      THR  14   7.459   1.626  -4.631
   83   2HG2  THR  14          2HG2      THR  14   7.762   1.350  -6.343
   84   3HG2  THR  14          3HG2      THR  14   6.455   0.484  -5.527
   85    H    ASP  15           H        ASP  15   6.258   4.031  -3.025
   86    HA   ASP  15           HA       ASP  15   5.062   6.603  -3.721
   87   1HB   ASP  15          2HB       ASP  15   6.342   7.567  -1.892
   88   2HB   ASP  15          1HB       ASP  15   5.507   6.141  -1.300
   89    H    SER  16           H        SER  16   6.720   8.377  -4.306
   90    HA   SER  16           HA       SER  16   6.754   7.879  -6.869
   91   1HB   SER  16          2HB       SER  16   8.602   9.603  -7.137
   92   2HB   SER  16          1HB       SER  16   7.198  10.075  -6.179
   93    HG   SER  16           HG       SER  16   8.501   9.389  -4.306
   94    H    ASN  17           H        ASN  17   9.812   7.197  -5.045
   95    HA   ASN  17           HA       ASN  17  10.872   6.161  -7.561
   96   1HB   ASN  17          2HB       ASN  17  12.291   7.676  -6.256
   97   2HB   ASN  17          1HB       ASN  17  12.239   6.559  -4.897
   98   1HD2  ASN  17          1HD2      ASN  17  14.413   6.225  -4.829
   99   2HD2  ASN  17          2HD2      ASN  17  15.285   5.361  -6.049
  100    H    GLY  18           H        GLY  18  11.272   4.981  -4.235
  101   1HA   GLY  18          2HA       GLY  18  11.704   2.341  -5.384
  102   2HA   GLY  18          1HA       GLY  18  12.210   2.870  -3.799
  103    H    ARG  19           H        ARG  19   9.641   3.657  -2.784
  104    HA   ARG  19           HA       ARG  19   9.464   0.908  -1.811
  105   1HB   ARG  19          2HB       ARG  19  10.117   2.563  -0.225
  106   2HB   ARG  19          1HB       ARG  19   8.706   3.544  -0.582
  107   1HG   ARG  19          2HG       ARG  19   7.348   1.531   0.246
  108   2HG   ARG  19          1HG       ARG  19   8.873   0.975   0.939
  109   1HD   ARG  19          2HD       ARG  19   7.647   3.680   1.451
  110   2HD   ARG  19          1HD       ARG  19   7.459   2.285   2.511
  111    HE   ARG  19           HE       ARG  19   9.739   2.446   3.096
  112   1HH1  ARG  19          1HH1      ARG  19   8.770   4.971   0.847
  113   2HH1  ARG  19          2HH1      ARG  19  10.066   6.031   1.314
  114   1HH2  ARG  19          1HH2      ARG  19  11.417   3.812   3.697
  115   2HH2  ARG  19          2HH2      ARG  19  11.582   5.373   2.943
  116    H    VAL  20           H        VAL  20   7.739  -0.349  -1.829
  117    HA   VAL  20           HA       VAL  20   5.183   0.752  -2.712
  118    HB   VAL  20           HB       VAL  20   5.791  -1.314  -3.811
  119   1HG1  VAL  20          1HG1      VAL  20   5.916  -2.528  -1.053
  120   2HG1  VAL  20          2HG1      VAL  20   7.284  -2.242  -2.129
  121   3HG1  VAL  20          3HG1      VAL  20   6.045  -3.418  -2.568
  122   1HG2  VAL  20          1HG2      VAL  20   3.400  -0.979  -3.375
  123   2HG2  VAL  20          2HG2      VAL  20   3.561  -1.764  -1.805
  124   3HG2  VAL  20          3HG2      VAL  20   3.807  -2.693  -3.282
  125    H    TYR  21           H        TYR  21   3.391   0.748  -1.523
  126    HA   TYR  21           HA       TYR  21   3.348  -0.508   1.075
  127   1HB   TYR  21          2HB       TYR  21   2.337   1.554   2.076
  128   2HB   TYR  21          1HB       TYR  21   4.033   1.724   1.640
  129    HD1  TYR  21           HD1      TYR  21   4.676   3.076  -0.339
  130    HD2  TYR  21           HD2      TYR  21   0.633   2.873   0.989
  131    HE1  TYR  21           HE1      TYR  21   4.136   5.063  -1.680
  132    HE2  TYR  21           HE2      TYR  21   0.091   4.858  -0.356
  133    HH   TYR  21           HH       TYR  21   2.216   6.130  -2.704
  134    H    PHE  22           H        PHE  22   1.243  -1.047   1.762
  135    HA   PHE  22           HA       PHE  22  -0.498  -1.433  -0.540
  136   1HB   PHE  22          2HB       PHE  22  -0.482  -2.654   2.233
  137   2HB   PHE  22          1HB       PHE  22  -1.721  -2.993   1.032
  138    HD1  PHE  22           HD1      PHE  22   1.581  -2.494  -0.309
  139    HD2  PHE  22           HD2      PHE  22  -1.039  -5.390   1.383
  140    HE1  PHE  22           HE1      PHE  22   2.973  -4.291  -1.240
  141    HE2  PHE  22           HE2      PHE  22   0.352  -7.190   0.453
  142    HZ   PHE  22           HZ       PHE  22   2.362  -6.644  -0.857
  143    H    VAL  23           H        VAL  23  -1.894   0.047  -0.918
  144    HA   VAL  23           HA       VAL  23  -2.872   1.724   1.262
  145    HB   VAL  23           HB       VAL  23  -2.108   3.305  -0.131
  146   1HG1  VAL  23          1HG1      VAL  23  -0.936   1.598  -1.495
  147   2HG1  VAL  23          2HG1      VAL  23  -1.474   2.985  -2.436
  148   3HG1  VAL  23          3HG1      VAL  23  -2.367   1.469  -2.517
  149   1HG2  VAL  23          1HG2      VAL  23  -4.562   2.560  -1.714
  150   2HG2  VAL  23          2HG2      VAL  23  -3.655   4.059  -1.899
  151   3HG2  VAL  23          3HG2      VAL  23  -4.468   3.705  -0.376
  152    H    ASN  24           H        ASN  24  -4.874   1.593   1.926
  153    HA   ASN  24           HA       ASN  24  -6.798   0.055   0.314
  154   1HB   ASN  24          2HB       ASN  24  -6.259  -0.722   2.656
  155   2HB   ASN  24          1HB       ASN  24  -6.988   0.766   3.252
  156   1HD2  ASN  24          1HD2      ASN  24  -7.535  -2.362   1.967
  157   2HD2  ASN  24          2HD2      ASN  24  -9.258  -2.358   2.112
  158    H    HIS  25           H        HIS  25  -8.575   1.040  -0.497
  159    HA   HIS  25           HA       HIS  25  -8.743   3.924  -0.162
  160   1HB   HIS  25          2HB       HIS  25  -9.947   1.976  -2.096
  161   2HB   HIS  25          1HB       HIS  25 -10.583   3.613  -1.962
  162    HD1  HIS  25           HD1      HIS  25  -9.585   5.151  -3.602
  163    HD2  HIS  25           HD2      HIS  25  -6.921   2.167  -2.466
  164    HE1  HIS  25           HE1      HIS  25  -7.485   5.563  -4.922
  165    HE2  HIS  25           HE2      HIS  25  -5.982   3.619  -4.385
  166    H    ASN  26           H        ASN  26 -10.403   1.148   0.984
  167    HA   ASN  26           HA       ASN  26 -12.909   2.456   1.470
  168   1HB   ASN  26          2HB       ASN  26 -12.722  -0.015   1.202
  169   2HB   ASN  26          1HB       ASN  26 -11.834  -0.084   2.721
  170   1HD2  ASN  26          1HD2      ASN  26 -13.372  -1.383   3.706
  171   2HD2  ASN  26          2HD2      ASN  26 -14.913  -0.778   4.194
  172    H    THR  27           H        THR  27 -10.088   1.583   3.423
  173    HA   THR  27           HA       THR  27 -11.145   2.971   5.749
  174    HB   THR  27           HB       THR  27  -9.126   2.226   6.873
  175    HG1  THR  27           HG1      THR  27  -7.864   0.602   5.553
  176   1HG2  THR  27          1HG2      THR  27  -9.574  -0.189   6.785
  177   2HG2  THR  27          2HG2      THR  27 -10.532   0.058   5.324
  178   3HG2  THR  27          3HG2      THR  27 -11.057   0.761   6.856
  179    H    ARG  28           H        ARG  28  -9.119   3.634   3.084
  180    HA   ARG  28           HA       ARG  28  -7.908   5.438   2.422
  181   1HB   ARG  28          2HB       ARG  28  -8.900   6.806   4.936
  182   2HB   ARG  28          1HB       ARG  28  -8.211   7.582   3.517
  183   1HG   ARG  28          2HG       ARG  28 -10.115   7.075   2.199
  184   2HG   ARG  28          1HG       ARG  28 -10.751   5.978   3.427
  185   1HD   ARG  28          2HD       ARG  28 -10.493   8.974   3.608
  186   2HD   ARG  28          1HD       ARG  28 -11.982   8.031   3.548
  187    HE   ARG  28           HE       ARG  28 -10.295   7.341   5.763
  188   1HH1  ARG  28          1HH1      ARG  28 -12.802   9.540   4.670
  189   2HH1  ARG  28          2HH1      ARG  28 -13.328   9.929   6.281
  190   1HH2  ARG  28          1HH2      ARG  28 -10.973   7.895   7.875
  191   2HH2  ARG  28          2HH2      ARG  28 -12.268   9.029   8.098
  192    H    ILE  29           H        ILE  29  -6.844   3.338   4.096
  193    HA   ILE  29           HA       ILE  29  -4.784   4.784   5.635
  194    HB   ILE  29           HB       ILE  29  -6.025   2.081   6.157
  195   1HG1  ILE  29          2HG1      ILE  29  -7.337   3.954   6.973
  196   2HG1  ILE  29          1HG1      ILE  29  -6.620   3.097   8.334
  197   1HG2  ILE  29          1HG2      ILE  29  -4.509   1.946   8.126
  198   2HG2  ILE  29          2HG2      ILE  29  -3.622   3.328   7.482
  199   3HG2  ILE  29          3HG2      ILE  29  -3.676   1.813   6.576
  200   1HD1  ILE  29          1HD1      ILE  29  -4.898   4.818   8.507
  201   2HD1  ILE  29          2HD1      ILE  29  -6.518   5.503   8.644
  202   3HD1  ILE  29          3HD1      ILE  29  -5.612   5.672   7.140
  203    H    THR  30           H        THR  30  -2.685   4.337   5.277
  204    HA   THR  30           HA       THR  30  -2.030   2.353   3.225
  205    HB   THR  30           HB       THR  30   0.242   3.615   3.337
  206    HG1  THR  30           HG1      THR  30   0.276   5.414   4.483
  207   1HG2  THR  30          1HG2      THR  30  -2.255   4.925   2.255
  208   2HG2  THR  30          2HG2      THR  30  -1.250   3.739   1.425
  209   3HG2  THR  30          3HG2      THR  30  -0.610   5.342   1.784
  210    H    GLN  31           H        GLN  31  -1.166   0.482   3.859
  211    HA   GLN  31           HA       GLN  31   0.278   0.375   6.424
  212   1HB   GLN  31          2HB       GLN  31  -1.867  -1.540   5.484
  213   2HB   GLN  31          1HB       GLN  31  -0.821  -1.828   6.860
  214   1HG   GLN  31          2HG       GLN  31  -2.599   0.567   6.660
  215   2HG   GLN  31          1HG       GLN  31  -3.117  -0.958   7.375
  216   1HE2  GLN  31          1HE2      GLN  31  -0.994   1.795   7.696
  217   2HE2  GLN  31          2HE2      GLN  31  -0.629   1.555   9.371
  218    H    TRP  32           H        TRP  32   1.881  -1.271   6.582
  219    HA   TRP  32           HA       TRP  32   3.200  -1.846   4.107
  220   1HB   TRP  32          2HB       TRP  32   3.740  -2.910   6.894
  221   2HB   TRP  32          1HB       TRP  32   4.809  -3.106   5.514
  222    HD1  TRP  32           HD1      TRP  32   3.661  -0.535   8.071
  223    HE1  TRP  32           HE1      TRP  32   5.289   1.464   8.021
  224    HE3  TRP  32           HE3      TRP  32   6.407  -1.842   3.975
  225    HZ2  TRP  32           HZ2      TRP  32   7.467   2.358   6.445
  226    HZ3  TRP  32           HZ3      TRP  32   8.248  -0.375   3.264
  227    HH2  TRP  32           HH2      TRP  32   8.765   1.681   4.473
  228    H    GLU  33           H        GLU  33   1.715  -3.918   6.605
  229    HA   GLU  33           HA       GLU  33   2.081  -6.254   4.904
  230   1HB   GLU  33          2HB       GLU  33   0.717  -6.392   7.560
  231   2HB   GLU  33          1HB       GLU  33   1.769  -7.565   6.789
  232   1HG   GLU  33          2HG       GLU  33   3.180  -6.850   8.394
  233   2HG   GLU  33          1HG       GLU  33   3.550  -5.635   7.170
  234    H    ASP  34           H        ASP  34   0.393  -7.659   4.283
  235    HA   ASP  34           HA       ASP  34  -2.221  -6.329   4.179
  236   1HB   ASP  34          2HB       ASP  34  -2.683  -7.408   2.156
  237   2HB   ASP  34          1HB       ASP  34  -0.981  -6.988   2.025
  238    HA   PRO  35           HA       PRO  35  -4.059  -9.203   6.996
  239   1HB   PRO  35          2HB       PRO  35  -6.427  -9.060   5.254
  240   2HB   PRO  35          1HB       PRO  35  -6.261  -8.659   6.962
  241   1HG   PRO  35          2HG       PRO  35  -6.488  -6.803   4.977
  242   2HG   PRO  35          1HG       PRO  35  -5.699  -6.508   6.520
  243   1HD   PRO  35          2HD       PRO  35  -4.528  -6.803   3.857
  244   2HD   PRO  35          1HD       PRO  35  -3.849  -6.063   5.311
  245   1H    GLU 101          1H        GLU 101  14.671   0.951  12.122
  246   2H    GLU 101          2H        GLU 101  14.657   0.259  10.573
  247   3H    GLU 101          3H        GLU 101  14.493  -0.727  11.940
  248    HA   GLU 101           HA       GLU 101  12.382  -0.418  10.831
  249   1HB   GLU 101          2HB       GLU 101  12.328   1.134  13.415
  250   2HB   GLU 101          1HB       GLU 101  11.113   0.038  12.774
  251   1HG   GLU 101          2HG       GLU 101  13.775  -0.666  13.986
  252   2HG   GLU 101          1HG       GLU 101  12.167  -1.075  14.581
  253    H    GLU 102           H        GLU 102  11.296   0.881   9.460
  254    HA   GLU 102           HA       GLU 102  11.745   3.783   9.723
  255   1HB   GLU 102          2HB       GLU 102  11.375   3.898   7.248
  256   2HB   GLU 102          1HB       GLU 102  12.831   3.046   7.733
  257   1HG   GLU 102          2HG       GLU 102  11.590   0.902   7.424
  258   2HG   GLU 102          1HG       GLU 102  10.252   1.841   6.759
  259    HA   PRO 103           HA       PRO 103   7.386   4.290  10.137
  260   1HB   PRO 103          2HB       PRO 103   7.567   7.002   9.132
  261   2HB   PRO 103          1HB       PRO 103   7.382   6.453  10.800
  262   1HG   PRO 103          2HG       PRO 103   9.636   7.662   9.855
