*HEADER    TOXIN                                   30-SEP-14   2MVA              
*TITLE     SOLUTION STRUCTURE OF THE TOXIN, RHTX                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHTX TOXIN;                                                
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SCOLOPENDRA SUBSPINIPES;                        
*SOURCE   3 ORGANISM_TAXID: 55038                                                
*KEYWDS    TOXIN                                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    J.HONG, S.YANG                                                        
*REVDAT   1   14-OCT-15 2MVA    0                                                


      Assignment         w1         w2        Volume   Data Height 

         N2H-L1HA      8.898      4.015   8.98e+07 ga      7351866 
           N2H-HA      8.897      4.764   1.84e+08 ga     14070246 
         N3H-N2HA      8.637      4.756   3.51e+08 ga     26969292 
           N3H-HA      8.638      4.971   1.42e+08 ga      8467212 
          N3H-HB2      8.638      2.903   2.11e+08 ga      6985444 
          N3H-HB3      8.640      2.692   1.29e+08 ga      6725284 
         P4HA-HB2      4.500      2.320   2.27e+08 ga      8033056 
         P4HA-HG3      4.507      1.904   4.59e+07 ga      4063178 
        P4HD2-HG2      3.843      2.071   5.31e+08 ga     17454232 
        P4HD3-HG2      3.749      2.064   4.51e+08 ga     16744365 
         C5H-P4HA      8.325      4.507   4.07e+07 ga      3388758 
          C5H-HB2      8.328      3.116   5.21e+06 ga      1475815 
          C5H-HB3      8.326      3.012   7.14e+07 ga      3492606 
          C5HB2-H      3.107      8.320   1.93e+08 ga      6346510 
        C5HB2-N6H      3.105      8.198   7.87e+07 ga      2997536 
          C5HB3-H      3.010      8.320   3.49e+08 ga     11378343 
        C5HB3-N6H      3.009      8.191   1.20e+08 ga      2172024 
         N6HA-HB3      4.495      2.761   9.36e+07 ga      5619538 
       N6HD21-HB2      6.977      2.944   2.56e+07 ga      2446423 
       N6HD21-HB3      6.976      2.770   5.56e+06 ga      1974404 
         G7H-N6HA      8.622      4.500   4.21e+08 ga     19996052 
          G7H-N6H      8.620      8.205   3.61e+07 ga      1691406 
        G7H-N6HB3      8.632      2.775   6.77e+07 ga      3103061 
          G7H-HA2      8.623      4.111   1.61e+08 ga      8154232 
          G7H-HA3      8.622      3.726   2.90e+08 ga     15443868 
          G7H-V8H      8.622      7.647   1.03e+08 ga      3869328 
         G7H-V8HB      8.620      2.162   3.02e+06 ga      1321551 
        V8H-G7HA2      7.642      4.114   5.30e+07 ga      1626071 
        V8H-G7HA3      7.644      3.720   2.15e+07 ga      1345872 
           V8H-HB      7.642      2.177   9.88e+07 ga      3911864 
         V8H-HG21      7.641      0.883   6.01e+07 ga      4430534 
          V8HA-HB      4.258      2.175   1.63e+08 ga      5084554 
        V8HA-HG21      4.261      0.882   5.49e+08 ga     15402789 
        V8HB-HG11      2.173      0.846   7.08e+08 ga     20709888 
          T9H-V8H      8.506      7.649   1.53e+07 ga      1343780 
         T9H-V8HA      8.504      4.260   2.84e+08 ga     17803730 
         T9H-V8HB      8.503      2.174   5.40e+07 ga      2206082 
       T9H-V8HG11      8.504      0.830   7.69e+07 ga      4671004 
       T9H-V8HG21      8.500      0.892   1.92e+07 ga      2614795 
           T9H-HA      8.498      4.428   8.37e+07 ga      6654561 
           T9H-HB      8.503      4.062   1.50e+08 ga      6536402 
         T9H-HG21      8.505      1.170   2.84e+07 ga      2619030 
        T9HA-HG21      4.428      1.167   2.07e+08 ga     12736758 
        T9HB-HG21      4.054      1.168   7.60e+08 ga     33071072 
      C10H-V8HG11      8.848      0.840   4.41e+07 ga      2100750 
        C10H-T9HA      8.835      4.426   8.96e+08 ga     73835368 
        C10H-T9HB      8.836      4.059   6.10e+07 ga      5238894 
      C10H-T9HG21      8.836      1.164   1.65e+08 ga     10932349 
          C10H-HA      8.835      5.139   1.98e+08 ga     13230585 
         C10H-HB2      8.838      2.847   1.16e+08 ga      8957718 
         C10H-HB3      8.836      2.497   4.35e+08 ga     23715000 
        C10HA-HB2      5.137      2.842   1.52e+08 ga      8119236 
     C10HA-P11HD2      5.137      3.769   7.28e+08 ga     20237798 
     C10HA-P11HD3      5.138      2.932   2.28e+08 ga     12619370 
        P11HA-HG2      4.507      1.747   7.49e+07 ga      3766734 
       P11HB2-HG2      2.290      1.750   1.33e+09 ga     57281704 
       P11HD2-HD3      3.770      2.932   1.61e+09 ga     91434992 
       P11HD2-HG2      3.770      1.732   5.08e+08 ga     16400136 
       P11HD2-HG3      3.768      1.452   3.05e+08 ga     10190754 
       P11HD3-HG2      2.931      1.736   2.11e+08 ga      7824062 
       P11HD3-HG3      2.920      1.452   6.66e+08 ga     12808851 
       S12H-P11HA      8.459      4.501   4.69e+08 ga     51913776 
      S12H-P11HB2      8.459      2.290   1.15e+08 ga      7317312 
      S12H-P11HG2      8.459      1.753   1.22e+08 ga      7527582 
          S12H-HA      8.459      4.307   1.29e+08 ga     13250756 
         S12H-HB2      8.459      3.903   3.53e+08 ga     32929446 
       G13H-S12HA      9.088      4.306   1.06e+09 ga     56181700 
      G13H-S12HB2      9.086      3.900   1.09e+08 ga      7810264 
         G13H-HA2      9.090      4.387   1.99e+08 ga     17671076 
         G13H-HA3      9.087      3.703   5.25e+08 ga     25896650 
        G13H-Y14H      9.088      8.411   3.58e+08 ga     21748368 
      G13H-Y14HE2      9.089      6.742   2.78e+06 ga      1380977 
      Y14H-C10HB2      8.416      2.843   2.56e+07 ga      1465020 
      Y14H-G13HA3      8.409      3.704   6.56e+07 ga      3675944 
         Y14H-HB2      8.412      3.296   3.09e+08 ga      9111411 
         Y14H-HB3      8.411      2.475   1.31e+08 ga      4130214 
         Y14H-HE2      8.410      6.736   1.45e+08 ga      9010645 
      Y14H-C23HB2      8.422      2.929   4.13e+06 ga      1119710 
        Y14HA-HB2      5.145      3.298   5.95e+08 ga     20182272 
        Y14HA-HB3      5.139      2.482   3.26e+08 ga     14557776 
     Y14HA-R15HB3      5.137      1.719   3.56e+07 ga      2541508 
    Y14HA-I24HG12      5.141      1.460   1.53e+07 ga      1867695 
    Y14HA-I24HG13      5.142      1.197   9.72e+06 ga      1758382 
    Y14HB2-P11HG2      3.297      1.739   3.95e+07 ga      2502715 
    Y14HE1-P11HG2      6.779      1.751   1.13e+08 ga      7944665 
       Y14HE1-HB2      6.779      3.298   2.20e+08 ga     13790367 