  263   2HG   PRO 103          1HG       PRO 103   9.631   6.508  11.200
  264   1HD   PRO 103          2HD       PRO 103  10.334   6.059   8.319
  265   2HD   PRO 103          1HD       PRO 103  11.142   5.456   9.783
  266    HA   PRO 104           HA       PRO 104   5.567   3.812   6.113
  267   1HB   PRO 104          2HB       PRO 104   2.969   3.970   6.758
  268   2HB   PRO 104          1HB       PRO 104   3.971   2.603   7.264
  269   1HG   PRO 104          2HG       PRO 104   3.129   5.014   8.833
  270   2HG   PRO 104          1HG       PRO 104   3.164   3.313   9.335
  271   1HD   PRO 104          2HD       PRO 104   5.120   5.118   9.968
  272   2HD   PRO 104          1HD       PRO 104   5.411   3.375   9.806
  273    HA   PRO 105           HA       PRO 105   4.620   7.912   4.619
  274   1HB   PRO 105          2HB       PRO 105   3.639   6.695   2.170
  275   2HB   PRO 105          1HB       PRO 105   5.128   7.606   2.435
  276   1HG   PRO 105          2HG       PRO 105   5.111   4.942   1.903
  277   2HG   PRO 105          1HG       PRO 105   6.359   5.718   2.889
  278   1HD   PRO 105          2HD       PRO 105   3.942   4.179   3.773
  279   2HD   PRO 105          1HD       PRO 105   5.610   4.102   4.385
  280    HA   PRO 106           HA       PRO 106   0.244   8.325   5.191
  281   1HB   PRO 106          2HB       PRO 106   0.354  10.970   4.022
  282   2HB   PRO 106          1HB       PRO 106   0.191  10.518   5.719
  283   1HG   PRO 106          2HG       PRO 106   2.411  11.719   4.690
  284   2HG   PRO 106          1HG       PRO 106   2.442  10.649   6.102
  285   1HD   PRO 106          2HD       PRO 106   3.147  10.042   3.251
  286   2HD   PRO 106          1HD       PRO 106   3.967   9.536   4.746
  287    H    TYR 107           H        TYR 107  -1.667   8.250   4.086
  288    HA   TYR 107           HA       TYR 107  -1.608   7.789   1.254
  289   1HB   TYR 107          2HB       TYR 107  -3.068   6.447   2.654
  290   2HB   TYR 107          1HB       TYR 107  -3.868   7.883   3.267
  291    HD1  TYR 107           HD1      TYR 107  -3.254   6.089   0.032
  292    HD2  TYR 107           HD2      TYR 107  -5.872   8.527   2.339
  293    HE1  TYR 107           HE1      TYR 107  -4.967   5.899  -1.719
  294    HE2  TYR 107           HE2      TYR 107  -7.592   8.344   0.595
  295    HH   TYR 107           HH       TYR 107  -7.661   7.901  -1.871
  296    H    GLU 108           H        GLU 108  -4.062   9.708   2.862
  297    HA   GLU 108           HA       GLU 108  -5.096  11.635   2.326
  298   1HB   GLU 108          2HB       GLU 108  -2.219  12.486   2.076
  299   2HB   GLU 108          1HB       GLU 108  -3.576  13.605   2.113
  300   1HG   GLU 108          2HG       GLU 108  -4.215  12.699   4.321
  301   2HG   GLU 108          1HG       GLU 108  -2.773  11.689   4.291
  302    H    ASP 109           H        ASP 109  -6.043  10.742   0.406
  303    HA   ASP 109           HA       ASP 109  -5.777  12.632  -1.710
  304   1HB   ASP 109          2HB       ASP 109  -4.018  10.877  -2.296
  305   2HB   ASP 109          1HB       ASP 109  -5.350   9.753  -2.517
  Start of MODEL    7
    1    HA   PRO   5           HA       PRO   5  -0.418 -10.906  -3.108
    2   1HB   PRO   5          2HB       PRO   5  -2.395 -12.555  -4.050
    3   2HB   PRO   5          1HB       PRO   5  -0.681 -12.791  -4.404
    4   1HG   PRO   5          2HG       PRO   5  -2.403 -14.150  -2.372
    5   2HG   PRO   5          1HG       PRO   5  -1.155 -14.839  -3.428
    6   1HD   PRO   5          2HD       PRO   5  -0.701 -14.295  -0.820
    7   2HD   PRO   5          1HD       PRO   5   0.567 -14.144  -2.053
    8    H    LEU   6           H        LEU   6  -2.109  -9.355  -3.300
    9    HA   LEU   6           HA       LEU   6  -3.624  -9.302  -0.826
   10   1HB   LEU   6          2HB       LEU   6  -4.075  -6.907  -1.316
   11   2HB   LEU   6          1HB       LEU   6  -2.391  -7.304  -1.125
   12    HG   LEU   6           HG       LEU   6  -2.774  -5.580  -2.840
   13   1HD1  LEU   6          1HD1      LEU   6  -1.712  -8.173  -3.955
   14   2HD1  LEU   6          2HD1      LEU   6  -0.809  -6.974  -3.029
   15   3HD1  LEU   6          3HD1      LEU   6  -1.431  -6.570  -4.628
   16   1HD2  LEU   6          1HD2      LEU   6  -4.247  -7.730  -4.359
   17   2HD2  LEU   6          2HD2      LEU   6  -3.783  -6.151  -4.988
   18   3HD2  LEU   6          3HD2      LEU   6  -4.943  -6.265  -3.667
   19    HA   PRO   7           HA       PRO   7  -7.553  -9.765  -2.845
   20   1HB   PRO   7          2HB       PRO   7  -9.056  -9.228  -0.622
   21   2HB   PRO   7          1HB       PRO   7  -8.231 -10.767  -0.874
   22   1HG   PRO   7          2HG       PRO   7  -7.641  -8.675   1.064
   23   2HG   PRO   7          1HG       PRO   7  -7.008 -10.323   0.971
   24   1HD   PRO   7          2HD       PRO   7  -5.775  -7.833   0.101
   25   2HD   PRO   7          1HD       PRO   7  -5.041  -9.438   0.266
   26    HA   PRO   8           HA       PRO   8  -7.162  -5.495  -3.296
   27   1HB   PRO   8          2HB       PRO   8  -8.002  -5.259  -5.894
   28   2HB   PRO   8          1HB       PRO   8  -6.432  -5.880  -5.394
   29   1HG   PRO   8          2HG       PRO   8  -8.654  -7.311  -6.585
   30   2HG   PRO   8          1HG       PRO   8  -7.010  -7.881  -6.273
   31   1HD   PRO   8          2HD       PRO   8  -9.444  -8.366  -4.740
   32   2HD   PRO   8          1HD       PRO   8  -7.859  -9.155  -4.604
   33    H    GLY   9           H        GLY   9  -9.176  -5.234  -1.762
   34   1HA   GLY   9          2HA       GLY   9 -10.372  -2.955  -3.143
   35   2HA   GLY   9          1HA       GLY   9 -10.320  -3.218  -1.387
   36    H    TRP  10           H        TRP  10  -7.591  -4.225  -1.823
   37    HA   TRP  10           HA       TRP  10  -6.090  -1.795  -1.372
   38   1HB   TRP  10          2HB       TRP  10  -5.216  -4.696  -1.291
   39   2HB   TRP  10          1HB       TRP  10  -4.324  -3.322  -0.659
   40    HD1  TRP  10           HD1      TRP  10  -7.521  -5.371   0.084
   41    HE1  TRP  10           HE1      TRP  10  -8.015  -5.153   2.602
   42    HE3  TRP  10           HE3      TRP  10  -3.914  -1.990   1.311
   43    HZ2  TRP  10           HZ2      TRP  10  -6.978  -3.750   4.819
   44    HZ3  TRP  10           HZ3      TRP  10  -3.719  -1.273   3.642
   45    HH2  TRP  10           HH2      TRP  10  -5.209  -2.136   5.365
   46    H    GLU  11           H        GLU  11  -4.198  -1.294  -2.529
   47    HA   GLU  11           HA       GLU  11  -3.777  -2.703  -5.052
   48   1HB   GLU  11          2HB       GLU  11  -3.528  -0.480  -6.168
   49   2HB   GLU  11          1HB       GLU  11  -5.167  -0.814  -5.616
   50   1HG   GLU  11          2HG       GLU  11  -4.374   0.410  -3.475
   51   2HG   GLU  11          1HG       GLU  11  -3.167   1.105  -4.557
   52    H    LYS  12           H        LYS  12  -1.654  -2.639  -5.779
   53    HA   LYS  12           HA       LYS  12   0.245  -2.272  -3.619
   54   1HB   LYS  12          2HB       LYS  12   0.078  -4.369  -4.954
   55   2HB   LYS  12          1HB       LYS  12   0.522  -3.462  -6.392
   56   1HG   LYS  12          2HG       LYS  12   2.491  -4.478  -5.707
   57   2HG   LYS  12          1HG       LYS  12   2.593  -2.812  -5.131
   58   1HD   LYS  12          2HD       LYS  12   2.056  -3.427  -2.916
   59   2HD   LYS  12          1HD       LYS  12   1.581  -5.056  -3.412
   60   1HE   LYS  12          2HE       LYS  12   4.377  -3.914  -3.489
   61   2HE   LYS  12          1HE       LYS  12   3.768  -5.080  -2.318
   62   1HZ   LYS  12          1HZ       LYS  12   4.035  -5.535  -5.246
   63   2HZ   LYS  12          2HZ       LYS  12   3.440  -6.660  -4.126
   64   3HZ   LYS  12          3HZ       LYS  12   5.059  -6.156  -4.046
   65    H    ARG  13           H        ARG  13   0.756  -0.089  -3.517
   66    HA   ARG  13           HA       ARG  13   1.631   1.167  -6.030
   67   1HB   ARG  13          2HB       ARG  13   0.156   2.449  -3.735
   68   2HB   ARG  13          1HB       ARG  13   0.861   3.337  -5.079
   69   1HG   ARG  13          2HG       ARG  13  -0.611   2.284  -6.635
   70   2HG   ARG  13          1HG       ARG  13  -1.232   1.202  -5.386
   71   1HD   ARG  13          2HD       ARG  13  -2.825   2.948  -5.739
   72   2HD   ARG  13          1HD       ARG  13  -2.077   3.182  -4.163
   73    HE   ARG  13           HE       ARG  13  -0.606   4.848  -5.482
   74   1HH1  ARG  13          1HH1      ARG  13  -3.966   4.140  -6.126
   75   2HH1  ARG  13          2HH1      ARG  13  -4.342   5.755  -6.681
   76   1HH2  ARG  13          1HH2      ARG  13  -1.098   7.002  -6.176
   77   2HH2  ARG  13          2HH2      ARG  13  -2.718   7.380  -6.671
   78    H    THR  14           H        THR  14   3.349   2.467  -6.040
   79    HA   THR  14           HA       THR  14   5.181   2.308  -3.781
   80    HB   THR  14           HB       THR  14   6.609   3.590  -5.661
   81    HG1  THR  14           HG1      THR  14   5.991   3.012  -7.706
   82   1HG2  THR  14          1HG2      THR  14   6.126   0.617  -5.829
   83   2HG2  THR  14          2HG2      THR  14   7.108   1.392  -4.583
   84   3HG2  THR  14          3HG2      THR  14   7.593   1.495  -6.275
   85    H    ASP  15           H        ASP  15   6.070   4.140  -2.796
   86    HA   ASP  15           HA       ASP  15   4.884   6.718  -3.495
   87   1HB   ASP  15          2HB       ASP  15   6.099   7.672  -1.602
   88   2HB   ASP  15          1HB       ASP  15   5.171   6.279  -1.066
   89    H    SER  16           H        SER  16   6.752   8.509  -3.920
   90    HA   SER  16           HA       SER  16   6.466   8.057  -6.481
   91   1HB   SER  16          2HB       SER  16   8.424   9.629  -6.907
   92   2HB   SER  16          1HB       SER  16   7.176  10.195  -5.794
   93    HG   SER  16           HG       SER  16   9.541  10.350  -5.191
   94    H    ASN  17           H        ASN  17   9.713   7.188  -5.051
   95    HA   ASN  17           HA       ASN  17  10.251   6.047  -7.672
   96   1HB   ASN  17          2HB       ASN  17  12.608   5.726  -6.691
   97   2HB   ASN  17          1HB       ASN  17  12.062   7.349  -7.089
   98   1HD2  ASN  17          1HD2      ASN  17  13.421   8.396  -5.705
   99   2HD2  ASN  17          2HD2      ASN  17  13.264   8.302  -3.980
  100    H    GLY  18           H        GLY  18  11.144   4.850  -4.433
  101   1HA   GLY  18          2HA       GLY  18  11.444   2.239  -5.695
  102   2HA   GLY  18          1HA       GLY  18  12.182   2.743  -4.190
  103    H    ARG  19           H        ARG  19   9.651   3.596  -2.965
  104    HA   ARG  19           HA       ARG  19   9.541   0.921  -1.813
  105   1HB   ARG  19          2HB       ARG  19  10.250   2.703  -0.387
  106   2HB   ARG  19          1HB       ARG  19   8.842   3.649  -0.815
  107   1HG   ARG  19          2HG       ARG  19   7.404   2.136   0.355
  108   2HG   ARG  19          1HG       ARG  19   8.793   1.135   0.799
  109   1HD   ARG  19          2HD       ARG  19   7.979   2.853   2.496
  110   2HD   ARG  19          1HD       ARG  19   9.706   2.817   2.167
  111    HE   ARG  19           HE       ARG  19   8.199   4.679   0.545
  112   1HH1  ARG  19          1HH1      ARG  19   9.898   4.288   3.602
  113   2HH1  ARG  19          2HH1      ARG  19  10.238   5.979   3.762
  114   1HH2  ARG  19          1HH2      ARG  19   8.702   6.873   0.731
  115   2HH2  ARG  19          2HH2      ARG  19   9.541   7.456   2.149
  116    H    VAL  20           H        VAL  20   7.818  -0.292  -1.627
  117    HA   VAL  20           HA       VAL  20   5.287   0.774  -2.647
  118    HB   VAL  20           HB       VAL  20   6.379  -0.909  -4.122
  119   1HG1  VAL  20          1HG1      VAL  20   6.317  -3.272  -3.461
  120   2HG1  VAL  20          2HG1      VAL  20   5.822  -2.792  -1.839
  121   3HG1  VAL  20          3HG1      VAL  20   7.407  -2.320  -2.450
  122   1HG2  VAL  20          1HG2      VAL  20   4.352  -2.216  -4.513
  123   2HG2  VAL  20          2HG2      VAL  20   3.975  -0.519  -4.197
  124   3HG2  VAL  20          3HG2      VAL  20   3.732  -1.727  -2.934
  125    H    TYR  21           H        TYR  21   3.397   0.159  -1.677
  126    HA   TYR  21           HA       TYR  21   3.430  -1.269   0.815
  127   1HB   TYR  21          2HB       TYR  21   2.548   0.696   2.092
  128   2HB   TYR  21          1HB       TYR  21   4.229   0.835   1.593
  129    HD1  TYR  21           HD2      TYR  21   0.782   1.940   0.663
  130    HD2  TYR  21           HD1      TYR  21   4.976   2.659   0.383
  131    HE1  TYR  21           HE2      TYR  21   0.341   4.117  -0.394
  132    HE2  TYR  21           HE1      TYR  21   4.537   4.831  -0.662
  133    HH   TYR  21           HH       TYR  21   2.803   5.956  -1.903
  134    H    PHE  22           H        PHE  22   1.287  -1.682   1.677
  135    HA   PHE  22           HA       PHE  22  -0.563  -1.975  -0.567
  136   1HB   PHE  22          2HB       PHE  22  -0.546  -3.167   2.222
  137   2HB   PHE  22          1HB       PHE  22  -1.851  -3.418   1.075