       Y14HE1-HB3      6.779      2.473   1.66e+08 ga     12397262 
     Y14HE1-R15HA      6.777      4.785   1.06e+07 ga      1918274 
    Y14HE1-C23HB2      6.780      2.932   7.35e+07 ga      6110336 
     Y14HE1-I24HB      6.782      1.950   1.47e+07 ga      1772552 
   Y14HE1-I24HD11      6.781      0.986   6.06e+07 ga      6852586 
    Y14HE1-K25HB2      6.780      1.550   6.11e+07 ga      3936198 
    Y14HE1-K25HD2      6.781      1.320   8.69e+07 ga      7116937 
    Y14HE1-K25HG2      6.782      1.081   3.23e+07 ga      4191838 
    Y14HE2-C10HB2      6.734      2.841   7.12e+07 ga      4748830 
    Y14HE2-P11HG2      6.735      1.752   2.27e+08 ga     13019988 
        Y14HE2-HA      6.734      5.143   6.02e+07 ga      9612330 
       Y14HE2-HB2      6.735      3.296   1.40e+08 ga     37781824 
       Y14HE2-HB3      6.734      2.471   3.48e+08 ga     39759980 
     Y14HE2-R15HA      6.735      4.788   3.48e+07 ga      3739194 
    Y14HE2-C23HB2      6.734      2.939   2.50e+08 ga     13192623 
    Y14HE2-C23HB3      6.735      2.637   2.34e+08 ga     15938351 
     Y14HE2-I24HB      6.737      1.952   1.32e+07 ga      1581378 
   Y14HE2-I24HD11      6.736      0.990   4.43e+07 ga      4705464 
   Y14HE2-I24HG21      6.739      0.873   9.76e+06 ga      2240720 
    Y14HE2-K25HD2      6.735      1.328   4.52e+07 ga      3414732 
    Y14HE2-K25HG2      6.738      1.078   1.56e+07 ga      3120989 
      R15H-C10HB2      9.555      2.843   3.60e+07 ga      3267366 
        R15H-G13H      9.555      9.074   3.81e+07 ga      2590871 
        R15H-Y14H      9.557      8.410   1.32e+07 ga      2153980 
       R15H-Y14HA      9.556      5.143   7.81e+08 ga     58582592 
      R15H-Y14HB2      9.556      3.298   2.51e+08 ga     13934087 
      R15H-Y14HB3      9.556      2.473   3.63e+08 ga     21617528 
      R15H-Y14HE2      9.556      6.739   6.44e+07 ga      5231988 
          R15H-HA      9.563      4.794   6.86e+07 ga      3798356 
         R15H-HB2      9.555      1.814   7.92e+07 ga      6082578 
         R15H-HB3      9.555      1.712   1.00e+08 ga      7397624 
         R15H-HG2      9.556      1.499   3.53e+08 ga     12907071 
        R15H-S17H      9.553      8.871   2.56e+07 ga      1485042 
     R15H-I18HG13      9.553      1.310   5.46e+06 ga      1901254 
      R15H-C23HB2      9.556      2.934   3.20e+07 ga      3050867 
      R15H-C23HB3      9.554      2.646   3.43e+07 ga      3564798 
     R15H-I24HD11      9.553      0.981   3.65e+07 ga      2694616 
     R15H-I24HG13      9.555      1.210   9.15e+07 ga      4387114 
        R15H-K25H      9.557      8.721   1.68e+07 ga      1344712 
        R15H-K26H      9.555      8.163   7.17e+07 ga      3654218 
       R15H-K26HA      9.554      4.078   9.97e+06 ga      1393822 
         R15HE-HA      7.400      4.773   6.02e+07 ga      6564477 
        R15HE-HB3      7.402      1.709   6.61e+07 ga      2112465 
        R15HE-HD2      7.399      3.145   2.42e+08 ga      9135983 
        R15HE-HG2      7.402      1.498   8.10e+07 ga      4220404 
    R15HE-I24HD11      7.407      0.983   1.66e+07 ga      2708632 
    R15HE-I24HG21      7.407      0.885   1.75e+07 ga      2826962 
      C16H-Y14HB2      9.084      3.311   7.06e+06 ga      2467572 
      C16H-Y14HB3      9.083      2.488   3.91e+07 ga      2905968 
       C16H-R15HA      9.082      4.780   2.72e+08 ga     17342616 
      C16H-R15HB2      9.082      1.809   2.25e+08 ga     16765848 
      C16H-R15HB3      9.083      1.715   1.17e+08 ga     10168112 
      C16H-R15HG2      9.083      1.480   5.66e+07 ga      3511286 
          C16H-HA      9.083      4.571   2.14e+08 ga     15401151 
         C16H-HB2      9.082      3.039   4.18e+08 ga     33603752 
         C16H-HB3      9.082      2.944   4.31e+08 ga     36485644 
     C16H-V19HG11      9.082      0.991   6.35e+06 ga      1430062 
     C16H-V19HG21      9.087      0.914   6.05e+06 ga      1570853 
       S17H-C16HA      8.863      4.570   1.64e+09 ga    107444096 
          S17H-HA      8.866      4.206   3.44e+08 ga     19657364 
         S17H-HB2      8.865      3.905   2.42e+08 ga     13635433 
        S17HA-HB2      4.206      3.906   1.74e+09 ga     76820200 
     S17HA-D20HB2      4.204      2.712   9.48e+07 ga      8352598 
    S17HA-I24HG12      4.205      1.441   5.12e+07 ga      3212685 
   S17HB2-I24HG13      3.905      1.206   2.51e+08 ga      9665419 
       I18H-S17HA      8.616      4.213   2.68e+07 ga      2300884 
          I18H-HA      8.615      3.906   2.11e+08 ga     17237582 
          I18H-HB      8.616      1.972   2.96e+08 ga     20169400 
         I18H-HD2      8.616      0.982   2.00e+08 ga     16742519 
        I18H-HG12      8.615      1.518   1.87e+08 ga     10528553 
        I18H-HG13      8.615      1.313   2.13e+08 ga     13536057 
        I18H-V19H      8.615      7.852   1.46e+08 ga     10437225 
     I18H-V19HG21      8.616      0.899   3.52e+07 ga      3435041 
        I18HA-HD2      3.905      0.976   6.53e+08 ga     44247628 
          V19H-HA      7.859      3.820   3.76e+07 ga      4017753 
          V19H-HB      7.855      1.948   9.93e+07 ga      4342646 
        V19H-HG11      7.856      0.984   5.41e+07 ga      5417177 
        V19H-HG21      7.856      0.906   1.84e+07 ga      1903386 
        V19H-D20H      7.855      7.450   3.79e+07 ga      2324204 
         V19HA-HB      3.822      1.941   1.70e+08 ga     19002092 
       V19HA-HG11      3.822      0.985   5.63e+08 ga     30754964 
       V19HA-HG21      3.822      0.913   2.82e+08 ga     22559624 
       V19HB-HG11      1.960      0.981   1.21e+09 ga     43323184 
       V19HB-HG21      1.960      0.901   5.03e+08 ga     24108942 
       D20H-I18HA      7.454      3.899   9.26e+07 ga      5510159 
       D20H-V19HA      7.449      3.828   8.92e+07 ga      4789920 
       D20H-V19HB      7.449      1.939   2.06e+08 ga     12135266 
     D20H-V19HG11      7.449      0.990   6.71e+07 ga      6055483 
     D20H-V19HG21      7.448      0.915   4.36e+07 ga      4738050 
          D20H-HA      7.445      4.687   1.29e+08 ga      9894509 
         D20H-HB2      7.449      2.711   3.59e+08 ga     16040383 
   D20HB2-V19HG11      2.708      0.982   5.17e+07 ga      6029254 
   D20HB2-V19HG21      2.709      0.905   8.13e+07 ga      7027691 
        K21H-D20H      8.233      7.459   9.68e+07 ga      5948518 
       K21H-D20HA      8.235      4.679   5.56e+07 ga      1355529 
          K21H-HA      8.233      3.880   1.06e+08 ga      8206702 
         K21H-HG2      8.235      1.353   2.12e+07 ga      1337308 
       Q22H-K21HA      7.484      3.880   2.77e+08 ga     20215338 
      Q22H-K21HG2      7.482      1.346   7.54e+06 ga      1889443 
          Q22H-HA      7.484      4.573   1.91e+08 ga     14510029 
         Q22H-HB2      7.484      1.897   2.12e+08 ga     12539447 
         Q22H-HG2      7.484      2.209   1.39e+08 ga      9209519 
         Q22H-HG3      7.485      2.084   6.73e+07 ga      6481094 
        Q22HA-HB2      4.584      1.894   2.38e+07 ga      2630665 
        Q22HA-HG3      4.577      2.094   3.31e+07 ga      2526214 
        C23H-K21H      8.864      8.238   1.48e+07 ga      1508701 
        C23H-Q22H      8.866      7.481   1.34e+08 ga      8147150 
      C23H-Q22HB2      8.861      1.895   1.91e+08 ga      8919068 
      C23H-Q22HG2      8.861      2.203   1.10e+08 ga      5142151 
      C23H-Q22HG3      8.861      2.087   2.19e+08 ga     12161389 
          C23H-HA      8.863      5.076   3.00e+08 ga     16392690 
         C23H-HB2      8.861      2.947   4.93e+08 ga     30489842 
         C23H-HB3      8.861      2.631   1.53e+08 ga      9537265 
     C23H-I24HD11      8.862      0.986   3.05e+07 ga      4451377 
     C23H-I24HG12      8.863      1.436   8.88e+06 ga      1670144 
     C23H-I24HG21      8.862      0.871   2.74e+07 ga      2705968 
        C23HA-HB3      5.082      2.631   1.45e+08 ga      6182480 
      I24H-Y14HB3      9.495      2.476   1.13e+08 ga      5198689 
      I24H-Y14HE2      9.497      6.739   6.45e+07 ga      4829588 
        I24H-C23H      9.495      8.865   1.49e+08 ga      4939798 
       I24H-C23HA      9.496      5.075   9.30e+08 ga     63832304 
      I24H-C23HB2      9.495      2.937   6.15e+07 ga      3954646 
      I24H-C23HB3      9.495      2.639   9.45e+07 ga      6333618 
          I24H-HA      9.507      4.787   4.17e+07 ga      4516886 
          I24H-HB      9.495      1.964   1.64e+08 ga      8845872 
        I24H-HD11      9.497      0.984   1.32e+08 ga      7996712 
        I24H-HG12      9.496      1.442   1.75e+08 ga      9617425 
        I24H-HG13      9.497      1.207   3.33e+08 ga     14309587 
        I24H-HG21      9.496      0.881   3.58e+07 ga      2687362 
        I24H-K25H      9.495      8.714   5.20e+07 ga      1877338 
       I24H-K25HA      9.498      3.295   4.37e+07 ga      2587478 
      I24H-K25HD2      9.499      1.320   3.05e+07 ga      2313439 
      I24H-K25HG2      9.496      1.088   2.86e+06 ga      1435827 
       K25H-Y14HA      8.720      5.137   2.98e+07 ga      1607257 
      K25H-Y14HE2      8.719      6.750   1.84e+08 ga      6573586 
       K25H-I24HA      8.719      4.790   2.71e+08 ga     21879630 
       K25H-I24HB      8.719      1.959   3.37e+08 ga     23056894 
     K25H-I24HD11      8.719      0.985   1.75e+08 ga     14571248 
          K25H-HA      8.718      3.297   2.14e+08 ga     17077290 
         K25H-HB2      8.719      1.546   2.82e+08 ga     18122534 
         K25H-HB3      8.719      1.432   1.36e+08 ga      7506430 
         K25H-HD2      8.719      1.319   3.66e+08 ga     24043884 
         K25H-HG2      8.719      1.084   6.59e+07 ga      4382142 
        K25H-K26H      8.719      8.166   9.68e+07 ga      2310519 
        K25HA-HB2      3.294      1.542   2.56e+08 ga     11491288 
        K25HA-HB3      3.296      1.442   1.27e+08 ga      7486254 
        K25HA-HD2      3.295      1.318   2.86e+08 ga     14090575 
        K25HA-HG2      3.295      1.086   9.19e+07 ga      6286364 
        K25HA-HG3      3.295      0.987   1.46e+08 ga      8421117 
       K26H-Y14HA      8.166      5.152   1.70e+07 ga      1788642 
       K26H-K25HA      8.161      3.300   4.96e+07 ga      3827678 
        K26HA-HB2      4.078      1.722   3.66e+08 ga     17115278 
        K26HA-HD3      4.079      1.488   3.72e+08 ga     13579772 
       K26HB2-HD3      1.716      1.478   3.71e+08 ga     10875867 
       E27HG2-HB2      2.354      2.067   5.77e+08 ga     18408822 
       E27HG2-HB3      2.345      1.902   1.57e+09 ga     54290784 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           HT1      LEU   1  11.667  -6.142  -0.241
    2    H2   LEU   1           HT2      LEU   1  13.226  -6.364  -0.852
    3    H3   LEU   1           HT3      LEU   1  12.197  -5.225  -1.560
    4    HA   LEU   1           HA       LEU   1  13.235  -5.105   1.204
    5    HB2  LEU   1           HB3      LEU   1  15.008  -4.743  -0.431
    6    HB3  LEU   1           HB2      LEU   1  14.029  -3.549  -1.257
    7    HG   LEU   1           HG       LEU   1  14.125  -2.109   0.758
    8   HD11  LEU   1          HD11      LEU   1  14.479  -3.852   2.431
    9   HD12  LEU   1          HD12      LEU   1  15.734  -2.617   2.516
   10   HD13  LEU   1          HD13      LEU   1  16.079  -4.173   1.764
   11   HD21  LEU   1          HD21      LEU   1  16.789  -2.952  -0.372
   12   HD22  LEU   1          HD22      LEU   1  16.465  -1.442   0.478
   13   HD23  LEU   1          HD23      LEU   1  15.686  -1.767  -1.070
   14    H    ASN   2           HN       ASN   2  11.637  -3.266  -1.435
   15    HA   ASN   2           HA       ASN   2  10.553  -1.497   0.645
   16    HB2  ASN   2           HB3      ASN   2  10.221   0.176  -1.055
   17    HB3  ASN   2           HB2      ASN   2  11.867  -0.429  -1.179
   18   HD21  ASN   2          HD21      ASN   2  10.190   0.921  -3.143
   19   HD22  ASN   2          HD22      ASN   2  10.116  -0.137  -4.512
   20    H    ASN   3           HN       ASN   3   9.475  -4.173  -0.112
   21    HA   ASN   3           HA       ASN   3   6.988  -3.753  -1.402
   22    HB2  ASN   3           HB3      ASN   3   8.017  -6.007  -1.105
   23    HB3  ASN   3           HB2      ASN   3   7.652  -5.912   0.614
   24   HD21  ASN   3          HD21      ASN   3   6.317  -7.707   0.548
   25   HD22  ASN   3          HD22      ASN   3   4.753  -7.671  -0.186
   26    HA   PRO   4           HA       PRO   4   5.266  -2.859   3.037
   27    HB2  PRO   4           HB3      PRO   4   7.125  -2.356   4.963
   28    HB3  PRO   4           HB2      PRO   4   6.391  -3.947   4.729
   29    HG2  PRO   4           HG3      PRO   4   9.043  -2.927   3.802
   30    HG3  PRO   4           HG2      PRO   4   8.633  -4.502   4.503
   31    HD2  PRO   4           HD3      PRO   4   8.971  -4.145   1.847
   32    HD3  PRO   4           HD2      PRO   4   7.816  -5.317   2.511
   33    H    CYS   5           HN       CYS   5   4.758  -0.750   3.444
   34    HA   CYS   5           HA       CYS   5   5.837   1.197   1.757
   35    HB2  CYS   5           HB3      CYS   5   4.249   1.776   4.251
   36    HB3  CYS   5           HB2      CYS   5   4.294   2.702   2.754
   37    H    ASN   6           HN       ASN   6   7.244   2.861   2.044