  138    HD1  PHE  22           HD1      PHE  22   1.609  -3.322  -0.108
  139    HD2  PHE  22           HD2      PHE  22  -1.584  -5.813   1.207
  140    HE1  PHE  22           HE1      PHE  22   2.801  -5.302  -0.949
  141    HE2  PHE  22           HE2      PHE  22  -0.395  -7.788   0.369
  142    HZ   PHE  22           HZ       PHE  22   1.803  -7.537  -0.711
  143    H    VAL  23           H        VAL  23  -1.930  -0.411  -0.870
  144    HA   VAL  23           HA       VAL  23  -2.895   1.134   1.437
  145    HB   VAL  23           HB       VAL  23  -1.391   2.530   0.253
  146   1HG1  VAL  23          1HG1      VAL  23  -2.778   1.706  -2.306
  147   2HG1  VAL  23          2HG1      VAL  23  -1.184   1.172  -1.768
  148   3HG1  VAL  23          3HG1      VAL  23  -1.452   2.868  -2.172
  149   1HG2  VAL  23          1HG2      VAL  23  -3.463   3.655   0.838
  150   2HG2  VAL  23          2HG2      VAL  23  -4.174   3.193  -0.708
  151   3HG2  VAL  23          3HG2      VAL  23  -2.810   4.308  -0.664
  152    H    ASN  24           H        ASN  24  -5.045   1.627   1.528
  153    HA   ASN  24           HA       ASN  24  -6.750   0.810  -0.726
  154   1HB   ASN  24          2HB       ASN  24  -6.757  -0.912   1.111
  155   2HB   ASN  24          1HB       ASN  24  -7.376   0.322   2.199
  156   1HD2  ASN  24          1HD2      ASN  24  -8.530  -2.217   1.358
  157   2HD2  ASN  24          2HD2      ASN  24 -10.077  -1.833   0.689
  158    H    HIS  25           H        HIS  25  -8.231   2.341  -1.269
  159    HA   HIS  25           HA       HIS  25  -8.066   4.877   0.121
  160   1HB   HIS  25          2HB       HIS  25  -9.707   4.110  -2.302
  161   2HB   HIS  25          1HB       HIS  25  -9.476   5.745  -1.701
  162    HD1  HIS  25           HD1      HIS  25  -7.139   6.861  -2.159
  163    HD2  HIS  25           HD2      HIS  25  -7.617   3.059  -3.777
  164    HE1  HIS  25           HE1      HIS  25  -5.233   6.564  -3.775
  165    HE2  HIS  25           HE2      HIS  25  -5.560   4.260  -4.765
  166    H    ASN  26           H        ASN  26 -10.208   2.187   0.059
  167    HA   ASN  26           HA       ASN  26 -12.497   3.639   1.028
  168   1HB   ASN  26          2HB       ASN  26 -11.941   0.662   1.014
  169   2HB   ASN  26          1HB       ASN  26 -13.486   1.406   1.415
  170   1HD2  ASN  26          1HD2      ASN  26 -14.700   2.406  -0.242
  171   2HD2  ASN  26          2HD2      ASN  26 -14.405   2.033  -1.903
  172    H    THR  27           H        THR  27  -9.786   1.941   2.410
  173    HA   THR  27           HA       THR  27 -10.795   2.287   5.116
  174    HB   THR  27           HB       THR  27  -8.726   1.262   5.844
  175    HG1  THR  27           HG1      THR  27  -7.091   0.845   4.474
  176   1HG2  THR  27          1HG2      THR  27  -9.062  -0.961   4.879
  177   2HG2  THR  27          2HG2      THR  27 -10.005  -0.256   3.568
  178   3HG2  THR  27          3HG2      THR  27 -10.605  -0.180   5.224
  179    H    ARG  28           H        ARG  28  -8.663   3.778   2.840
  180    HA   ARG  28           HA       ARG  28  -7.467   5.682   2.782
  181   1HB   ARG  28          2HB       ARG  28  -9.015   6.405   5.276
  182   2HB   ARG  28          1HB       ARG  28  -8.008   7.513   4.352
  183   1HG   ARG  28          2HG       ARG  28  -9.489   6.962   2.366
  184   2HG   ARG  28          1HG       ARG  28 -10.585   6.212   3.524
  185   1HD   ARG  28          2HD       ARG  28  -9.688   9.085   3.463
  186   2HD   ARG  28          1HD       ARG  28 -11.298   8.465   3.106
  187    HE   ARG  28           HE       ARG  28 -10.101   8.197   5.785
  188   1HH1  ARG  28          1HH1      ARG  28 -12.726   9.202   3.687
  189   2HH1  ARG  28          2HH1      ARG  28 -13.775   9.623   5.011
  190   1HH2  ARG  28          1HH2      ARG  28 -11.487   8.755   7.512
  191   2HH2  ARG  28          2HH2      ARG  28 -13.076   9.370   7.170
  192    H    ILE  29           H        ILE  29  -6.428   3.357   4.023
  193    HA   ILE  29           HA       ILE  29  -4.487   4.596   5.866
  194    HB   ILE  29           HB       ILE  29  -5.803   1.888   6.191
  195   1HG1  ILE  29          2HG1      ILE  29  -5.722   4.316   7.995
  196   2HG1  ILE  29          1HG1      ILE  29  -7.108   3.790   7.046
  197   1HG2  ILE  29          1HG2      ILE  29  -3.465   3.062   7.689
  198   2HG2  ILE  29          2HG2      ILE  29  -3.470   1.603   6.693
  199   3HG2  ILE  29          3HG2      ILE  29  -4.372   1.639   8.205
  200   1HD1  ILE  29          1HD1      ILE  29  -7.340   3.170   9.380
  201   2HD1  ILE  29          2HD1      ILE  29  -5.828   2.264   9.304
  202   3HD1  ILE  29          3HD1      ILE  29  -7.223   1.735   8.359
  203    H    THR  30           H        THR  30  -2.409   4.116   5.501
  204    HA   THR  30           HA       THR  30  -1.758   2.274   3.327
  205    HB   THR  30           HB       THR  30   0.561   3.412   3.637
  206    HG1  THR  30           HG1      THR  30   0.528   5.362   4.729
  207   1HG2  THR  30          1HG2      THR  30  -0.110   5.312   2.238
  208   2HG2  THR  30          2HG2      THR  30  -1.800   5.021   2.652
  209   3HG2  THR  30          3HG2      THR  30  -0.900   3.827   1.716
  210    H    GLN  31           H        GLN  31  -1.438   0.232   4.103
  211    HA   GLN  31           HA       GLN  31  -0.048  -0.018   6.687
  212   1HB   GLN  31          2HB       GLN  31  -2.044  -1.878   5.410
  213   2HB   GLN  31          1HB       GLN  31  -1.134  -2.261   6.859
  214   1HG   GLN  31          2HG       GLN  31  -2.145  -0.222   7.911
  215   2HG   GLN  31          1HG       GLN  31  -3.193  -0.112   6.498
  216   1HE2  GLN  31          1HE2      GLN  31  -2.387  -1.985   9.340
  217   2HE2  GLN  31          2HE2      GLN  31  -3.850  -2.904   9.380
  218    H    TRP  32           H        TRP  32   1.501  -1.580   6.982
  219    HA   TRP  32           HA       TRP  32   2.841  -2.478   4.545
  220   1HB   TRP  32          2HB       TRP  32   3.799  -2.541   7.420
  221   2HB   TRP  32          1HB       TRP  32   4.765  -2.911   5.998
  222    HD1  TRP  32           HD1      TRP  32   3.631  -0.055   8.140
  223    HE1  TRP  32           HE1      TRP  32   4.578   2.153   7.223
  224    HE3  TRP  32           HE3      TRP  32   5.400  -1.746   3.646
  225    HZ2  TRP  32           HZ2      TRP  32   5.904   3.059   4.898
  226    HZ3  TRP  32           HZ3      TRP  32   6.498  -0.145   2.137
  227    HH2  TRP  32           HH2      TRP  32   6.744   2.208   2.752
  228    H    GLU  33           H        GLU  33   0.469  -3.613   6.322
  229    HA   GLU  33           HA       GLU  33   1.385  -6.404   6.242
  230   1HB   GLU  33          2HB       GLU  33  -0.517  -5.164   8.242
  231   2HB   GLU  33          1HB       GLU  33  -0.073  -6.862   8.163
  232   1HG   GLU  33          2HG       GLU  33   1.818  -4.596   8.731
  233   2HG   GLU  33          1HG       GLU  33   1.091  -5.653   9.939
  234    H    ASP  34           H        ASP  34  -0.028  -7.863   5.389
  235    HA   ASP  34           HA       ASP  34  -2.352  -6.744   4.014
  236   1HB   ASP  34          2HB       ASP  34  -1.054  -7.738   2.389
  237   2HB   ASP  34          1HB       ASP  34  -0.467  -8.994   3.470
  238    HA   PRO  35           HA       PRO  35  -5.380  -8.237   6.897
  239   1HB   PRO  35          2HB       PRO  35  -6.609  -8.876   4.238
  240   2HB   PRO  35          1HB       PRO  35  -7.352  -8.164   5.676
  241   1HG   PRO  35          2HG       PRO  35  -6.527  -6.669   3.594
  242   2HG   PRO  35          1HG       PRO  35  -6.481  -6.091   5.263
  243   1HD   PRO  35          2HD       PRO  35  -4.272  -6.761   3.480
  244   2HD   PRO  35          1HD       PRO  35  -4.236  -5.888   5.018
  245   1H    GLU 101          1H        GLU 101  10.333   1.529  13.084
  246   2H    GLU 101          2H        GLU 101   9.933   1.735  11.452
  247   3H    GLU 101          3H        GLU 101  10.019   3.081  12.477
  248    HA   GLU 101           HA       GLU 101  12.385   2.709  12.785
  249   1HB   GLU 101          2HB       GLU 101  12.163   0.221  12.228
  250   2HB   GLU 101          1HB       GLU 101  12.143   0.710  10.538
  251   1HG   GLU 101          2HG       GLU 101  14.367   0.050  11.156
  252   2HG   GLU 101          1HG       GLU 101  14.331   1.787  10.846
  253    H    GLU 102           H        GLU 102  11.633   1.893   9.415
  254    HA   GLU 102           HA       GLU 102  12.284   4.574   8.552
  255   1HB   GLU 102          2HB       GLU 102  11.088   2.252   7.006
  256   2HB   GLU 102          1HB       GLU 102  11.734   3.729   6.307
  257   1HG   GLU 102          2HG       GLU 102  13.354   1.752   7.893
  258   2HG   GLU 102          1HG       GLU 102  13.243   1.768   6.134
  259    HA   PRO 103           HA       PRO 103   8.150   5.930   9.128
  260   1HB   PRO 103          2HB       PRO 103   7.983   8.037   7.457
  261   2HB   PRO 103          1HB       PRO 103   8.988   8.059   8.908
  262   1HG   PRO 103          2HG       PRO 103   9.782   7.653   6.059
  263   2HG   PRO 103          1HG       PRO 103  10.609   8.559   7.336
  264   1HD   PRO 103          2HD       PRO 103  11.300   6.021   6.531
  265   2HD   PRO 103          1HD       PRO 103  11.665   6.703   8.127
  266    HA   PRO 104           HA       PRO 104   5.549   4.586   5.685
  267   1HB   PRO 104          2HB       PRO 104   3.182   5.194   6.825
  268   2HB   PRO 104          1HB       PRO 104   4.098   3.752   7.278
  269   1HG   PRO 104          2HG       PRO 104   3.860   6.366   8.693
  270   2HG   PRO 104          1HG       PRO 104   3.913   4.727   9.362
  271   1HD   PRO 104          2HD       PRO 104   6.065   6.442   9.286
  272   2HD   PRO 104          1HD       PRO 104   6.191   4.674   9.367
  273    HA   PRO 105           HA       PRO 105   4.608   8.706   4.080
  274   1HB   PRO 105          2HB       PRO 105   3.045   7.455   1.979
  275   2HB   PRO 105          1HB       PRO 105   4.597   8.281   1.845
  276   1HG   PRO 105          2HG       PRO 105   4.283   5.600   1.464
  277   2HG   PRO 105          1HG       PRO 105   5.791   6.345   2.025
  278   1HD   PRO 105          2HD       PRO 105   3.670   4.941   3.598
  279   2HD   PRO 105          1HD       PRO 105   5.438   4.869   3.770
  280    HA   PRO 106           HA       PRO 106   0.462   9.026   5.676
  281   1HB   PRO 106          2HB       PRO 106   0.203  11.671   4.513
  282   2HB   PRO 106          1HB       PRO 106   0.432  11.232   6.207
  283   1HG   PRO 106          2HG       PRO 106   2.324  12.504   4.711
  284   2HG   PRO 106          1HG       PRO 106   2.710  11.455   6.085
  285   1HD   PRO 106          2HD       PRO 106   2.805  10.858   3.151
  286   2HD   PRO 106          1HD       PRO 106   3.936  10.382   4.439
  287    H    TYR 107           H        TYR 107  -1.651   8.858   4.979
  288    HA   TYR 107           HA       TYR 107  -2.039   8.353   2.181
  289   1HB   TYR 107          2HB       TYR 107  -3.179   6.939   3.808
  290   2HB   TYR 107          1HB       TYR 107  -4.023   8.339   4.470
  291    HD1  TYR 107           HD2      TYR 107  -3.715   6.147   1.516
  292    HD2  TYR 107           HD1      TYR 107  -5.965   9.215   3.415
  293    HE1  TYR 107           HE2      TYR 107  -5.513   5.835  -0.132
  294    HE2  TYR 107           HE1      TYR 107  -7.769   8.914   1.781
  295    HH   TYR 107           HH       TYR 107  -7.886   8.036  -0.664
  296    H    GLU 108           H        GLU 108  -2.179  10.005   0.827
  297    HA   GLU 108           HA       GLU 108  -4.138  12.095   1.394
  298   1HB   GLU 108          2HB       GLU 108  -1.325  12.674   0.432
  299   2HB   GLU 108          1HB       GLU 108  -2.608  13.861   0.622
  300   1HG   GLU 108          2HG       GLU 108  -2.647  13.393   3.037
  301   2HG   GLU 108          1HG       GLU 108  -1.308  12.268   2.819
  302    H    ASP 109           H        ASP 109  -5.506  12.169  -0.242
  303    HA   ASP 109           HA       ASP 109  -4.578  11.441  -2.942
  304   1HB   ASP 109          2HB       ASP 109  -7.153  11.069  -1.519
  305   2HB   ASP 109          1HB       ASP 109  -7.279  11.544  -3.206
  Start of MODEL    8
    1    HA   PRO   5           HA       PRO   5   0.326 -10.680  -3.385
    2   1HB   PRO   5          2HB       PRO   5  -0.579 -12.816  -1.712
    3   2HB   PRO   5          1HB       PRO   5   0.140 -12.929  -3.317
    4   1HG   PRO   5          2HG       PRO   5   1.319 -13.831  -0.975
    5   2HG   PRO   5          1HG       PRO   5   2.179 -13.478  -2.485
    6   1HD   PRO   5          2HD       PRO   5   1.921 -11.823  -0.015
    7   2HD   PRO   5          1HD       PRO   5   3.300 -11.998  -1.121
    8    H    LEU   6           H        LEU   6  -0.826  -8.842  -2.813
    9    HA   LEU   6           HA       LEU   6  -2.074  -8.796  -0.194
   10   1HB   LEU   6          2HB       LEU   6  -2.841  -6.516  -0.746
   11   2HB   LEU   6          1HB       LEU   6  -1.108  -6.691  -0.828
   12    HG   LEU   6           HG       LEU   6  -1.884  -5.179  -2.563
   13   1HD1  LEU   6          1HD1      LEU   6   0.039  -6.513  -3.135
   14   2HD1  LEU   6          2HD1      LEU   6  -0.965  -6.251  -4.563
   15   3HD1  LEU   6          3HD1      LEU   6  -0.996  -7.809  -3.734
   16   1HD2  LEU   6          1HD2      LEU   6  -4.163  -5.992  -2.801
   17   2HD2  LEU   6          2HD2      LEU   6  -3.573  -7.448  -3.603
   18   3HD2  LEU   6          3HD2      LEU   6  -3.353  -5.870  -4.361
   19    HA   PRO   7           HA       PRO   7  -6.030 -10.030  -1.832
   20   1HB   PRO   7          2HB       PRO   7  -7.524  -9.596   0.340
   21   2HB   PRO   7          1HB       PRO   7  -6.267 -10.839   0.361
   22   1HG   PRO   7          2HG       PRO   7  -6.282  -8.138   1.599
   23   2HG   PRO   7          1HG       PRO   7  -5.497  -9.623   2.152
   24   1HD   PRO   7          2HD       PRO   7  -4.291  -7.481   0.739
   25   2HD   PRO   7          1HD       PRO   7  -3.562  -9.054   1.105
   26    HA   PRO   8           HA       PRO   8  -6.633  -5.832  -2.786
   27   1HB   PRO   8          2HB       PRO   8  -7.673  -5.995  -5.257
   28   2HB   PRO   8          1HB       PRO   8  -6.015  -6.469  -4.891
   29   1HG   PRO   8          2HG       PRO   8  -8.382  -8.163  -5.452
   30   2HG   PRO   8          1HG       PRO   8  -6.665  -8.489  -5.744
   31   1HD   PRO   8          2HD       PRO   8  -8.243  -9.422  -3.569
   32   2HD   PRO   8          1HD       PRO   8  -6.488  -9.593  -3.776
   33    H    GLY   9           H        GLY   9  -8.572  -5.879  -1.003
   34   1HA   GLY   9          2HA       GLY   9 -10.262  -3.989  -2.453
   35   2HA   GLY   9          1HA       GLY   9 -10.025  -4.065  -0.693
   36    H    TRP  10           H        TRP  10  -7.212  -4.630  -1.318
   37    HA   TRP  10           HA       TRP  10  -6.134  -1.950  -1.126
   38   1HB   TRP  10          2HB       TRP  10  -4.790  -4.661  -0.919
   39   2HB   TRP  10          1HB       TRP  10  -4.108  -3.121  -0.419
   40    HD1  TRP  10           HD1      TRP  10  -7.016  -5.478   0.564
   41    HE1  TRP  10           HE1      TRP  10  -7.391  -5.277   3.101
   42    HE3  TRP  10           HE3      TRP  10  -3.632  -1.789   1.574
   43    HZ2  TRP  10           HZ2      TRP  10  -6.369  -3.749   5.249
   44    HZ3  TRP  10           HZ3      TRP  10  -3.387  -1.028   3.891
   45    HH2  TRP  10           HH2      TRP  10  -4.724  -1.994   5.689
   46    H    GLU  11           H        GLU  11  -4.449  -1.232  -2.526
   47    HA   GLU  11           HA       GLU  11  -3.977  -2.882  -4.896
   48   1HB   GLU  11          2HB       GLU  11  -3.993  -0.930  -6.330
   49   2HB   GLU  11          1HB       GLU  11  -5.538  -1.036  -5.490
   50   1HG   GLU  11          2HG       GLU  11  -5.052   0.746  -4.101
   51   2HG   GLU  11          1HG       GLU  11  -3.315   0.602  -4.403
   52    H    LYS  12           H        LYS  12  -1.874  -2.587  -5.798
   53    HA   LYS  12           HA       LYS  12   0.010  -1.916  -3.720
   54   1HB   LYS  12          2HB       LYS  12   0.150  -4.066  -4.981
   55   2HB   LYS  12          1HB       LYS  12   0.433  -3.156  -6.457
   56   1HG   LYS  12          2HG       LYS  12   2.166  -2.858  -4.074
   57   2HG   LYS  12          1HG       LYS  12   2.442  -4.159  -5.231
   58   1HD   LYS  12          2HD       LYS  12   2.445  -1.193  -5.832
   59   2HD   LYS  12          1HD       LYS  12   3.877  -2.217  -5.689
   60   1HE   LYS  12          2HE       LYS  12   3.005  -3.580  -7.595
   61   2HE   LYS  12          1HE       LYS  12   1.706  -2.401  -7.778
   62   1HZ   LYS  12          1HZ       LYS  12   4.618  -1.860  -8.043
   63   2HZ   LYS  12          2HZ       LYS  12   3.397  -0.690  -8.157
   64   3HZ   LYS  12          3HZ       LYS  12   3.489  -1.924  -9.309
   65    H    ARG  13           H        ARG  13   0.728   0.136  -3.637
   66    HA   ARG  13           HA       ARG  13   1.485   1.398  -6.184
   67   1HB   ARG  13          2HB       ARG  13   0.234   2.772  -3.797
   68   2HB   ARG  13          1HB       ARG  13   0.958   3.620  -5.157
   69   1HG   ARG  13          2HG       ARG  13  -0.679   2.734  -6.664
   70   2HG   ARG  13          1HG       ARG  13  -1.324   1.675  -5.410
   71   1HD   ARG  13          2HD       ARG  13  -2.822   3.508  -5.605
   72   2HD   ARG  13          1HD       ARG  13  -1.925   3.738  -4.113
   73    HE   ARG  13           HE       ARG  13  -0.790   5.132  -6.352
   74   1HH1  ARG  13          1HH1      ARG  13  -3.133   5.250  -3.767
   75   2HH1  ARG  13          2HH1      ARG  13  -3.243   6.989  -3.753
   76   1HH2  ARG  13          1HH2      ARG  13  -0.973   7.420  -6.389
   77   2HH2  ARG  13          2HH2      ARG  13  -2.066   8.210  -5.285
   78    H    THR  14           H        THR  14   3.314   2.679  -6.142
   79    HA   THR  14           HA       THR  14   5.128   2.210  -3.874
   80    HB   THR  14           HB       THR  14   6.629   2.983  -6.162
   81    HG1  THR  14           HG1      THR  14   4.438   1.374  -6.746
   82   1HG2  THR  14          1HG2      THR  14   7.697   0.834  -5.911
   83   2HG2  THR  14          2HG2      THR  14   6.329   0.225  -4.977
   84   3HG2  THR  14          3HG2      THR  14   7.353   1.499  -4.314
   85    H    ASP  15           H        ASP  15   6.406   4.007  -3.200
   86    HA   ASP  15           HA       ASP  15   5.459   6.574  -4.224
   87   1HB   ASP  15          2HB       ASP  15   6.718   7.654  -2.445
   88   2HB   ASP  15          1HB       ASP  15   5.709   6.398  -1.761
   89    H    SER  16           H        SER  16   7.404   8.142  -4.868
   90    HA   SER  16           HA       SER  16   7.171   7.413  -7.367
   91   1HB   SER  16          2HB       SER  16   9.678   8.766  -6.375
   92   2HB   SER  16          1HB       SER  16   8.969   8.913  -7.984
   93    HG   SER  16           HG       SER  16   7.856  10.496  -7.175
   94    H    ASN  17           H        ASN  17  10.313   6.566  -5.741
   95    HA   ASN  17           HA       ASN  17  10.844   4.966  -8.124
   96   1HB   ASN  17          2HB       ASN  17  12.627   6.470  -7.338
   97   2HB   ASN  17          1HB       ASN  17  12.691   5.590  -5.814
   98   1HD2  ASN  17          1HD2      ASN  17  13.701   3.641  -5.721
   99   2HD2  ASN  17          2HD2      ASN  17  14.639   2.981  -7.016
  100    H    GLY  18           H        GLY  18  11.506   4.361  -4.678
  101   1HA   GLY  18          2HA       GLY  18  11.660   1.543  -5.406
  102   2HA   GLY  18          1HA       GLY  18  12.390   2.286  -4.009
  103    H    ARG  19           H        ARG  19   9.807   3.501  -3.094
  104    HA   ARG  19           HA       ARG  19   9.654   1.109  -1.427
  105   1HB   ARG  19          2HB       ARG  19  10.295   3.361  -0.517
  106   2HB   ARG  19          1HB       ARG  19   8.641   3.868  -0.816
  107   1HG   ARG  19          2HG       ARG  19   7.883   2.022   0.684
  108   2HG   ARG  19          1HG       ARG  19   9.577   1.771   1.115
  109   1HD   ARG  19          2HD       ARG  19   8.121   4.394   1.396
  110   2HD   ARG  19          1HD       ARG  19   8.304   3.227   2.699
  111    HE   ARG  19           HE       ARG  19  10.669   3.664   2.677
  112   1HH1  ARG  19          1HH1      ARG  19   8.790   5.778   0.615
  113   2HH1  ARG  19          2HH1      ARG  19   9.939   7.089   0.699
  114   1HH2  ARG  19          1HH2      ARG  19  12.193   5.409   2.798
  115   2HH2  ARG  19          2HH2      ARG  19  11.840   6.887   1.946
  116    H    VAL  20           H        VAL  20   8.050  -0.175  -1.454
  117    HA   VAL  20           HA       VAL  20   5.506   0.633  -2.646
  118    HB   VAL  20           HB       VAL  20   6.536  -1.329  -3.650
  119   1HG1  VAL  20          1HG1      VAL  20   7.862  -2.125  -1.800
  120   2HG1  VAL  20          2HG1      VAL  20   6.810  -3.417  -2.379
  121   3HG1  VAL  20          3HG1      VAL  20   6.406  -2.549  -0.899
  122   1HG2  VAL  20          1HG2      VAL  20   4.098  -2.042  -2.022
  123   2HG2  VAL  20          2HG2      VAL  20   4.684  -2.931  -3.428
  124   3HG2  VAL  20          3HG2      VAL  20   4.114  -1.272  -3.608
  125    H    TYR  21           H        TYR  21   3.576   0.375  -1.615
  126    HA   TYR  21           HA       TYR  21   3.479  -0.776   1.025
  127   1HB   TYR  21          2HB       TYR  21   2.346   1.245   1.969
  128   2HB   TYR  21          1HB       TYR  21   4.048   1.490   1.601
  129    HD1  TYR  21           HD2      TYR  21   0.600   2.325   0.602
  130    HD2  TYR  21           HD1      TYR  21   4.737   3.041  -0.128
  131    HE1  TYR  21           HE2      TYR  21   0.023   4.291  -0.755
  132    HE2  TYR  21           HE1      TYR  21   4.162   5.008  -1.485
  133    HH   TYR  21           HH       TYR  21   1.076   6.396  -1.488
  134    H    PHE  22           H        PHE  22   1.350  -1.315   1.692
  135    HA   PHE  22           HA       PHE  22  -0.416  -1.685  -0.593
  136   1HB   PHE  22          2HB       PHE  22  -0.546  -2.788   2.225
  137   2HB   PHE  22          1HB       PHE  22  -1.683  -3.182   0.941
  138    HD1  PHE  22           HD1      PHE  22   1.015  -2.971  -0.970
  139    HD2  PHE  22           HD2      PHE  22  -0.345  -5.347   2.291
  140    HE1  PHE  22           HE1      PHE  22   2.471  -4.810  -1.707
  141    HE2  PHE  22           HE2      PHE  22   1.116  -7.187   1.558
  142    HZ   PHE  22           HZ       PHE  22   2.523  -6.920  -0.442
  143    H    VAL  23           H        VAL  23  -1.928  -0.273  -0.993
  144    HA   VAL  23           HA       VAL  23  -2.840   1.471   1.182
  145    HB   VAL  23           HB       VAL  23  -1.577   2.764  -0.325
  146   1HG1  VAL  23          1HG1      VAL  23  -1.780   2.761  -2.698
  147   2HG1  VAL  23          2HG1      VAL  23  -3.177   1.690  -2.642
  148   3HG1  VAL  23          3HG1      VAL  23  -1.583   1.091  -2.171
  149   1HG2  VAL  23          1HG2      VAL  23  -3.606   3.869   0.338
  150   2HG2  VAL  23          2HG2      VAL  23  -4.499   3.118  -0.985
  151   3HG2  VAL  23          3HG2      VAL  23  -3.233   4.297  -1.332
  152    H    ASN  24           H        ASN  24  -4.922   1.540   1.649
  153    HA   ASN  24           HA       ASN  24  -6.822   0.288  -0.225
  154   1HB   ASN  24          2HB       ASN  24  -6.392  -1.007   1.870
  155   2HB   ASN  24          1HB       ASN  24  -6.976   0.368   2.796
  156   1HD2  ASN  24          1HD2      ASN  24  -7.927  -2.410   2.578
  157   2HD2  ASN  24          2HD2      ASN  24  -9.595  -2.288   2.138
  158    H    HIS  25           H        HIS  25  -8.233   1.710  -1.062
  159    HA   HIS  25           HA       HIS  25  -8.342   4.396   0.007
  160   1HB   HIS  25          2HB       HIS  25  -9.825   3.164  -2.324
  161   2HB   HIS  25          1HB       HIS  25  -9.809   4.876  -1.919
  162    HD1  HIS  25           HD1      HIS  25  -7.814   6.245  -2.731
  163    HD2  HIS  25           HD2      HIS  25  -7.362   2.163  -3.328
  164    HE1  HIS  25           HE1      HIS  25  -5.815   6.000  -4.230
  165    HE2  HIS  25           HE2      HIS  25  -5.739   3.537  -4.785
  166    H    ASN  26           H        ASN  26 -10.261   1.544   0.199
  167    HA   ASN  26           HA       ASN  26 -12.779   2.690   0.727
  168   1HB   ASN  26          2HB       ASN  26 -12.595   0.346   0.165
  169   2HB   ASN  26          1HB       ASN  26 -11.579   0.044   1.568
  170   1HD2  ASN  26          1HD2      ASN  26 -14.816   0.623   0.439
  171   2HD2  ASN  26          2HD2      ASN  26 -15.612   0.167   1.908
  172    H    THR  27           H        THR  27 -10.212   1.582   2.920
  173    HA   THR  27           HA       THR  27 -11.552   2.821   5.172
  174    HB   THR  27           HB       THR  27 -10.566   0.685   5.580
  175    HG1  THR  27           HG1      THR  27  -9.754   2.946   6.913
  176   1HG2  THR  27          1HG2      THR  27  -7.907   1.926   4.853
  177   2HG2  THR  27          2HG2      THR  27  -8.777   0.724   3.901
  178   3HG2  THR  27          3HG2      THR  27  -8.147   0.297   5.491
  179    H    ARG  28           H        ARG  28  -9.166   3.608   2.869
  180    HA   ARG  28           HA       ARG  28  -7.798   5.370   2.521
  181   1HB   ARG  28          2HB       ARG  28  -9.304   6.644   4.813
  182   2HB   ARG  28          1HB       ARG  28  -8.160   7.482   3.779
  183   1HG   ARG  28          2HG       ARG  28  -9.679   6.787   1.841
  184   2HG   ARG  28          1HG       ARG  28 -10.869   6.400   3.084
  185   1HD   ARG  28          2HD       ARG  28 -11.365   8.596   2.444
  186   2HD   ARG  28          1HD       ARG  28 -10.478   8.762   3.958
  187    HE   ARG  28           HE       ARG  28  -9.245   9.152   1.303
  188   1HH1  ARG  28          1HH1      ARG  28  -9.668  10.110   4.652
  189   2HH1  ARG  28          2HH1      ARG  28  -8.553  11.435   4.522
  190   1HH2  ARG  28          1HH2      ARG  28  -7.803  10.890   1.162
  191   2HH2  ARG  28          2HH2      ARG  28  -7.481  11.860   2.572
  192    H    ILE  29           H        ILE  29  -6.825   3.260   4.000
  193    HA   ILE  29           HA       ILE  29  -4.928   4.630   5.793