   38    HA   ASN   6           HA       ASN   6   9.213   2.447   4.119
   39    HB2  ASN   6           HB3      ASN   6   9.137   4.355   1.775
   40    HB3  ASN   6           HB2      ASN   6  10.500   4.192   2.877
   41   HD21  ASN   6          HD21      ASN   6  11.838   2.436   2.714
   42   HD22  ASN   6          HD22      ASN   6  11.752   1.304   1.412
   43    H    GLY   7           HN       GLY   7   6.442   3.855   4.447
   44    HA2  GLY   7           HA3      GLY   7   7.473   5.829   6.327
   45    HA3  GLY   7           HA2      GLY   7   6.415   6.433   5.060
   46    H    VAL   8           HN       VAL   8   4.264   5.461   4.907
   47    HA   VAL   8           HA       VAL   8   3.052   5.231   7.502
   48    HB   VAL   8           HB       VAL   8   1.990   6.383   5.535
   49   HG11  VAL   8          HG11      VAL   8   1.532   3.596   4.572
   50   HG12  VAL   8          HG12      VAL   8   2.537   4.812   3.801
   51   HG13  VAL   8          HG13      VAL   8   0.791   5.038   3.894
   52   HG21  VAL   8          HG21      VAL   8   0.385   4.198   6.841
   53   HG22  VAL   8          HG22      VAL   8  -0.292   5.593   6.002
   54   HG23  VAL   8          HG23      VAL   8   0.655   5.824   7.471
   55    H    THR   9           HN       THR   9   1.680   3.387   8.143
   56    HA   THR   9           HA       THR   9   2.795   0.850   7.179
   57    HB   THR   9           HB       THR   9   1.150   1.365   9.665
   58    HG1  THR   9           HG1      THR   9   3.543   2.150   9.316
   59   HG21  THR   9          HG21      THR   9   0.987  -0.936   8.854
   60   HG22  THR   9          HG22      THR   9   1.919  -0.860  10.348
   61   HG23  THR   9          HG23      THR   9   2.746  -1.051   8.802
   62    H    CYS  10           HN       CYS  10   1.627  -0.201   5.703
   63    HA   CYS  10           HA       CYS  10  -1.177   0.330   5.371
   64    HB2  CYS  10           HB3      CYS  10   0.845  -1.327   3.934
   65    HB3  CYS  10           HB2      CYS  10  -0.856  -1.727   3.722
   66    HA   PRO  11           HA       PRO  11  -2.669  -2.480   8.407
   67    HB2  PRO  11           HB3      PRO  11  -5.180  -2.763   7.295
   68    HB3  PRO  11           HB2      PRO  11  -4.683  -1.433   8.344
   69    HG2  PRO  11           HG3      PRO  11  -4.808  -1.547   5.351
   70    HG3  PRO  11           HG2      PRO  11  -5.303  -0.239   6.448
   71    HD2  PRO  11           HD3      PRO  11  -3.011  -0.116   5.115
   72    HD3  PRO  11           HD2      PRO  11  -3.109   0.447   6.797
   73    H    SER  12           HN       SER  12  -2.800  -3.217   4.997
   74    HA   SER  12           HA       SER  12  -2.697  -6.066   5.679
   75    HB2  SER  12           HB3      SER  12  -4.976  -5.445   4.858
   76    HB3  SER  12           HB2      SER  12  -4.246  -4.905   3.347
   77    HG   SER  12           HG       SER  12  -5.132  -7.242   3.752
   78    H    GLY  13           HN       GLY  13  -1.856  -7.337   3.734
   79    HA2  GLY  13           HA3      GLY  13   0.648  -6.035   3.054
   80    HA3  GLY  13           HA2      GLY  13   0.287  -7.747   2.907
   81    H    TYR  14           HN       TYR  14  -1.312  -4.864   1.590
   82    HA   TYR  14           HA       TYR  14  -1.079  -6.059  -1.059
   83    HB2  TYR  14           HB3      TYR  14  -2.526  -3.945  -1.639
   84    HB3  TYR  14           HB2      TYR  14  -3.228  -5.411  -1.000
   85    HD1  TYR  14           HD2      TYR  14  -1.504  -2.525   0.669
   86    HD2  TYR  14           HD1      TYR  14  -5.021  -4.884   0.286
   87    HE1  TYR  14           HE2      TYR  14  -2.574  -1.241   2.473
   88    HE2  TYR  14           HE1      TYR  14  -6.090  -3.587   2.073
   89    HH   TYR  14           HH       TYR  14  -5.548  -2.200   3.905
   90    H    ARG  15           HN       ARG  15  -1.390  -2.750  -1.383
   91    HA   ARG  15           HA       ARG  15   1.499  -2.470  -1.760
   92    HB2  ARG  15           HB3      ARG  15   1.048  -1.341  -3.961
   93    HB3  ARG  15           HB2      ARG  15   0.776  -3.077  -3.937
   94    HG2  ARG  15           HG2      ARG  15  -1.621  -2.703  -3.734
   95    HG3  ARG  15           HG1      ARG  15  -1.350  -0.960  -3.738
   96    HD2  ARG  15           HD3      ARG  15  -0.619  -2.850  -5.970
   97    HD3  ARG  15           HD2      ARG  15  -2.036  -1.801  -5.942
   98    HE   ARG  15           HE       ARG  15   0.073  -0.117  -5.538
   99   HH11  ARG  15          HH11      ARG  15  -0.774  -2.450  -8.005
  100   HH12  ARG  15          HH12      ARG  15   0.015  -1.579  -9.279
  101   HH21  ARG  15          HH21      ARG  15   1.122   1.026  -7.210
  102   HH22  ARG  15          HH22      ARG  15   1.097   0.395  -8.827
  103    H    CYS  16           HN       CYS  16   2.161  -0.225  -2.116
  104    HA   CYS  16           HA       CYS  16   0.638   1.442  -0.251
  105    HB2  CYS  16           HB3      CYS  16   3.512   1.813  -1.120
  106    HB3  CYS  16           HB2      CYS  16   2.711   2.515   0.282
  107    H    SER  17           HN       SER  17  -0.769   2.495  -1.544
  108    HA   SER  17           HA       SER  17  -0.011   3.583  -4.091
  109    HB2  SER  17           HB3      SER  17  -2.370   4.572  -3.907
  110    HB3  SER  17           HB2      SER  17  -2.232   2.812  -3.947
  111    HG   SER  17           HG       SER  17  -2.254   4.201  -1.492
  112    H    ILE  18           HN       ILE  18   1.765   4.664  -2.492
  113    HA   ILE  18           HA       ILE  18   1.033   6.881  -0.924
  114    HB   ILE  18           HB       ILE  18   3.696   6.381  -2.265
  115   HG12  ILE  18          HG12      ILE  18   3.028   4.434  -0.969
  116   HG13  ILE  18          HG11      ILE  18   4.320   5.287  -0.131
  117   HG21  ILE  18          HG21      ILE  18   2.996   8.005   0.180
  118   HG22  ILE  18          HG22      ILE  18   3.498   8.641  -1.387
  119   HG23  ILE  18          HG23      ILE  18   4.627   7.695  -0.417
  120   HD11  ILE  18          HD11      ILE  18   2.653   6.306   1.356
  121   HD12  ILE  18          HD12      ILE  18   2.645   4.545   1.435
  122   HD13  ILE  18          HD13      ILE  18   1.387   5.392   0.535
  123    H    VAL  19           HN       VAL  19   1.301   6.525  -4.303
  124    HA   VAL  19           HA       VAL  19   1.821   9.281  -4.892
  125    HB   VAL  19           HB       VAL  19   1.357   8.681  -7.206
  126   HG11  VAL  19          HG11      VAL  19   3.031   6.656  -5.733
  127   HG12  VAL  19          HG12      VAL  19   3.567   8.239  -6.312
  128   HG13  VAL  19          HG13      VAL  19   3.123   6.981  -7.467