  194    HB   ILE  29           HB       ILE  29  -6.107   1.872   6.170
  195   1HG1  ILE  29          2HG1      ILE  29  -7.567   3.700   6.919
  196   2HG1  ILE  29          1HG1      ILE  29  -6.966   2.766   8.282
  197   1HG2  ILE  29          1HG2      ILE  29  -3.900   3.248   7.694
  198   2HG2  ILE  29          2HG2      ILE  29  -3.780   1.755   6.754
  199   3HG2  ILE  29          3HG2      ILE  29  -4.733   1.797   8.240
  200   1HD1  ILE  29          1HD1      ILE  29  -5.923   5.445   7.381
  201   2HD1  ILE  29          2HD1      ILE  29  -5.326   4.509   8.753
  202   3HD1  ILE  29          3HD1      ILE  29  -6.972   5.142   8.767
  203    H    THR  30           H        THR  30  -2.852   4.360   5.268
  204    HA   THR  30           HA       THR  30  -2.134   2.372   3.252
  205    HB   THR  30           HB       THR  30   0.147   3.635   3.517
  206    HG1  THR  30           HG1      THR  30   0.080   5.349   4.766
  207   1HG2  THR  30          1HG2      THR  30  -2.257   4.973   2.281
  208   2HG2  THR  30          2HG2      THR  30  -1.256   3.739   1.514
  209   3HG2  THR  30          3HG2      THR  30  -0.574   5.322   1.894
  210    H    GLN  31           H        GLN  31  -1.401   0.447   3.935
  211    HA   GLN  31           HA       GLN  31   0.054   0.362   6.493
  212   1HB   GLN  31          2HB       GLN  31  -1.941  -1.670   5.484
  213   2HB   GLN  31          1HB       GLN  31  -0.954  -1.850   6.925
  214   1HG   GLN  31          2HG       GLN  31  -2.026   0.141   7.885
  215   2HG   GLN  31          1HG       GLN  31  -3.065   0.236   6.463
  216   1HE2  GLN  31          1HE2      GLN  31  -4.924  -0.022   7.673
  217   2HE2  GLN  31          2HE2      GLN  31  -5.377  -1.534   8.383
  218    H    TRP  32           H        TRP  32   1.751  -1.077   6.665
  219    HA   TRP  32           HA       TRP  32   3.023  -1.838   4.198
  220   1HB   TRP  32          2HB       TRP  32   3.793  -2.346   7.083
  221   2HB   TRP  32          1HB       TRP  32   4.792  -2.774   5.702
  222    HD1  TRP  32           HD1      TRP  32   3.431   0.332   7.527
  223    HE1  TRP  32           HE1      TRP  32   5.032   2.288   7.062
  224    HE3  TRP  32           HE3      TRP  32   6.521  -1.935   4.143
  225    HZ2  TRP  32           HZ2      TRP  32   7.300   2.813   5.464
  226    HZ3  TRP  32           HZ3      TRP  32   8.386  -0.630   3.191
  227    HH2  TRP  32           HH2      TRP  32   8.764   1.693   3.846
  228    H    GLU  33           H        GLU  33   1.222  -3.426   6.732
  229    HA   GLU  33           HA       GLU  33   2.126  -6.058   5.868
  230   1HB   GLU  33          2HB       GLU  33   2.127  -5.320   8.286
  231   2HB   GLU  33          1HB       GLU  33   0.373  -5.359   8.220
  232   1HG   GLU  33          2HG       GLU  33   0.326  -7.691   7.940
  233   2HG   GLU  33          1HG       GLU  33   2.048  -7.755   7.557
  234    H    ASP  34           H        ASP  34   0.860  -7.558   4.970
  235    HA   ASP  34           HA       ASP  34  -1.726  -6.709   3.960
  236   1HB   ASP  34          2HB       ASP  34  -1.528  -8.956   2.706
  237   2HB   ASP  34          1HB       ASP  34  -0.408  -7.668   2.274
  238    HA   PRO  35           HA       PRO  35  -3.759  -8.887   7.316
  239   1HB   PRO  35          2HB       PRO  35  -6.296  -8.323   6.291
  240   2HB   PRO  35          1HB       PRO  35  -5.418  -7.369   7.485
  241   1HG   PRO  35          2HG       PRO  35  -5.849  -6.849   4.623
  242   2HG   PRO  35          1HG       PRO  35  -5.464  -5.727   5.929
  243   1HD   PRO  35          2HD       PRO  35  -3.707  -6.580   3.969
  244   2HD   PRO  35          1HD       PRO  35  -3.246  -5.852   5.517
  245   1H    GLU 101          1H        GLU 101  13.033   0.081   8.274
  246   2H    GLU 101          2H        GLU 101  12.010   0.609   9.518
  247   3H    GLU 101          3H        GLU 101  13.276  -0.464   9.861
  248    HA   GLU 101           HA       GLU 101  13.861   1.711  10.596
  249   1HB   GLU 101          2HB       GLU 101  15.975   1.970   9.367
  250   2HB   GLU 101          1HB       GLU 101  15.650   0.293   9.770
  251   1HG   GLU 101          2HG       GLU 101  14.733   0.060   7.420
  252   2HG   GLU 101          1HG       GLU 101  15.457   1.636   7.099
  253    H    GLU 102           H        GLU 102  12.438   1.623   7.438
  254    HA   GLU 102           HA       GLU 102  12.745   4.495   7.044
  255   1HB   GLU 102          2HB       GLU 102  11.195   2.394   5.509
  256   2HB   GLU 102          1HB       GLU 102  11.315   4.080   5.036
  257   1HG   GLU 102          2HG       GLU 102  13.669   2.229   5.304
  258   2HG   GLU 102          1HG       GLU 102  12.819   2.556   3.794
  259    HA   PRO 103           HA       PRO 103   8.773   5.380   8.956
  260   1HB   PRO 103          2HB       PRO 103   8.615   7.850   7.449
  261   2HB   PRO 103          1HB       PRO 103   8.962   7.629   9.165
  262   1HG   PRO 103          2HG       PRO 103  10.796   8.525   7.348
  263   2HG   PRO 103          1HG       PRO 103  11.225   7.671   8.840
  264   1HD   PRO 103          2HD       PRO 103  11.047   6.625   6.039
  265   2HD   PRO 103          1HD       PRO 103  12.243   6.268   7.304
  266    HA   PRO 104           HA       PRO 104   5.862   4.427   5.664
  267   1HB   PRO 104          2HB       PRO 104   3.563   4.757   7.025
  268   2HB   PRO 104          1HB       PRO 104   4.627   3.377   7.312
  269   1HG   PRO 104          2HG       PRO 104   4.317   5.893   8.897
  270   2HG   PRO 104          1HG       PRO 104   4.522   4.225   9.464
  271   1HD   PRO 104          2HD       PRO 104   6.549   6.072   9.346
  272   2HD   PRO 104          1HD       PRO 104   6.798   4.317   9.278
  273    HA   PRO 105           HA       PRO 105   4.528   8.480   4.290
  274   1HB   PRO 105          2HB       PRO 105   2.927   7.232   2.242
  275   2HB   PRO 105          1HB       PRO 105   4.457   8.085   2.068
  276   1HG   PRO 105          2HG       PRO 105   4.146   5.386   1.669
  277   2HG   PRO 105          1HG       PRO 105   5.677   6.156   2.114
  278   1HD   PRO 105          2HD       PRO 105   3.714   4.694   3.833
  279   2HD   PRO 105          1HD       PRO 105   5.491   4.680   3.884
  280    HA   PRO 106           HA       PRO 106   0.398   8.717   5.979
  281   1HB   PRO 106          2HB       PRO 106   0.119  11.369   4.871
  282   2HB   PRO 106          1HB       PRO 106   0.385  10.904   6.551
  283   1HG   PRO 106          2HG       PRO 106   2.237  12.216   5.021
  284   2HG   PRO 106          1HG       PRO 106   2.654  11.180   6.396
  285   1HD   PRO 106          2HD       PRO 106   2.726  10.576   3.467
  286   2HD   PRO 106          1HD       PRO 106   3.874  10.113   4.744
  287    H    TYR 107           H        TYR 107  -1.733   8.546   5.243
  288    HA   TYR 107           HA       TYR 107  -2.061   8.151   2.412
  289   1HB   TYR 107          2HB       TYR 107  -3.279   6.734   4.073
  290   2HB   TYR 107          1HB       TYR 107  -4.206   8.153   4.552
  291    HD1  TYR 107           HD2      TYR 107  -5.631   9.303   2.780
  292    HD2  TYR 107           HD1      TYR 107  -3.974   5.424   2.243
  293    HE1  TYR 107           HE2      TYR 107  -7.250   8.867   0.988
  294    HE2  TYR 107           HE1      TYR 107  -5.591   4.981   0.442
  295    HH   TYR 107           HH       TYR 107  -7.285   7.337  -1.088
  296    H    GLU 108           H        GLU 108  -2.262   9.795   1.087
  297    HA   GLU 108           HA       GLU 108  -3.834  12.132   1.947
  298   1HB   GLU 108          2HB       GLU 108  -1.401  12.535   1.445
  299   2HB   GLU 108          1HB       GLU 108  -1.712  12.035  -0.210
  300   1HG   GLU 108          2HG       GLU 108  -1.732  14.384  -0.226
  301   2HG   GLU 108          1HG       GLU 108  -3.420  13.886  -0.329
  302    H    ASP 109           H        ASP 109  -2.925  10.171  -0.872
  303    HA   ASP 109           HA       ASP 109  -5.683  10.301  -1.838
  304   1HB   ASP 109          2HB       ASP 109  -4.647  11.923  -3.217
  305   2HB   ASP 109          1HB       ASP 109  -3.192  10.949  -3.413
  Start of MODEL    9
    1    HA   PRO   5           HA       PRO   5  -1.142 -11.655  -3.353
    2   1HB   PRO   5          2HB       PRO   5   0.598 -11.473  -1.331
    3   2HB   PRO   5          1HB       PRO   5   1.114 -12.007  -2.937
    4   1HG   PRO   5          2HG       PRO   5   1.401  -9.317  -1.653
    5   2HG   PRO   5          1HG       PRO   5   2.581 -10.235  -2.605
    6   1HD   PRO   5          2HD       PRO   5   1.023  -8.198  -3.611
    7   2HD   PRO   5          1HD       PRO   5   1.718  -9.505  -4.592
    8    H    LEU   6           H        LEU   6  -2.715  -9.367  -3.251
    9    HA   LEU   6           HA       LEU   6  -3.267  -9.211  -0.395
   10   1HB   LEU   6          2HB       LEU   6  -3.935  -6.772  -0.676
   11   2HB   LEU   6          1HB       LEU   6  -2.232  -7.134  -0.595
   12    HG   LEU   6           HG       LEU   6  -2.885  -5.310  -2.193
   13   1HD1  LEU   6          1HD1      LEU   6  -1.468  -7.686  -3.381
   14   2HD1  LEU   6          2HD1      LEU   6  -0.743  -6.430  -2.381
   15   3HD1  LEU   6          3HD1      LEU   6  -1.387  -6.025  -3.973
   16   1HD2  LEU   6          1HD2      LEU   6  -3.987  -7.579  -3.837
   17   2HD2  LEU   6          2HD2      LEU   6  -3.755  -5.916  -4.376
   18   3HD2  LEU   6          3HD2      LEU   6  -4.920  -6.276  -3.101
   19    HA   PRO   7           HA       PRO   7  -7.512  -9.515  -1.801
   20   1HB   PRO   7          2HB       PRO   7  -8.716  -9.185   0.593
   21   2HB   PRO   7          1HB       PRO   7  -7.840 -10.668   0.205
   22   1HG   PRO   7          2HG       PRO   7  -7.087  -8.460   2.026
   23   2HG   PRO   7          1HG       PRO   7  -6.563 -10.153   2.023
   24   1HD   PRO   7          2HD       PRO   7  -5.168  -7.880   0.995
   25   2HD   PRO   7          1HD       PRO   7  -4.653  -9.573   0.954
   26    HA   PRO   8           HA       PRO   8  -7.020  -5.287  -2.129
   27   1HB   PRO   8          2HB       PRO   8  -8.440  -4.930  -4.496
   28   2HB   PRO   8          1HB       PRO   8  -6.783  -5.515  -4.346
   29   1HG   PRO   8          2HG       PRO   8  -9.073  -6.972  -5.215
   30   2HG   PRO   8          1HG       PRO   8  -7.428  -7.583  -4.981
   31   1HD   PRO   8          2HD       PRO   8  -9.790  -7.804  -3.216
   32   2HD   PRO   8          1HD       PRO   8  -8.345  -8.833  -3.303
   33    H    GLY   9           H        GLY   9  -8.641  -4.869  -0.200
   34   1HA   GLY   9          2HA       GLY   9  -9.912  -2.454  -1.253
   35   2HA   GLY   9          1HA       GLY   9  -9.473  -2.772   0.436
   36    H    TRP  10           H        TRP  10  -7.033  -3.953  -0.597
   37    HA   TRP  10           HA       TRP  10  -5.190  -1.769  -0.399
   38   1HB   TRP  10          2HB       TRP  10  -4.779  -4.746  -0.850
   39   2HB   TRP  10          1HB       TRP  10  -3.584  -3.606  -0.246
   40    HD1  TRP  10           HD1      TRP  10  -5.998  -6.103   0.890
   41    HE1  TRP  10           HE1      TRP  10  -6.396  -5.934   3.424
   42    HE3  TRP  10           HE3      TRP  10  -3.822  -1.601   1.713
   43    HZ2  TRP  10           HZ2      TRP  10  -5.858  -4.112   5.504
   44    HZ3  TRP  10           HZ3      TRP  10  -3.829  -0.704   3.964
   45    HH2  TRP  10           HH2      TRP  10  -4.806  -1.929   5.845
   46    H    GLU  11           H        GLU  11  -3.497  -1.449  -2.054
   47    HA   GLU  11           HA       GLU  11  -3.811  -2.771  -4.551
   48   1HB   GLU  11          2HB       GLU  11  -4.118  -0.680  -5.861
   49   2HB   GLU  11          1HB       GLU  11  -5.527  -1.096  -4.892
   50   1HG   GLU  11          2HG       GLU  11  -4.739   0.478  -3.183
   51   2HG   GLU  11          1HG       GLU  11  -3.473   0.997  -4.296
   52    H    LYS  12           H        LYS  12  -1.873  -2.457  -5.750
   53    HA   LYS  12           HA       LYS  12   0.138  -1.995  -3.747
   54   1HB   LYS  12          2HB       LYS  12  -0.012  -4.140  -4.975
   55   2HB   LYS  12          1HB       LYS  12   0.318  -3.284  -6.479
   56   1HG   LYS  12          2HG       LYS  12   2.116  -3.075  -4.160
   57   2HG   LYS  12          1HG       LYS  12   2.238  -4.469  -5.243
   58   1HD   LYS  12          2HD       LYS  12   2.476  -1.563  -6.058
   59   2HD   LYS  12          1HD       LYS  12   3.842  -2.668  -5.825
   60   1HE   LYS  12          2HE       LYS  12   2.714  -4.149  -7.584
   61   2HE   LYS  12          1HE       LYS  12   1.708  -2.749  -7.945
   62   1HZ   LYS  12          1HZ       LYS  12   3.574  -2.798  -9.436
   63   2HZ   LYS  12          2HZ       LYS  12   4.662  -2.898  -8.148
   64   3HZ   LYS  12          3HZ       LYS  12   3.769  -1.487  -8.376
   65    H    ARG  13           H        ARG  13   0.686   0.111  -3.656
   66    HA   ARG  13           HA       ARG  13   1.528   1.353  -6.189
   67   1HB   ARG  13          2HB       ARG  13   0.314   2.738  -3.794
   68   2HB   ARG  13          1HB       ARG  13   1.010   3.563  -5.175
   69   1HG   ARG  13          2HG       ARG  13  -0.689   2.459  -6.619
   70   2HG   ARG  13          1HG       ARG  13  -1.438   1.808  -5.159
   71   1HD   ARG  13          2HD       ARG  13  -1.640   4.184  -4.338
   72   2HD   ARG  13          1HD       ARG  13  -1.131   4.702  -5.947
   73    HE   ARG  13           HE       ARG  13  -3.393   2.890  -5.903
   74   1HH1  ARG  13          1HH1      ARG  13  -2.406   6.270  -5.813
   75   2HH1  ARG  13          2HH1      ARG  13  -3.919   6.840  -6.437
   76   1HH2  ARG  13          1HH2      ARG  13  -5.363   3.634  -6.663
   77   2HH2  ARG  13          2HH2      ARG  13  -5.618   5.339  -6.931
   78    H    THR  14           H        THR  14   3.474   2.251  -6.264
   79    HA   THR  14           HA       THR  14   5.234   2.085  -3.957
   80    HB   THR  14           HB       THR  14   6.593   3.347  -6.069
   81    HG1  THR  14           HG1      THR  14   5.831   2.536  -7.896
   82   1HG2  THR  14          1HG2      THR  14   7.502   1.613  -4.568
   83   2HG2  THR  14          2HG2      THR  14   7.837   1.278  -6.266
   84   3HG2  THR  14          3HG2      THR  14   6.555   0.397  -5.430
   85    H    ASP  15           H        ASP  15   6.178   3.954  -2.990
   86    HA   ASP  15           HA       ASP  15   4.994   6.484  -3.841
   87   1HB   ASP  15          2HB       ASP  15   6.111   7.551  -1.968
   88   2HB   ASP  15          1HB       ASP  15   5.248   6.138  -1.387
   89    H    SER  16           H        SER  16   6.686   8.273  -4.326
   90    HA   SER  16           HA       SER  16   6.745   7.725  -6.868
   91   1HB   SER  16          2HB       SER  16   8.633   9.414  -7.147
   92   2HB   SER  16          1HB       SER  16   7.216   9.926  -6.233
   93    HG   SER  16           HG       SER  16   8.345   9.753  -4.364
   94    H    ASN  17           H        ASN  17   9.808   7.031  -5.028
   95    HA   ASN  17           HA       ASN  17  10.825   5.958  -7.546
   96   1HB   ASN  17          2HB       ASN  17  12.285   7.460  -6.270
   97   2HB   ASN  17          1HB       ASN  17  12.270   6.324  -4.924
   98   1HD2  ASN  17          1HD2      ASN  17  14.490   6.066  -5.005
   99   2HD2  ASN  17          2HD2      ASN  17  15.271   5.158  -6.258
  100    H    GLY  18           H        GLY  18  11.249   4.771  -4.228
  101   1HA   GLY  18          2HA       GLY  18  11.742   2.162  -5.416
  102   2HA   GLY  18          1HA       GLY  18  12.238   2.684  -3.827
  103    H    ARG  19           H        ARG  19   9.641   3.442  -2.849
  104    HA   ARG  19           HA       ARG  19   9.494   0.715  -1.823
  105   1HB   ARG  19          2HB       ARG  19  10.132   2.323  -0.241
  106   2HB   ARG  19          1HB       ARG  19   8.846   3.418  -0.707
  107   1HG   ARG  19          2HG       ARG  19   7.211   1.778   0.202
  108   2HG   ARG  19          1HG       ARG  19   8.581   0.853   0.829
  109   1HD   ARG  19          2HD       ARG  19   7.431   2.573   2.375
  110   2HD   ARG  19          1HD       ARG  19   9.198   2.531   2.315
  111    HE   ARG  19           HE       ARG  19   7.963   4.378   0.448
  112   1HH1  ARG  19          1HH1      ARG  19   9.363   3.944   3.632
  113   2HH1  ARG  19          2HH1      ARG  19   9.645   5.640   3.883
  114   1HH2  ARG  19          1HH2      ARG  19   8.392   6.599   0.739
  115   2HH2  ARG  19          2HH2      ARG  19   9.104   7.147   2.233
  116    H    VAL  20           H        VAL  20   7.818  -0.560  -1.949
  117    HA   VAL  20           HA       VAL  20   5.241   0.526  -2.775
  118    HB   VAL  20           HB       VAL  20   5.910  -1.426  -4.034
  119   1HG1  VAL  20          1HG1      VAL  20   6.055  -2.846  -1.380
  120   2HG1  VAL  20          2HG1      VAL  20   7.410  -2.462  -2.441
  121   3HG1  VAL  20          3HG1      VAL  20   6.184  -3.619  -2.962
  122   1HG2  VAL  20          1HG2      VAL  20   3.954  -2.870  -3.649
  123   2HG2  VAL  20          2HG2      VAL  20   3.516  -1.163  -3.587
  124   3HG2  VAL  20          3HG2      VAL  20   3.681  -2.086  -2.095
  125    H    TYR  21           H        TYR  21   3.451   0.363  -1.612
  126    HA   TYR  21           HA       TYR  21   3.402  -1.014   0.910
  127   1HB   TYR  21          2HB       TYR  21   2.450   0.993   2.073
  128   2HB   TYR  21          1HB       TYR  21   4.153   1.139   1.658
  129    HD1  TYR  21           HD2      TYR  21   0.731   2.227   0.719
  130    HD2  TYR  21           HD1      TYR  21   4.914   2.838   0.198
  131    HE1  TYR  21           HE2      TYR  21   0.275   4.338  -0.463
  132    HE2  TYR  21           HE1      TYR  21   4.469   4.940  -0.973
  133    HH   TYR  21           HH       TYR  21   2.697   6.024  -2.203
  134    H    PHE  22           H        PHE  22   1.222  -1.393   1.666
  135    HA   PHE  22           HA       PHE  22  -0.485  -1.708  -0.676
  136   1HB   PHE  22          2HB       PHE  22  -0.629  -2.897   2.110
  137   2HB   PHE  22          1HB       PHE  22  -1.865  -3.148   0.883
  138    HD1  PHE  22           HD2      PHE  22   1.553  -2.953  -0.288
  139    HD2  PHE  22           HD1      PHE  22  -1.455  -5.601   1.178
  140    HE1  PHE  22           HE2      PHE  22   2.811  -4.869  -1.171
  141    HE2  PHE  22           HE1      PHE  22  -0.191  -7.515   0.286
  142    HZ   PHE  22           HZ       PHE  22   1.944  -7.151  -0.882
  143    H    VAL  23           H        VAL  23  -1.444   0.136  -1.044
  144    HA   VAL  23           HA       VAL  23  -2.449   1.744   1.148
  145    HB   VAL  23           HB       VAL  23  -1.267   3.037  -0.412
  146   1HG1  VAL  23          1HG1      VAL  23  -1.102   1.476  -2.242
  147   2HG1  VAL  23          2HG1      VAL  23  -1.724   3.015  -2.847
  148   3HG1  VAL  23          3HG1      VAL  23  -2.821   1.662  -2.594
  149   1HG2  VAL  23          1HG2      VAL  23  -4.162   3.360  -1.173
  150   2HG2  VAL  23          2HG2      VAL  23  -2.891   4.569  -1.356
  151   3HG2  VAL  23          3HG2      VAL  23  -3.395   4.048   0.253
  152    H    ASN  24           H        ASN  24  -4.421   1.487   1.855
  153    HA   ASN  24           HA       ASN  24  -6.393   0.140   0.168
  154   1HB   ASN  24          2HB       ASN  24  -5.899  -0.644   2.520
  155   2HB   ASN  24          1HB       ASN  24  -6.600   0.860   3.099
  156   1HD2  ASN  24          1HD2      ASN  24  -7.364  -1.964   3.455
  157   2HD2  ASN  24          2HD2      ASN  24  -9.019  -2.059   2.975
  158    H    HIS  25           H        HIS  25  -7.488   1.496  -1.082
  159    HA   HIS  25           HA       HIS  25  -7.939   4.224  -0.335
  160   1HB   HIS  25          2HB       HIS  25  -8.453   2.566  -2.730
  161   2HB   HIS  25          1HB       HIS  25  -9.527   3.942  -2.493
  162    HD1  HIS  25           HD1      HIS  25  -8.725   5.875  -3.780
  163    HD2  HIS  25           HD2      HIS  25  -5.565   3.653  -2.255
  164    HE1  HIS  25           HE1      HIS  25  -6.650   7.097  -4.479
  165    HE2  HIS  25           HE2      HIS  25  -4.789   5.923  -3.255
  166    H    ASN  26           H        ASN  26  -9.651   1.293   0.112
  167    HA   ASN  26           HA       ASN  26 -12.255   2.416   0.442
  168   1HB   ASN  26          2HB       ASN  26 -11.947   0.018  -0.010
  169   2HB   ASN  26          1HB       ASN  26 -11.076  -0.166   1.511
  170   1HD2  ASN  26          1HD2      ASN  26 -12.490  -1.643   2.369
  171   2HD2  ASN  26          2HD2      ASN  26 -14.092  -1.227   2.861
  172    H    THR  27           H        THR  27  -9.687   1.441   2.725
  173    HA   THR  27           HA       THR  27 -11.158   2.627   4.939
  174    HB   THR  27           HB       THR  27  -9.402   1.817   6.361
  175    HG1  THR  27           HG1      THR  27  -7.581   0.801   5.508
  176   1HG2  THR  27          1HG2      THR  27 -11.149   0.230   5.765
  177   2HG2  THR  27          2HG2      THR  27  -9.604  -0.603   5.933
  178   3HG2  THR  27          3HG2      THR  27 -10.243  -0.248   4.328
  179    H    ARG  28           H        ARG  28  -8.694   3.479   2.729
  180    HA   ARG  28           HA       ARG  28  -7.563   5.408   2.331
  181   1HB   ARG  28          2HB       ARG  28  -9.027   6.519   4.734
  182   2HB   ARG  28          1HB       ARG  28  -8.097   7.457   3.571
  183   1HG   ARG  28          2HG       ARG  28  -9.676   7.125   1.878
  184   2HG   ARG  28          1HG       ARG  28 -10.451   5.790   2.739
  185   1HD   ARG  28          2HD       ARG  28 -10.479   8.708   3.491
  186   2HD   ARG  28          1HD       ARG  28 -11.846   7.737   2.938
  187    HE   ARG  28           HE       ARG  28 -11.069   6.397   5.122
  188   1HH1  ARG  28          1HH1      ARG  28 -11.719   9.794   4.599
  189   2HH1  ARG  28          2HH1      ARG  28 -12.142  10.104   6.255
  190   1HH2  ARG  28          1HH2      ARG  28 -11.639   6.804   7.306
  191   2HH2  ARG  28          2HH2      ARG  28 -12.078   8.413   7.782
  192    H    ILE  29           H        ILE  29  -6.577   3.265   3.984
  193    HA   ILE  29           HA       ILE  29  -4.678   4.772   5.659
  194    HB   ILE  29           HB       ILE  29  -5.817   2.017   6.170
  195   1HG1  ILE  29          2HG1      ILE  29  -5.974   4.578   7.776
  196   2HG1  ILE  29          1HG1      ILE  29  -7.277   3.900   6.803
  197   1HG2  ILE  29          1HG2      ILE  29  -3.499   1.935   6.751
  198   2HG2  ILE  29          2HG2      ILE  29  -4.434   2.072   8.243
  199   3HG2  ILE  29          3HG2      ILE  29  -3.606   3.486   7.592
  200   1HD1  ILE  29          1HD1      ILE  29  -7.612   3.421   9.155
  201   2HD1  ILE  29          2HD1      ILE  29  -6.039   2.626   9.232
  202   3HD1  ILE  29          3HD1      ILE  29  -7.331   1.934   8.251
  203    H    THR  30           H        THR  30  -2.579   4.439   5.307
  204    HA   THR  30           HA       THR  30  -1.769   2.610   3.191
  205    HB   THR  30           HB       THR  30   0.489   3.845   3.706
  206    HG1  THR  30           HG1      THR  30   0.226   5.788   4.765
  207   1HG2  THR  30          1HG2      THR  30  -0.157   5.670   2.219
  208   2HG2  THR  30          2HG2      THR  30  -1.862   5.320   2.506
  209   3HG2  THR  30          3HG2      THR  30  -0.850   4.145   1.664
  210    H    GLN  31           H        GLN  31  -1.353   0.579   3.850
  211    HA   GLN  31           HA       GLN  31   0.174   0.232   6.343
  212   1HB   GLN  31          2HB       GLN  31  -2.100  -1.490   5.340
  213   2HB   GLN  31          1HB       GLN  31  -1.048  -1.915   6.676
  214   1HG   GLN  31          2HG       GLN  31  -1.789   0.171   7.823
  215   2HG   GLN  31          1HG       GLN  31  -2.977   0.374   6.539
  216   1HE2  GLN  31          1HE2      GLN  31  -4.704   0.189   7.948
  217   2HE2  GLN  31          2HE2      GLN  31  -5.168  -1.315   8.657
  218    H    TRP  32           H        TRP  32   1.634  -1.476   6.421
  219    HA   TRP  32           HA       TRP  32   2.665  -2.353   3.841
  220   1HB   TRP  32          2HB       TRP  32   3.635  -3.013   6.642
  221   2HB   TRP  32          1HB       TRP  32   4.501  -3.318   5.144
  222    HD1  TRP  32           HD1      TRP  32   3.215  -0.274   7.176
  223    HE1  TRP  32           HE1      TRP  32   4.896   1.647   6.845
  224    HE3  TRP  32           HE3      TRP  32   6.390  -2.531   3.851
  225    HZ2  TRP  32           HZ2      TRP  32   7.261   2.132   5.382
  226    HZ3  TRP  32           HZ3      TRP  32   8.339  -1.271   3.040
  227    HH2  TRP  32           HH2      TRP  32   8.766   1.014   3.789
  228    H    GLU  33           H        GLU  33   0.256  -3.286   5.791
  229    HA   GLU  33           HA       GLU  33   0.891  -6.105   6.093
  230   1HB   GLU  33          2HB       GLU  33  -0.096  -4.584   7.898
  231   2HB   GLU  33          1HB       GLU  33  -1.598  -4.663   6.989
  232   1HG   GLU  33          2HG       GLU  33  -1.794  -6.271   8.679
  233   2HG   GLU  33          1HG       GLU  33  -1.450  -7.173   7.201
  234    H    ASP  34           H        ASP  34  -0.076  -7.725   4.970
  235    HA   ASP  34           HA       ASP  34  -2.480  -7.069   3.423
  236   1HB   ASP  34          2HB       ASP  34  -1.915  -9.107   2.061
  237   2HB   ASP  34          1HB       ASP  34  -0.801  -7.765   1.877
  238    HA   PRO  35           HA       PRO  35  -4.397  -9.426   6.859
  239   1HB   PRO  35          2HB       PRO  35  -6.614  -8.889   4.951
  240   2HB   PRO  35          1HB       PRO  35  -6.567  -8.692   6.702
  241   1HG   PRO  35          2HG       PRO  35  -6.368  -6.617   4.939
  242   2HG   PRO  35          1HG       PRO  35  -5.694  -6.597   6.568
  243   1HD   PRO  35          2HD       PRO  35  -4.313  -6.672   4.011
  244   2HD   PRO  35          1HD       PRO  35  -3.658  -6.366   5.625
  245   1H    GLU 101          1H        GLU 101  13.990  -1.721   8.491
  246   2H    GLU 101          2H        GLU 101  14.700  -0.289   7.921
  247   3H    GLU 101          3H        GLU 101  13.203  -0.790   7.313
  248    HA   GLU 101           HA       GLU 101  12.152  -0.455   9.416
  249   1HB   GLU 101          2HB       GLU 101  14.147  -1.023  10.784