  129   HG21  VAL  19          HG21      VAL  19   0.541   6.007  -6.090
  130   HG22  VAL  19          HG22      VAL  19   0.835   6.330  -7.797
  131   HG23  VAL  19          HG23      VAL  19  -0.483   7.148  -6.958
  132    H    ASP  20           HN       ASP  20  -0.954   7.208  -4.652
  133    HA   ASP  20           HA       ASP  20  -2.818   9.285  -5.460
  134    HB2  ASP  20           HB3      ASP  20  -3.159   7.015  -6.282
  135    HB3  ASP  20           HB2      ASP  20  -3.232   6.404  -4.631
  136    H    LYS  21           HN       LYS  21  -2.158   7.263  -2.640
  137    HA   LYS  21           HA       LYS  21  -2.937   9.313  -0.795
  138    HB2  LYS  21           HB3      LYS  21  -4.666   7.814   0.330
  139    HB3  LYS  21           HB2      LYS  21  -5.160   8.589  -1.165
  140    HG2  LYS  21           HG3      LYS  21  -4.852   6.546  -2.389
  141    HG3  LYS  21           HG2      LYS  21  -4.184   5.749  -0.963
  142    HD2  LYS  21           HD3      LYS  21  -6.270   5.799   0.154
  143    HD3  LYS  21           HD2      LYS  21  -6.951   6.929  -1.017
  144    HE2  LYS  21           HE3      LYS  21  -6.029   4.171  -1.775
  145    HE3  LYS  21           HE2      LYS  21  -7.669   4.498  -1.216
  146    HZ1  LYS  21           HZ1      LYS  21  -8.034   5.938  -3.054
  147    HZ2  LYS  21           HZ2      LYS  21  -7.392   4.500  -3.669
  148    HZ3  LYS  21           HZ3      LYS  21  -6.410   5.874  -3.532
  149    H    GLN  22           HN       GLN  22  -3.515   6.937   1.163
  150    HA   GLN  22           HA       GLN  22  -0.701   6.346   1.652
  151    HB2  GLN  22           HB3      GLN  22  -2.981   5.411   3.378
  152    HB3  GLN  22           HB2      GLN  22  -1.308   5.686   3.830
  153    HG2  GLN  22           HG2      GLN  22  -3.327   7.790   3.118
  154    HG3  GLN  22           HG1      GLN  22  -2.754   7.399   4.736
  155   HE21  GLN  22          HE21      GLN  22   0.006   7.028   3.883
  156   HE22  GLN  22          HE22      GLN  22   0.637   8.605   3.570
  157    H    CYS  23           HN       CYS  23  -3.565   4.315   2.099
  158    HA   CYS  23           HA       CYS  23  -2.172   2.164   0.630
  159    HB2  CYS  23           HB3      CYS  23  -3.933   1.884   3.074
  160    HB3  CYS  23           HB2      CYS  23  -3.197   0.559   2.186
  161    H    ILE  24           HN       ILE  24  -3.417   0.848  -0.695
  162    HA   ILE  24           HA       ILE  24  -5.764   2.162  -1.695
  163    HB   ILE  24           HB       ILE  24  -5.740  -0.020  -3.206
  164   HG12  ILE  24          HG12      ILE  24  -3.293  -0.470  -3.763
  165   HG13  ILE  24          HG11      ILE  24  -2.902   0.178  -2.187
  166   HG21  ILE  24          HG21      ILE  24  -4.309   1.276  -4.790
  167   HG22  ILE  24          HG22      ILE  24  -4.046   2.434  -3.485
  168   HG23  ILE  24          HG23      ILE  24  -5.672   2.156  -4.101
  169   HD11  ILE  24          HD11      ILE  24  -4.106  -1.530  -1.099
  170   HD12  ILE  24          HD12      ILE  24  -3.067  -2.282  -2.305
  171   HD13  ILE  24          HD13      ILE  24  -4.792  -2.098  -2.618
  172    H    LYS  25           HN       LYS  25  -5.304  -0.296   0.556
  173    HA   LYS  25           HA       LYS  25  -6.604  -1.827   1.564
  174    HB2  LYS  25           HB3      LYS  25  -8.504   0.313   0.813
  175    HB3  LYS  25           HB2      LYS  25  -9.167  -1.199   1.387
  176    HG2  LYS  25           HG3      LYS  25  -9.020   0.207   3.264
  177    HG3  LYS  25           HG2      LYS  25  -7.697  -0.947   3.415
  178    HD2  LYS  25           HD3      LYS  25  -6.122   0.706   2.612
  179    HD3  LYS  25           HD2      LYS  25  -7.432   1.858   2.332
  180    HE2  LYS  25           HE3      LYS  25  -7.963   1.725   4.768
  181    HE3  LYS  25           HE2      LYS  25  -6.521   0.738   4.978
  182    HZ1  LYS  25           HZ1      LYS  25  -6.539   3.508   3.912
  183    HZ2  LYS  25           HZ2      LYS  25  -5.171   2.568   4.230
  184    HZ3  LYS  25           HZ3      LYS  25  -6.150   3.086   5.501
  185    H    LYS  26           HN       LYS  26  -5.962  -2.335  -1.262
  186    HA   LYS  26           HA       LYS  26  -8.366  -3.679  -2.224
  187    HB2  LYS  26           HB3      LYS  26  -6.900  -2.339  -3.781
  188    HB3  LYS  26           HB2      LYS  26  -5.659  -3.564  -3.564
  189    HG2  LYS  26           HG3      LYS  26  -8.399  -4.307  -4.517
  190    HG3  LYS  26           HG2      LYS  26  -7.179  -3.696  -5.633
  191    HD2  LYS  26           HD3      LYS  26  -5.716  -5.512  -5.150
  192    HD3  LYS  26           HD2      LYS  26  -6.712  -6.020  -3.784
  193    HE2  LYS  26           HE3      LYS  26  -7.753  -5.981  -6.604
  194    HE3  LYS  26           HE2      LYS  26  -6.905  -7.375  -5.936
  195    HZ1  LYS  26           HZ1      LYS  26  -9.403  -6.172  -4.874
  196    HZ2  LYS  26           HZ2      LYS  26  -8.568  -7.466  -4.161
  197    HZ3  LYS  26           HZ3      LYS  26  -9.267  -7.647  -5.692
  198    H    GLU  27           HN       GLU  27  -8.758  -5.513  -1.245
  199    HA   GLU  27           HA       GLU  27  -6.572  -7.464  -1.022
  200    HB2  GLU  27           HB3      GLU  27  -8.924  -7.132   0.854
  201    HB3  GLU  27           HB2      GLU  27  -7.701  -8.385   0.968
  202    HG2  GLU  27           HG3      GLU  27  -6.010  -6.715   1.387
  203    HG3  GLU  27           HG2      GLU  27  -7.207  -5.433   1.235
  Start of MODEL    2
    1    H1   LEU   1           HT1      LEU   1  -0.204  -9.921  -5.038
    2    H2   LEU   1           HT2      LEU   1   0.709 -11.037  -4.154
    3    H3   LEU   1           HT3      LEU   1   1.418  -9.599  -4.685
    4    HA   LEU   1           HA       LEU   1  -0.050  -8.319  -3.267
    5    HB2  LEU   1           HB3      LEU   1  -0.934 -11.064  -2.365
    6    HB3  LEU   1           HB2      LEU   1  -1.333  -9.574  -1.535
    7    HG   LEU   1           HG       LEU   1  -2.172 -10.240  -4.359
    8   HD11  LEU   1          HD11      LEU   1  -4.409 -10.532  -3.392
    9   HD12  LEU   1          HD12      LEU   1  -3.722 -10.342  -1.779
   10   HD13  LEU   1          HD13      LEU   1  -3.257 -11.718  -2.778
   11   HD21  LEU   1          HD21      LEU   1  -1.972  -7.845  -3.955
   12   HD22  LEU   1          HD22      LEU   1  -2.975  -7.995  -2.512
   13   HD23  LEU   1          HD23      LEU   1  -3.664  -8.318  -4.102
   14    H    ASN   2           HN       ASN   2   0.039  -8.856  -0.580
   15    HA   ASN   2           HA       ASN   2   1.438  -8.857   1.203
   16    HB2  ASN   2           HB3      ASN   2   1.509 -11.307   0.571
   17    HB3  ASN   2           HB2      ASN   2   3.018 -10.975  -0.270
   18   HD21  ASN   2          HD21      ASN   2   4.879 -10.547   0.929
   19   HD22  ASN   2          HD22      ASN   2   4.970 -10.858   2.630
   20    H    ASN   3           HN       ASN   3   1.961  -6.703   0.039
   21    HA   ASN   3           HA       ASN   3   4.805  -6.620  -0.687
   22    HB2  ASN   3           HB3      ASN   3   3.155  -5.628  -2.282
   23    HB3  ASN   3           HB2      ASN   3   2.709  -4.465  -1.041
   24   HD21  ASN   3          HD21      ASN   3   3.845  -4.077  -3.707
   25   HD22  ASN   3          HD22      ASN   3   5.288  -3.156  -3.465
   26    HA   PRO   4           HA       PRO   4   5.219  -4.895   3.481
   27    HB2  PRO   4           HB3      PRO   4   8.058  -5.400   3.117
   28    HB3  PRO   4           HB2      PRO   4   6.943  -6.139   4.266
   29    HG2  PRO   4           HG3      PRO   4   8.043  -7.496   2.181
   30    HG3  PRO   4           HG2      PRO   4   6.457  -7.890   2.869
   31    HD2  PRO   4           HD3      PRO   4   7.119  -6.342   0.392
   32    HD3  PRO   4           HD2      PRO   4   5.840  -7.547   0.664
   33    H    CYS   5           HN       CYS   5   4.690  -2.959   1.980
   34    HA   CYS   5           HA       CYS   5   7.036  -1.344   1.359
   35    HB2  CYS   5           HB3      CYS   5   5.275  -1.434  -0.328
   36    HB3  CYS   5           HB2      CYS   5   4.093  -0.866   0.845
   37    H    ASN   6           HN       ASN   6   7.424   0.679   2.297
   38    HA   ASN   6           HA       ASN   6   6.179   0.981   4.929
   39    HB2  ASN   6           HB3      ASN   6   8.090   2.342   5.543
   40    HB3  ASN   6           HB2      ASN   6   8.648   0.825   4.850
   41   HD21  ASN   6          HD21      ASN   6   9.637   0.833   2.830
   42   HD22  ASN   6          HD22      ASN   6  10.246   2.284   2.118
   43    H    GLY   7           HN       GLY   7   5.056   2.721   5.519
   44    HA2  GLY   7           HA3      GLY   7   5.091   5.183   4.024
   45    HA3  GLY   7           HA2      GLY   7   3.600   4.265   3.838
   46    H    VAL   8           HN       VAL   8   2.337   5.809   4.927
   47    HA   VAL   8           HA       VAL   8   2.959   6.552   7.605
   48    HB   VAL   8           HB       VAL   8   1.627   8.074   6.307
   49   HG11  VAL   8          HG11      VAL   8   0.526   6.299   4.908
   50   HG12  VAL   8          HG12      VAL   8  -0.516   7.626   5.418
   51   HG13  VAL   8          HG13      VAL   8  -0.609   6.069   6.238
   52   HG21  VAL   8          HG21      VAL   8   1.236   8.107   8.690
   53   HG22  VAL   8          HG22      VAL   8   0.006   6.854   8.532
   54   HG23  VAL   8          HG23      VAL   8  -0.265   8.449   7.830
   55    H    THR   9           HN       THR   9   0.281   4.599   6.357
   56    HA   THR   9           HA       THR   9   0.747   2.561   8.329
   57    HB   THR   9           HB       THR   9  -1.909   4.019   8.404
   58    HG1  THR   9           HG1      THR   9  -0.583   5.278   9.612
   59   HG21  THR   9          HG21      THR   9  -1.836   1.502   8.792
   60   HG22  THR   9          HG22      THR   9  -2.565   2.478  10.069
   61   HG23  THR   9          HG23      THR   9  -0.923   1.862  10.258
   62    H    CYS  10           HN       CYS  10   1.097   1.502   6.286
   63    HA   CYS  10           HA       CYS  10  -1.430   0.445   5.200
   64    HB2  CYS  10           HB3      CYS  10   1.190   0.800   3.711
   65    HB3  CYS  10           HB2      CYS  10  -0.228  -0.029   3.070
   66    HA   PRO  11           HA       PRO  11   0.398  -3.306   6.814
   67    HB2  PRO  11           HB3      PRO  11  -1.591  -4.989   6.200
   68    HB3  PRO  11           HB2      PRO  11  -1.771  -3.796   7.493
   69    HG2  PRO  11           HG3      PRO  11  -2.726  -3.668   4.656
   70    HG3  PRO  11           HG2      PRO  11  -3.608  -3.273   6.148
   71    HD2  PRO  11           HD3      PRO  11  -2.442  -1.376   4.582
   72    HD3  PRO  11           HD2      PRO  11  -2.605  -1.202   6.341
   73    H    SER  12           HN       SER  12   0.859  -5.499   5.891
   74    HA   SER  12           HA       SER  12   1.869  -5.051   3.192
   75    HB2  SER  12           HB3      SER  12   2.650  -7.178   5.194
   76    HB3  SER  12           HB2      SER  12   3.475  -6.827   3.677
   77    HG   SER  12           HG       SER  12   3.399  -4.544   4.888
   78    H    GLY  13           HN       GLY  13  -0.800  -5.627   3.488
   79    HA2  GLY  13           HA3      GLY  13  -1.149  -8.406   2.664
   80    HA3  GLY  13           HA2      GLY  13  -2.433  -7.243   2.964
   81    H    TYR  14           HN       TYR  14  -1.852  -5.156   1.399
   82    HA   TYR  14           HA       TYR  14  -2.000  -6.333  -1.284
   83    HB2  TYR  14           HB3      TYR  14  -2.990  -3.919  -1.719
   84    HB3  TYR  14           HB2      TYR  14  -3.973  -5.250  -1.147
   85    HD1  TYR  14           HD2      TYR  14  -1.746  -2.677   0.448
   86    HD2  TYR  14           HD1      TYR  14  -5.510  -4.653   0.447
   87    HE1  TYR  14           HE2      TYR  14  -2.467  -1.306   2.332
   88    HE2  TYR  14           HE1      TYR  14  -6.228  -3.263   2.344
   89    HH   TYR  14           HH       TYR  14  -5.213  -1.982   4.182
   90    H    ARG  15           HN       ARG  15  -1.596  -2.948  -1.108
   91    HA   ARG  15           HA       ARG  15   1.279  -3.015  -1.312
   92    HB2  ARG  15           HB3      ARG  15   1.387  -2.001  -3.509
   93    HB3  ARG  15           HB2      ARG  15   0.511  -3.518  -3.629
   94    HG2  ARG  15           HG2      ARG  15  -1.601  -2.304  -3.676
   95    HG3  ARG  15           HG1      ARG  15  -0.731  -0.775  -3.525
   96    HD2  ARG  15           HD3      ARG  15  -1.344  -1.212  -5.845
   97    HD3  ARG  15           HD2      ARG  15   0.408  -1.215  -5.640
   98    HE   ARG  15           HE       ARG  15  -0.799  -3.815  -5.438
   99   HH11  ARG  15          HH11      ARG  15   0.577  -1.440  -7.603
  100   HH12  ARG  15          HH12      ARG  15   0.956  -2.600  -8.837
  101   HH21  ARG  15          HH21      ARG  15  -0.290  -5.346  -7.051
  102   HH22  ARG  15          HH22      ARG  15   0.474  -4.823  -8.519
  103    H    CYS  16           HN       CYS  16   2.038  -0.665  -1.691
  104    HA   CYS  16           HA       CYS  16   0.346   0.987   0.032
  105    HB2  CYS  16           HB3      CYS  16   2.353   2.296   0.484
  106    HB3  CYS  16           HB2      CYS  16   2.686   0.594   0.764
  107    H    SER  17           HN       SER  17  -0.690   2.668  -0.776