  250   2HB   GLU 101          1HB       GLU 101  14.865   0.518  10.345
  251   1HG   GLU 101          2HG       GLU 101  13.056   1.698  11.463
  252   2HG   GLU 101          1HG       GLU 101  12.301   0.160  11.880
  253    H    GLU 102           H        GLU 102  10.917   1.057   8.523
  254    HA   GLU 102           HA       GLU 102  11.877   3.784   8.394
  255   1HB   GLU 102          2HB       GLU 102  11.179   4.056   6.026
  256   2HB   GLU 102          1HB       GLU 102  12.543   2.963   6.216
  257   1HG   GLU 102          2HG       GLU 102  10.695   1.124   6.250
  258   2HG   GLU 102          1HG       GLU 102   9.729   2.362   5.453
  259    HA   PRO 103           HA       PRO 103   7.628   4.391   9.487
  260   1HB   PRO 103          2HB       PRO 103   7.372   7.035   9.046
  261   2HB   PRO 103          1HB       PRO 103   8.353   6.397  10.370
  262   1HG   PRO 103          2HG       PRO 103   9.211   7.434   7.702
  263   2HG   PRO 103          1HG       PRO 103   9.950   7.683   9.295
  264   1HD   PRO 103          2HD       PRO 103  10.854   5.863   7.451
  265   2HD   PRO 103          1HD       PRO 103  11.101   5.712   9.202
  266    HA   PRO 104           HA       PRO 104   5.342   4.217   5.677
  267   1HB   PRO 104          2HB       PRO 104   2.835   4.326   6.657
  268   2HB   PRO 104          1HB       PRO 104   3.872   2.916   6.884
  269   1HG   PRO 104          2HG       PRO 104   3.228   5.120   8.791
  270   2HG   PRO 104          1HG       PRO 104   3.387   3.381   9.095
  271   1HD   PRO 104          2HD       PRO 104   5.348   5.234   9.632
  272   2HD   PRO 104          1HD       PRO 104   5.654   3.514   9.332
  273    HA   PRO 105           HA       PRO 105   4.316   8.422   4.628
  274   1HB   PRO 105          2HB       PRO 105   2.984   7.457   2.241
  275   2HB   PRO 105          1HB       PRO 105   4.549   8.257   2.374
  276   1HG   PRO 105          2HG       PRO 105   4.245   5.648   1.657
  277   2HG   PRO 105          1HG       PRO 105   5.691   6.286   2.456
  278   1HD   PRO 105          2HD       PRO 105   3.388   4.776   3.630
  279   2HD   PRO 105          1HD       PRO 105   5.125   4.622   3.967
  280    HA   PRO 106           HA       PRO 106   0.051   8.827   5.807
  281   1HB   PRO 106          2HB       PRO 106   0.040  11.555   4.855
  282   2HB   PRO 106          1HB       PRO 106   0.115  10.970   6.519
  283   1HG   PRO 106          2HG       PRO 106   2.187  12.246   5.274
  284   2HG   PRO 106          1HG       PRO 106   2.401  11.082   6.592
  285   1HD   PRO 106          2HD       PRO 106   2.707  10.682   3.638
  286   2HD   PRO 106          1HD       PRO 106   3.707  10.063   4.970
  287    H    TYR 107           H        TYR 107  -2.034   9.002   4.917
  288    HA   TYR 107           HA       TYR 107  -2.061   8.338   2.116
  289   1HB   TYR 107          2HB       TYR 107  -3.491   7.070   3.606
  290   2HB   TYR 107          1HB       TYR 107  -4.313   8.533   4.132
  291    HD1  TYR 107           HD2      TYR 107  -3.957   6.088   1.436
  292    HD2  TYR 107           HD1      TYR 107  -5.966   9.614   2.693
  293    HE1  TYR 107           HE2      TYR 107  -5.609   5.781  -0.364
  294    HE2  TYR 107           HE1      TYR 107  -7.610   9.330   0.895
  295    HH   TYR 107           HH       TYR 107  -7.586   8.140  -1.446
  296    H    GLU 108           H        GLU 108  -1.762   9.991   0.795
  297    HA   GLU 108           HA       GLU 108  -3.755  12.160   0.885
  298   1HB   GLU 108          2HB       GLU 108  -1.419  12.933   1.352
  299   2HB   GLU 108          1HB       GLU 108  -0.944  12.325  -0.229
  300   1HG   GLU 108          2HG       GLU 108  -2.753  13.878  -1.161
  301   2HG   GLU 108          1HG       GLU 108  -2.738  14.638   0.430
  302    H    ASP 109           H        ASP 109  -2.621   9.453  -0.697
  303    HA   ASP 109           HA       ASP 109  -3.519  10.413  -3.325
  304   1HB   ASP 109          2HB       ASP 109  -1.082   9.825  -3.137
  305   2HB   ASP 109          1HB       ASP 109  -1.565   8.166  -2.800
  Start of MODEL   10
    1    HA   PRO   5           HA       PRO   5   0.343 -10.359  -2.465
    2   1HB   PRO   5          2HB       PRO   5  -1.756 -12.307  -2.325
    3   2HB   PRO   5          1HB       PRO   5  -0.624 -12.022  -3.645
    4   1HG   PRO   5          2HG       PRO   5  -0.670 -14.293  -2.087
    5   2HG   PRO   5          1HG       PRO   5   0.733 -13.727  -3.005
    6   1HD   PRO   5          2HD       PRO   5   0.136 -13.452  -0.094
    7   2HD   PRO   5          1HD       PRO   5   1.688 -13.743  -0.910
    8    H    LEU   6           H        LEU   6  -1.700  -9.258  -2.380
    9    HA   LEU   6           HA       LEU   6  -2.742  -9.081   0.346
   10   1HB   LEU   6          2HB       LEU   6  -3.658  -6.828  -0.335
   11   2HB   LEU   6          1HB       LEU   6  -1.926  -6.943  -0.189
   12    HG   LEU   6           HG       LEU   6  -2.661  -5.481  -2.055
   13   1HD1  LEU   6          1HD1      LEU   6  -1.217  -6.418  -3.797
   14   2HD1  LEU   6          2HD1      LEU   6  -1.184  -7.959  -2.940
   15   3HD1  LEU   6          3HD1      LEU   6  -0.481  -6.524  -2.196
   16   1HD2  LEU   6          1HD2      LEU   6  -4.695  -6.632  -2.712
   17   2HD2  LEU   6          2HD2      LEU   6  -3.759  -8.017  -3.271
   18   3HD2  LEU   6          3HD2      LEU   6  -3.602  -6.462  -4.086
   19    HA   PRO   7           HA       PRO   7  -6.811 -10.156  -1.250
   20   1HB   PRO   7          2HB       PRO   7  -8.210  -9.683   1.004
   21   2HB   PRO   7          1HB       PRO   7  -7.116 -11.063   0.887
   22   1HG   PRO   7          2HG       PRO   7  -6.774  -8.500   2.352
   23   2HG   PRO   7          1HG       PRO   7  -6.120 -10.107   2.714
   24   1HD   PRO   7          2HD       PRO   7  -4.780  -7.959   1.453
   25   2HD   PRO   7          1HD       PRO   7  -4.190  -9.619   1.643
   26    HA   PRO   8           HA       PRO   8  -6.824  -5.962  -2.101
   27   1HB   PRO   8          2HB       PRO   8  -7.970  -5.922  -4.541
   28   2HB   PRO   8          1HB       PRO   8  -6.392  -6.646  -4.222
   29   1HG   PRO   8          2HG       PRO   8  -8.986  -7.949  -4.764
   30   2HG   PRO   8          1HG       PRO   8  -7.348  -8.565  -5.013
   31   1HD   PRO   8          2HD       PRO   8  -9.125  -9.142  -2.855
   32   2HD   PRO   8          1HD       PRO   8  -7.447  -9.688  -3.054
   33    H    GLY   9           H        GLY   9  -8.565  -5.582  -0.303
   34   1HA   GLY   9          2HA       GLY   9 -10.144  -3.507  -1.608
   35   2HA   GLY   9          1HA       GLY   9  -9.729  -3.602   0.114
   36    H    TRP  10           H        TRP  10  -7.075  -4.465  -0.786
   37    HA   TRP  10           HA       TRP  10  -5.671  -1.971  -0.612
   38   1HB   TRP  10          2HB       TRP  10  -4.688  -4.836  -0.847
   39   2HB   TRP  10          1HB       TRP  10  -3.768  -3.455  -0.255
   40    HD1  TRP  10           HD1      TRP  10  -5.712  -6.299   0.936
   41    HE1  TRP  10           HE1      TRP  10  -6.348  -6.031   3.414
   42    HE3  TRP  10           HE3      TRP  10  -4.563  -1.395   1.489
   43    HZ2  TRP  10           HZ2      TRP  10  -6.341  -3.986   5.348
   44    HZ3  TRP  10           HZ3      TRP  10  -4.910  -0.359   3.651
   45    HH2  TRP  10           HH2      TRP  10  -5.771  -1.619   5.567
   46    H    GLU  11           H        GLU  11  -4.138  -1.296  -2.122
   47    HA   GLU  11           HA       GLU  11  -3.936  -2.791  -4.629
   48   1HB   GLU  11          2HB       GLU  11  -3.790  -0.593  -5.819
   49   2HB   GLU  11          1HB       GLU  11  -5.366  -0.883  -5.088
   50   1HG   GLU  11          2HG       GLU  11  -4.448   0.394  -3.088
   51   2HG   GLU  11          1HG       GLU  11  -3.191   0.953  -4.187
   52    H    LYS  12           H        LYS  12  -1.859  -2.559  -5.647
   53    HA   LYS  12           HA       LYS  12   0.144  -2.273  -3.566
   54   1HB   LYS  12          2HB       LYS  12  -0.116  -4.428  -4.774
   55   2HB   LYS  12          1HB       LYS  12   0.276  -3.609  -6.279
   56   1HG   LYS  12          2HG       LYS  12   2.236  -4.699  -5.558
   57   2HG   LYS  12          1HG       LYS  12   2.435  -2.970  -5.252
   58   1HD   LYS  12          2HD       LYS  12   2.011  -3.219  -2.941
   59   2HD   LYS  12          1HD       LYS  12   1.442  -4.877  -3.159
   60   1HE   LYS  12          2HE       LYS  12   4.264  -3.956  -3.685
   61   2HE   LYS  12          1HE       LYS  12   3.731  -4.720  -2.190
   62   1HZ   LYS  12          1HZ       LYS  12   3.159  -6.701  -3.428
   63   2HZ   LYS  12          2HZ       LYS  12   4.780  -6.289  -3.712
   64   3HZ   LYS  12          3HZ       LYS  12   3.604  -5.962  -4.893
   65    H    ARG  13           H        ARG  13   0.649  -0.097  -3.559
   66    HA   ARG  13           HA       ARG  13   1.515   1.060  -6.130
   67   1HB   ARG  13          2HB       ARG  13   0.134   2.445  -3.835
   68   2HB   ARG  13          1HB       ARG  13   0.834   3.267  -5.221
   69   1HG   ARG  13          2HG       ARG  13  -0.702   1.949  -6.682
   70   2HG   ARG  13          1HG       ARG  13  -1.488   1.357  -5.216
   71   1HD   ARG  13          2HD       ARG  13  -2.666   3.280  -6.191
   72   2HD   ARG  13          1HD       ARG  13  -2.057   3.616  -4.571
   73    HE   ARG  13           HE       ARG  13  -0.183   4.444  -6.524
   74   1HH1  ARG  13          1HH1      ARG  13  -3.249   5.332  -5.124
   75   2HH1  ARG  13          2HH1      ARG  13  -3.044   7.036  -5.397
   76   1HH2  ARG  13          1HH2      ARG  13   0.100   6.678  -6.928
   77   2HH2  ARG  13          2HH2      ARG  13  -1.167   7.791  -6.496
   78    H    THR  14           H        THR  14   3.266   2.341  -6.182
   79    HA   THR  14           HA       THR  14   5.128   2.184  -3.957
   80    HB   THR  14           HB       THR  14   6.464   3.544  -5.910
   81    HG1  THR  14           HG1      THR  14   5.813   2.051  -7.805
   82   1HG2  THR  14          1HG2      THR  14   7.217   1.506  -4.701
   83   2HG2  THR  14          2HG2      THR  14   7.600   1.480  -6.418
   84   3HG2  THR  14          3HG2      THR  14   6.243   0.533  -5.805
   85    H    ASP  15           H        ASP  15   6.055   3.972  -2.976
   86    HA   ASP  15           HA       ASP  15   4.871   6.573  -3.573
   87   1HB   ASP  15          2HB       ASP  15   6.212   7.473  -1.717
   88   2HB   ASP  15          1HB       ASP  15   5.217   6.132  -1.180
   89    H    SER  16           H        SER  16   6.577   8.367  -4.011
   90    HA   SER  16           HA       SER  16   6.528   8.031  -6.604
   91   1HB   SER  16          2HB       SER  16   7.181  10.126  -5.406
   92   2HB   SER  16          1HB       SER  16   8.832   9.513  -5.335
   93    HG   SER  16           HG       SER  16   9.105  10.082  -7.330
   94    H    ASN  17           H        ASN  17   9.676   7.261  -4.938
   95    HA   ASN  17           HA       ASN  17  10.564   6.261  -7.532
   96   1HB   ASN  17          2HB       ASN  17  12.321   6.054  -5.149
   97   2HB   ASN  17          1HB       ASN  17  12.717   6.486  -6.808
   98   1HD2  ASN  17          1HD2      ASN  17  11.675   7.618  -3.716
   99   2HD2  ASN  17          2HD2      ASN  17  11.813   9.318  -4.056
  100    H    GLY  18           H        GLY  18  11.152   4.960  -4.278
  101   1HA   GLY  18          2HA       GLY  18  11.482   2.353  -5.548
  102   2HA   GLY  18          1HA       GLY  18  12.134   2.827  -3.994
  103    H    ARG  19           H        ARG  19   9.523   3.729  -2.956
  104    HA   ARG  19           HA       ARG  19   9.461   1.086  -1.729
  105   1HB   ARG  19          2HB       ARG  19  10.099   3.204  -0.536
  106   2HB   ARG  19          1HB       ARG  19   8.426   3.706  -0.688
  107   1HG   ARG  19          2HG       ARG  19   7.807   1.624   0.584
  108   2HG   ARG  19          1HG       ARG  19   9.532   1.438   0.924
  109   1HD   ARG  19          2HD       ARG  19   7.875   3.873   1.573
  110   2HD   ARG  19          1HD       ARG  19   8.325   2.619   2.724
  111    HE   ARG  19           HE       ARG  19  10.662   3.305   2.382
  112   1HH1  ARG  19          1HH1      ARG  19   8.220   5.494   1.161
  113   2HH1  ARG  19          2HH1      ARG  19   9.120   6.926   1.569
  114   1HH2  ARG  19          1HH2      ARG  19  11.862   5.170   2.913
  115   2HH2  ARG  19          2HH2      ARG  19  11.205   6.743   2.577
  116    H    VAL  20           H        VAL  20   7.762  -0.211  -1.724
  117    HA   VAL  20           HA       VAL  20   5.233   0.850  -2.762
  118    HB   VAL  20           HB       VAL  20   6.334  -0.860  -4.170
  119   1HG1  VAL  20          1HG1      VAL  20   6.297  -3.216  -3.448
  120   2HG1  VAL  20          2HG1      VAL  20   5.824  -2.691  -1.832
  121   3HG1  VAL  20          3HG1      VAL  20   7.394  -2.226  -2.490
  122   1HG2  VAL  20          1HG2      VAL  20   3.687  -1.676  -2.983
  123   2HG2  VAL  20          2HG2      VAL  20   4.334  -2.237  -4.525
  124   3HG2  VAL  20          3HG2      VAL  20   3.938  -0.533  -4.305