  108    HA   SER  17           HA       SER  17  -0.148   3.402  -3.561
  109    HB2  SER  17           HB3      SER  17  -2.451   2.611  -2.843
  110    HB3  SER  17           HB2      SER  17  -2.585   4.099  -1.910
  111    HG   SER  17           HG       SER  17  -2.903   5.190  -3.686
  112    H    ILE  18           HN       ILE  18   1.652   4.349  -1.730
  113    HA   ILE  18           HA       ILE  18   0.960   6.681  -0.318
  114    HB   ILE  18           HB       ILE  18   3.712   5.930  -1.312
  115   HG12  ILE  18          HG12      ILE  18   2.705   4.031  -0.155
  116   HG13  ILE  18          HG11      ILE  18   3.993   4.731   0.815
  117   HG21  ILE  18          HG21      ILE  18   2.842   7.562   1.066
  118   HG22  ILE  18          HG22      ILE  18   3.573   8.184  -0.412
  119   HG23  ILE  18          HG23      ILE  18   4.505   7.140   0.659
  120   HD11  ILE  18          HD11      ILE  18   2.085   4.113   2.183
  121   HD12  ILE  18          HD12      ILE  18   1.043   5.164   1.224
  122   HD13  ILE  18          HD13      ILE  18   2.335   5.859   2.202
  123    H    VAL  19           HN       VAL  19   1.716   6.170  -3.620
  124    HA   VAL  19           HA       VAL  19   2.562   8.850  -4.182
  125    HB   VAL  19           HB       VAL  19   2.331   8.191  -6.558
  126   HG11  VAL  19          HG11      VAL  19   3.805   6.228  -4.810
  127   HG12  VAL  19          HG12      VAL  19   4.420   7.777  -5.393
  128   HG13  VAL  19          HG13      VAL  19   4.094   6.472  -6.534
  129   HG21  VAL  19          HG21      VAL  19   1.448   5.526  -5.468
  130   HG22  VAL  19          HG22      VAL  19   1.787   5.897  -7.157
  131   HG23  VAL  19          HG23      VAL  19   0.427   6.668  -6.341
  132    H    ASP  20           HN       ASP  20  -0.422   7.055  -4.352
  133    HA   ASP  20           HA       ASP  20  -1.864   9.292  -5.526
  134    HB2  ASP  20           HB3      ASP  20  -2.425   7.193  -6.476
  135    HB3  ASP  20           HB2      ASP  20  -2.602   6.441  -4.896
  136    H    LYS  21           HN       LYS  21  -1.895   7.356  -2.562
  137    HA   LYS  21           HA       LYS  21  -2.926   9.522  -0.998
  138    HB2  LYS  21           HB3      LYS  21  -4.961   8.228  -0.233
  139    HB3  LYS  21           HB2      LYS  21  -5.055   8.879  -1.858
  140    HG2  LYS  21           HG3      LYS  21  -4.696   6.733  -2.825
  141    HG3  LYS  21           HG2      LYS  21  -4.298   6.032  -1.254
  142    HD2  LYS  21           HD3      LYS  21  -6.528   6.234  -0.492
  143    HD3  LYS  21           HD2      LYS  21  -6.969   7.284  -1.837
  144    HE2  LYS  21           HE3      LYS  21  -6.063   4.446  -2.238
  145    HE3  LYS  21           HE2      LYS  21  -7.750   4.862  -1.945
  146    HZ1  LYS  21           HZ1      LYS  21  -7.787   6.181  -3.916
  147    HZ2  LYS  21           HZ2      LYS  21  -7.170   4.661  -4.323
  148    HZ3  LYS  21           HZ3      LYS  21  -6.122   5.986  -4.164
  149    H    GLN  22           HN       GLN  22  -4.014   7.604   1.033
  150    HA   GLN  22           HA       GLN  22  -1.660   6.779   2.304
  151    HB2  GLN  22           HB3      GLN  22  -3.961   7.292   3.297
  152    HB3  GLN  22           HB2      GLN  22  -4.412   5.666   2.808
  153    HG2  GLN  22           HG2      GLN  22  -2.493   4.818   4.132
  154    HG3  GLN  22           HG1      GLN  22  -2.262   6.469   4.696
  155   HE21  GLN  22          HE21      GLN  22  -3.733   7.365   6.134
  156   HE22  GLN  22          HE22      GLN  22  -4.893   6.406   6.986
  157    H    CYS  23           HN       CYS  23  -4.249   4.477   1.675
  158    HA   CYS  23           HA       CYS  23  -2.371   2.681   0.333
  159    HB2  CYS  23           HB3      CYS  23  -4.371   1.624   2.315
  160    HB3  CYS  23           HB2      CYS  23  -2.892   0.877   1.734
  161    H    ILE  24           HN       ILE  24  -3.746   0.787  -0.601
  162    HA   ILE  24           HA       ILE  24  -5.941   2.113  -1.998
  163    HB   ILE  24           HB       ILE  24  -5.668  -0.253  -3.293
  164   HG12  ILE  24          HG12      ILE  24  -3.125  -0.392  -3.634
  165   HG13  ILE  24          HG11      ILE  24  -3.000   0.490  -2.124
  166   HG21  ILE  24          HG21      ILE  24  -4.392   1.051  -4.973
  167   HG22  ILE  24          HG22      ILE  24  -4.222   2.342  -3.785
  168   HG23  ILE  24          HG23      ILE  24  -5.822   1.887  -4.368
  169   HD11  ILE  24          HD11      ILE  24  -4.269  -1.281  -1.021
  170   HD12  ILE  24          HD12      ILE  24  -2.772  -1.861  -1.749
  171   HD13  ILE  24          HD13      ILE  24  -4.315  -2.170  -2.543
  172    H    LYS  25           HN       LYS  25  -5.523  -0.172   0.457
  173    HA   LYS  25           HA       LYS  25  -6.891  -1.609   1.542
  174    HB2  LYS  25           HB3      LYS  25  -8.587   0.570   0.592
  175    HB3  LYS  25           HB2      LYS  25  -9.457  -0.888   0.994
  176    HG2  LYS  25           HG3      LYS  25  -9.425   0.558   2.898
  177    HG3  LYS  25           HG2      LYS  25  -8.413  -0.844   3.230
  178    HD2  LYS  25           HD3      LYS  25  -6.416   0.459   2.753
  179    HD3  LYS  25           HD2      LYS  25  -7.412   1.858   2.339
  180    HE2  LYS  25           HE3      LYS  25  -8.302   1.883   4.627
  181    HE3  LYS  25           HE2      LYS  25  -7.277   0.507   5.033
  182    HZ1  LYS  25           HZ1      LYS  25  -6.306   3.175   4.169
  183    HZ2  LYS  25           HZ2      LYS  25  -5.337   1.860   4.598
  184    HZ3  LYS  25           HZ3      LYS  25  -6.313   2.603   5.758
  185    H    LYS  26           HN       LYS  26  -6.077  -2.360  -1.129
  186    HA   LYS  26           HA       LYS  26  -8.331  -3.563  -2.449
  187    HB2  LYS  26           HB3      LYS  26  -6.332  -2.687  -3.660
  188    HB3  LYS  26           HB2      LYS  26  -5.368  -3.959  -2.927
  189    HG2  LYS  26           HG3      LYS  26  -5.896  -4.621  -5.145
  190    HG3  LYS  26           HG2      LYS  26  -6.839  -5.627  -4.044
  191    HD2  LYS  26           HD3      LYS  26  -8.800  -4.232  -4.429
  192    HD3  LYS  26           HD2      LYS  26  -7.860  -3.186  -5.495
  193    HE2  LYS  26           HE3      LYS  26  -8.438  -6.111  -5.939
  194    HE3  LYS  26           HE2      LYS  26  -9.214  -4.767  -6.772
  195    HZ1  LYS  26           HZ1      LYS  26  -7.478  -5.711  -8.127
  196    HZ2  LYS  26           HZ2      LYS  26  -6.336  -5.480  -6.907
  197    HZ3  LYS  26           HZ3      LYS  26  -7.040  -4.144  -7.667
  198    H    GLU  27           HN       GLU  27  -9.098  -4.849  -0.659