  125    H    TYR  21           H        TYR  21   3.294   0.261  -1.829
  126    HA   TYR  21           HA       TYR  21   3.324  -0.940   0.802
  127   1HB   TYR  21          2HB       TYR  21   2.218   1.069   1.805
  128   2HB   TYR  21          1HB       TYR  21   3.899   1.315   1.354
  129    HD1  TYR  21           HD2      TYR  21   0.408   1.951   0.186
  130    HD2  TYR  21           HD1      TYR  21   4.510   3.066  -0.037
  131    HE1  TYR  21           HE2      TYR  21  -0.201   3.942  -1.126
  132    HE2  TYR  21           HE1      TYR  21   3.912   5.055  -1.336
  133    HH   TYR  21           HH       TYR  21   2.088   5.818  -2.786
  134    H    PHE  22           H        PHE  22   1.237  -1.485   1.624
  135    HA   PHE  22           HA       PHE  22  -0.694  -1.911  -0.532
  136   1HB   PHE  22          2HB       PHE  22  -0.702  -2.845   2.361
  137   2HB   PHE  22          1HB       PHE  22  -1.935  -3.254   1.181
  138    HD1  PHE  22           HD2      PHE  22   1.232  -3.229  -0.392
  139    HD2  PHE  22           HD1      PHE  22  -1.259  -5.558   2.154
  140    HE1  PHE  22           HE2      PHE  22   2.491  -5.252  -1.015
  141    HE2  PHE  22           HE1      PHE  22  -0.006  -7.580   1.536
  142    HZ   PHE  22           HZ       PHE  22   1.869  -7.434  -0.055
  143    H    VAL  23           H        VAL  23  -2.014  -0.292  -0.894
  144    HA   VAL  23           HA       VAL  23  -2.934   1.350   1.371
  145    HB   VAL  23           HB       VAL  23  -1.527   2.718   0.045
  146   1HG1  VAL  23          1HG1      VAL  23  -1.381   1.266  -1.910
  147   2HG1  VAL  23          2HG1      VAL  23  -1.714   2.938  -2.379
  148   3HG1  VAL  23          3HG1      VAL  23  -3.012   1.742  -2.390
  149   1HG2  VAL  23          1HG2      VAL  23  -3.585   3.837   0.666
  150   2HG2  VAL  23          2HG2      VAL  23  -4.376   3.246  -0.795
  151   3HG2  VAL  23          3HG2      VAL  23  -3.046   4.397  -0.916
  152    H    ASN  24           H        ASN  24  -5.077   1.823   1.531
  153    HA   ASN  24           HA       ASN  24  -6.862   0.739  -0.552
  154   1HB   ASN  24          2HB       ASN  24  -6.873  -0.588   1.581
  155   2HB   ASN  24          1HB       ASN  24  -7.415   0.854   2.425
  156   1HD2  ASN  24          1HD2      ASN  24  -8.703  -1.735   2.176
  157   2HD2  ASN  24          2HD2      ASN  24 -10.247  -1.436   1.458
  158    H    HIS  25           H        HIS  25  -8.141   2.244  -1.449
  159    HA   HIS  25           HA       HIS  25  -7.975   4.972  -0.626
  160   1HB   HIS  25          2HB       HIS  25  -9.567   3.547  -2.743
  161   2HB   HIS  25          1HB       HIS  25  -9.815   5.256  -2.415
  162    HD1  HIS  25           HD1      HIS  25  -8.898   6.163  -4.577
  163    HD2  HIS  25           HD2      HIS  25  -6.255   3.609  -2.642
  164    HE1  HIS  25           HE1      HIS  25  -6.741   6.329  -5.853
  165    HE2  HIS  25           HE2      HIS  25  -5.294   4.522  -4.855
  166    H    ASN  26           H        ASN  26 -10.317   2.422  -0.200
  167    HA   ASN  26           HA       ASN  26 -12.483   4.067   0.609
  168   1HB   ASN  26          2HB       ASN  26 -11.913   1.130   1.042
  169   2HB   ASN  26          1HB       ASN  26 -13.410   1.910   1.541
  170   1HD2  ASN  26          1HD2      ASN  26 -14.922   2.459   0.020
  171   2HD2  ASN  26          2HD2      ASN  26 -14.815   1.966  -1.638
  172    H    THR  27           H        THR  27  -9.930   2.358   2.341
  173    HA   THR  27           HA       THR  27 -10.930   3.257   4.910
  174    HB   THR  27           HB       THR  27  -9.080   2.077   5.885
  175    HG1  THR  27           HG1      THR  27  -7.400   1.359   4.721
  176   1HG2  THR  27          1HG2      THR  27 -11.051   0.769   5.287
  177   2HG2  THR  27          2HG2      THR  27  -9.585  -0.198   5.123
  178   3HG2  THR  27          3HG2      THR  27 -10.373   0.462   3.689
  179    H    ARG  28           H        ARG  28  -8.656   4.243   2.517
  180    HA   ARG  28           HA       ARG  28  -7.278   6.033   2.304
  181   1HB   ARG  28          2HB       ARG  28  -8.716   6.942   4.803
  182   2HB   ARG  28          1HB       ARG  28  -7.565   7.935   3.919
  183   1HG   ARG  28          2HG       ARG  28  -8.973   8.031   2.012
  184   2HG   ARG  28          1HG       ARG  28 -10.041   6.783   2.656
  185   1HD   ARG  28          2HD       ARG  28  -9.607   9.480   3.926
  186   2HD   ARG  28          1HD       ARG  28 -10.942   9.096   2.840
  187    HE   ARG  28           HE       ARG  28 -10.858   7.231   4.964
  188   1HH1  ARG  28          1HH1      ARG  28 -11.608  10.604   4.346
  189   2HH1  ARG  28          2HH1      ARG  28 -12.831  10.686   5.579
  190   1HH2  ARG  28          1HH2      ARG  28 -12.465   7.330   6.580
  191   2HH2  ARG  28          2HH2      ARG  28 -13.328   8.815   6.849
  192    H    ILE  29           H        ILE  29  -6.491   3.641   3.707
  193    HA   ILE  29           HA       ILE  29  -4.495   4.730   5.583
  194    HB   ILE  29           HB       ILE  29  -5.792   1.995   5.680
  195   1HG1  ILE  29          2HG1      ILE  29  -6.102   4.383   7.521
  196   2HG1  ILE  29          1HG1      ILE  29  -7.309   3.821   6.370
  197   1HG2  ILE  29          1HG2      ILE  29  -4.598   1.747   7.816
  198   2HG2  ILE  29          2HG2      ILE  29  -3.796   3.293   7.537
  199   3HG2  ILE  29          3HG2      ILE  29  -3.490   1.935   6.456
  200   1HD1  ILE  29          1HD1      ILE  29  -6.295   2.303   8.762
  201   2HD1  ILE  29          2HD1      ILE  29  -7.485   1.713   7.604
  202   3HD1  ILE  29          3HD1      ILE  29  -7.857   3.108   8.616
  203    H    THR  30           H        THR  30  -2.416   4.119   5.357
  204    HA   THR  30           HA       THR  30  -1.717   2.332   3.125
  205    HB   THR  30           HB       THR  30   0.552   3.617   3.419
  206    HG1  THR  30           HG1      THR  30   0.455   5.446   4.561
  207   1HG2  THR  30          1HG2      THR  30  -0.854   3.791   1.433
  208   2HG2  THR  30          2HG2      THR  30  -0.223   5.376   1.882
  209   3HG2  THR  30          3HG2      THR  30  -1.896   4.953   2.255
  210    H    GLN  31           H        GLN  31  -0.901   0.387   3.761
  211    HA   GLN  31           HA       GLN  31   0.417   0.253   6.381
  212   1HB   GLN  31          2HB       GLN  31  -1.508  -1.717   5.260
  213   2HB   GLN  31          1HB       GLN  31  -0.599  -1.956   6.735
  214   1HG   GLN  31          2HG       GLN  31  -1.694   0.068   7.661
  215   2HG   GLN  31          1HG       GLN  31  -2.683   0.146   6.203
  216   1HE2  GLN  31          1HE2      GLN  31  -3.473  -0.187   8.982
  217   2HE2  GLN  31          2HE2      GLN  31  -4.369  -1.671   9.045
  218    H    TRP  32           H        TRP  32   2.079  -1.208   6.667
  219    HA   TRP  32           HA       TRP  32   3.314  -2.284   4.251
  220   1HB   TRP  32          2HB       TRP  32   4.258  -2.444   7.127
  221   2HB   TRP  32          1HB       TRP  32   5.206  -2.837   5.698
  222    HD1  TRP  32           HD1      TRP  32   4.950  -0.215   8.115
  223    HE1  TRP  32           HE1      TRP  32   5.784   2.045   7.203
  224    HE3  TRP  32           HE3      TRP  32   4.959  -1.323   3.138
  225    HZ2  TRP  32           HZ2      TRP  32   6.339   3.209   4.674
  226    HZ3  TRP  32           HZ3      TRP  32   5.650   0.406   1.542
  227    HH2  TRP  32           HH2      TRP  32   6.327   2.621   2.288
  228    H    GLU  33           H        GLU  33   1.341  -3.240   6.844
  229    HA   GLU  33           HA       GLU  33   2.018  -6.068   6.618
  230   1HB   GLU  33          2HB       GLU  33   0.614  -6.312   8.634
  231   2HB   GLU  33          1HB       GLU  33   1.898  -5.133   8.870
  232   1HG   GLU  33          2HG       GLU  33   0.275  -3.329   8.426
  233   2HG   GLU  33          1HG       GLU  33  -0.996  -4.542   8.295
  234    H    ASP  34           H        ASP  34   0.448  -7.631   6.107
  235    HA   ASP  34           HA       ASP  34  -1.976  -6.571   4.854
  236   1HB   ASP  34          2HB       ASP  34  -2.053  -8.603   3.535
  237   2HB   ASP  34          1HB       ASP  34  -0.468  -7.872   3.363
  238    HA   PRO  35           HA       PRO  35  -4.243  -8.534   8.244
  239   1HB   PRO  35          2HB       PRO  35  -6.653  -8.172   6.835
  240   2HB   PRO  35          1HB       PRO  35  -6.021  -7.129   8.110
  241   1HG   PRO  35          2HG       PRO  35  -5.996  -6.746   5.181
  242   2HG   PRO  35          1HG       PRO  35  -5.948  -5.551   6.470
  243   1HD   PRO  35          2HD       PRO  35  -3.798  -6.220   4.930
  244   2HD   PRO  35          1HD       PRO  35  -3.670  -5.574   6.574
  245   1H    GLU 101          1H        GLU 101  10.171  -1.423   8.656
  246   2H    GLU 101          2H        GLU 101  11.123  -2.659   7.996
  247   3H    GLU 101          3H        GLU 101  10.709  -1.317   7.051
  248    HA   GLU 101           HA       GLU 101  12.423  -1.259   9.466
  249   1HB   GLU 101          2HB       GLU 101  13.512  -2.356   7.573
  250   2HB   GLU 101          1HB       GLU 101  13.074  -1.019   6.520
  251   1HG   GLU 101          2HG       GLU 101  14.505   0.469   7.856
  252   2HG   GLU 101          1HG       GLU 101  14.975  -0.908   8.852
  253    H    GLU 102           H        GLU 102  10.968   0.400   6.758
  254    HA   GLU 102           HA       GLU 102  11.692   3.009   7.813
  255   1HB   GLU 102          2HB       GLU 102  10.582   3.802   5.681
  256   2HB   GLU 102          1HB       GLU 102  12.003   2.793   5.459
  257   1HG   GLU 102          2HG       GLU 102   9.211   1.684   5.353
  258   2HG   GLU 102          1HG       GLU 102  10.020   2.357   3.938
  259    HA   PRO 103           HA       PRO 103   7.607   3.606   9.515
  260   1HB   PRO 103          2HB       PRO 103   7.906   6.476   9.316
  261   2HB   PRO 103          1HB       PRO 103   8.004   5.462  10.757
  262   1HG   PRO 103          2HG       PRO 103  10.147   6.793   9.683
  263   2HG   PRO 103          1HG       PRO 103  10.281   5.315  10.652
  264   1HD   PRO 103          2HD       PRO 103  10.387   5.649   7.679
  265   2HD   PRO 103          1HD       PRO 103  11.348   4.588   8.734
  266    HA   PRO 104           HA       PRO 104   5.278   4.091   5.907
  267   1HB   PRO 104          2HB       PRO 104   2.775   4.348   6.858
  268   2HB   PRO 104          1HB       PRO 104   3.707   2.860   7.055
  269   1HG   PRO 104          2HG       PRO 104   3.206   5.056   9.025
  270   2HG   PRO 104          1HG       PRO 104   3.204   3.302   9.279
  271   1HD   PRO 104          2HD       PRO 104   5.312   4.940   9.909
  272   2HD   PRO 104          1HD       PRO 104   5.474   3.215   9.527
  273    HA   PRO 105           HA       PRO 105   4.363   8.379   4.996
  274   1HB   PRO 105          2HB       PRO 105   3.354   7.996   2.527
  275   2HB   PRO 105          1HB       PRO 105   5.084   7.856   2.861
  276   1HG   PRO 105          2HG       PRO 105   3.037   5.709   2.531
  277   2HG   PRO 105          1HG       PRO 105   4.710   5.767   1.944
  278   1HD   PRO 105          2HD       PRO 105   3.912   4.403   4.185
  279   2HD   PRO 105          1HD       PRO 105   5.554   5.015   3.926
  280    HA   PRO 106           HA       PRO 106  -0.047   8.531   5.783
  281   1HB   PRO 106          2HB       PRO 106  -0.042  11.325   5.025
  282   2HB   PRO 106          1HB       PRO 106  -0.201  10.624   6.635
  283   1HG   PRO 106          2HG       PRO 106   1.970  12.064   5.820
  284   2HG   PRO 106          1HG       PRO 106   2.035  10.819   7.080
  285   1HD   PRO 106          2HD       PRO 106   2.819  10.643   4.195
  286   2HD   PRO 106          1HD       PRO 106   3.622   9.957   5.625
  287    H    TYR 107           H        TYR 107  -1.970   8.682   4.542
  288    HA   TYR 107           HA       TYR 107  -1.466   8.183   1.763
  289   1HB   TYR 107          2HB       TYR 107  -3.064   6.746   2.768
  290   2HB   TYR 107          1HB       TYR 107  -3.964   8.095   3.455
  291    HD1  TYR 107           HD1      TYR 107  -2.968   6.650   0.156
  292    HD2  TYR 107           HD2      TYR 107  -5.856   8.867   2.357
  293    HE1  TYR 107           HE1      TYR 107  -4.441   6.679  -1.809
  294    HE2  TYR 107           HE2      TYR 107  -7.339   8.895   0.399
  295    HH   TYR 107           HH       TYR 107  -7.115   8.721  -2.077
  296    H    GLU 108           H        GLU 108  -1.736   9.458   0.102
  297    HA   GLU 108           HA       GLU 108  -3.127  12.025   0.467
  298   1HB   GLU 108          2HB       GLU 108  -0.818  11.480  -1.414
  299   2HB   GLU 108          1HB       GLU 108  -1.568  13.036  -1.078
  300   1HG   GLU 108          2HG       GLU 108  -0.749  12.954   1.207
  301   2HG   GLU 108          1HG       GLU 108  -0.027  11.374   0.898
  302    H    ASP 109           H        ASP 109  -4.523  12.647  -1.169
  303    HA   ASP 109           HA       ASP 109  -5.397  10.546  -2.949
  304   1HB   ASP 109          2HB       ASP 109  -6.411  13.320  -2.362
  305   2HB   ASP 109          1HB       ASP 109  -7.050  12.379  -3.707