  199    HA   GLU  27           HA       GLU  27  -7.474  -7.241  -0.149
  200    HB2  GLU  27           HB3      GLU  27  -8.987  -7.559   1.836
  201    HB3  GLU  27           HB2      GLU  27  -7.944  -6.152   1.910
  202    HG2  GLU  27           HG3      GLU  27  -9.873  -4.778   1.134
  203    HG3  GLU  27           HG2      GLU  27 -10.875  -6.214   1.297
  Start of MODEL    3
    1    H1   LEU   1           HT1      LEU   1   1.120 -11.282  -1.922
    2    H2   LEU   1           HT2      LEU   1  -0.408 -10.708  -2.351
    3    H3   LEU   1           HT3      LEU   1   0.276 -10.271  -0.869
    4    HA   LEU   1           HA       LEU   1   1.360  -9.540  -3.516
    5    HB2  LEU   1           HB3      LEU   1  -0.137  -7.885  -1.479
    6    HB3  LEU   1           HB2      LEU   1   0.637  -7.248  -2.916
    7    HG   LEU   1           HG       LEU   1  -1.681  -9.185  -2.895
    8   HD11  LEU   1          HD11      LEU   1  -2.974  -7.295  -3.752
    9   HD12  LEU   1          HD12      LEU   1  -1.572  -6.245  -3.540
   10   HD13  LEU   1          HD13      LEU   1  -2.345  -6.981  -2.136
   11   HD21  LEU   1          HD21      LEU   1  -0.238  -9.495  -4.833
   12   HD22  LEU   1          HD22      LEU   1  -0.314  -7.768  -5.178
   13   HD23  LEU   1          HD23      LEU   1  -1.768  -8.755  -5.300
   14    H    ASN   2           HN       ASN   2   3.268  -8.387  -3.469
   15    HA   ASN   2           HA       ASN   2   4.527  -8.039  -0.828
   16    HB2  ASN   2           HB3      ASN   2   5.825  -9.119  -3.340
   17    HB3  ASN   2           HB2      ASN   2   6.707  -8.655  -1.891
   18   HD21  ASN   2          HD21      ASN   2   6.573  -9.943  -0.061
   19   HD22  ASN   2          HD22      ASN   2   5.964 -11.560  -0.120
   20    H    ASN   3           HN       ASN   3   3.939  -5.823  -0.924
   21    HA   ASN   3           HA       ASN   3   5.648  -4.288  -2.761
   22    HB2  ASN   3           HB3      ASN   3   2.804  -3.667  -1.954
   23    HB3  ASN   3           HB2      ASN   3   3.869  -2.500  -2.728
   24   HD21  ASN   3          HD21      ASN   3   4.467  -2.812  -4.882
   25   HD22  ASN   3          HD22      ASN   3   3.588  -3.876  -5.924
   26    HA   PRO   4           HA       PRO   4   6.540  -3.060   1.578
   27    HB2  PRO   4           HB3      PRO   4   9.197  -3.391   1.515
   28    HB3  PRO   4           HB2      PRO   4   8.102  -4.761   1.738
   29    HG2  PRO   4           HG3      PRO   4   9.541  -3.864  -0.723
   30    HG3  PRO   4           HG2      PRO   4   9.267  -5.508  -0.121
   31    HD2  PRO   4           HD3      PRO   4   7.778  -4.293  -2.104
   32    HD3  PRO   4           HD2      PRO   4   7.214  -5.645  -1.103
   33    H    CYS   5           HN       CYS   5   5.929  -0.916   1.032
   34    HA   CYS   5           HA       CYS   5   7.670   0.773  -0.488
   35    HB2  CYS   5           HB3      CYS   5   6.194   2.609   0.355
   36    HB3  CYS   5           HB2      CYS   5   5.331   1.301  -0.443
   37    H    ASN   6           HN       ASN   6   7.305  -0.113   2.823
   38    HA   ASN   6           HA       ASN   6   8.690   0.047   4.601
   39    HB2  ASN   6           HB3      ASN   6  10.662   0.946   2.496
   40    HB3  ASN   6           HB2      ASN   6  11.093   0.600   4.167
   41   HD21  ASN   6          HD21      ASN   6  11.939  -0.670   1.662
   42   HD22  ASN   6          HD22      ASN   6  11.564  -2.350   1.841
   43    H    GLY   7           HN       GLY   7   7.040   2.333   3.763
   44    HA2  GLY   7           HA3      GLY   7   8.425   4.353   5.397
   45    HA3  GLY   7           HA2      GLY   7   7.639   4.822   3.897
   46    H    VAL   8           HN       VAL   8   5.293   4.004   3.755
   47    HA   VAL   8           HA       VAL   8   3.937   4.779   6.214
   48    HB   VAL   8           HB       VAL   8   2.801   4.161   3.475
   49   HG11  VAL   8          HG11      VAL   8   1.160   3.787   5.242
   50   HG12  VAL   8          HG12      VAL   8   0.754   5.220   4.300
   51   HG13  VAL   8          HG13      VAL   8   1.484   5.394   5.896
   52   HG21  VAL   8          HG21      VAL   8   3.322   6.805   4.833
   53   HG22  VAL   8          HG22      VAL   8   2.529   6.584   3.273
   54   HG23  VAL   8          HG23      VAL   8   4.225   6.141   3.472
   55    H    THR   9           HN       THR   9   2.782   3.412   7.481
   56    HA   THR   9           HA       THR   9   3.102   0.570   6.969
   57    HB   THR   9           HB       THR   9   1.811   1.852   9.376
   58    HG1  THR   9           HG1      THR   9   4.472   1.744   8.592
   59   HG21  THR   9          HG21      THR   9   1.459  -0.562   9.111
   60   HG22  THR   9          HG22      THR   9   2.496  -0.215  10.494
   61   HG23  THR   9          HG23      THR   9   3.202  -0.801   8.990
   62    H    CYS  10           HN       CYS  10   1.639  -0.200   5.580
   63    HA   CYS  10           HA       CYS  10  -1.095   0.688   5.573
   64    HB2  CYS  10           HB3      CYS  10   0.476  -1.325   3.996
   65    HB3  CYS  10           HB2      CYS  10  -1.280  -1.300   3.904
   66    HA   PRO  11           HA       PRO  11  -2.799  -1.983   8.637
   67    HB2  PRO  11           HB3      PRO  11  -5.283  -2.308   7.468
   68    HB3  PRO  11           HB2      PRO  11  -4.801  -0.905   8.428
   69    HG2  PRO  11           HG3      PRO  11  -4.802  -1.248   5.442
   70    HG3  PRO  11           HG2      PRO  11  -5.360   0.135   6.414
   71    HD2  PRO  11           HD3      PRO  11  -3.004   0.206   5.205
   72    HD3  PRO  11           HD2      PRO  11  -3.178   0.843   6.854
   73    H    SER  12           HN       SER  12  -2.769  -2.865   5.274
   74    HA   SER  12           HA       SER  12  -2.590  -5.676   6.053
   75    HB2  SER  12           HB3      SER  12  -4.243  -4.651   3.726
   76    HB3  SER  12           HB2      SER  12  -3.993  -6.346   4.150
   77    HG   SER  12           HG       SER  12  -4.912  -5.659   6.286
   78    H    GLY  13           HN       GLY  13  -1.566  -6.982   4.299
   79    HA2  GLY  13           HA3      GLY  13   0.752  -5.478   3.408
   80    HA3  GLY  13           HA2      GLY  13   0.595  -7.227   3.454
   81    H    TYR  14           HN       TYR  14  -1.397  -4.741   1.906
   82    HA   TYR  14           HA       TYR  14  -1.141  -6.178  -0.599
   83    HB2  TYR  14           HB3      TYR  14  -2.741  -4.249  -1.371
   84    HB3  TYR  14           HB2      TYR  14  -3.335  -5.639  -0.488
   85    HD1  TYR  14           HD2      TYR  14  -1.601  -2.605   0.863
   86    HD2  TYR  14           HD1      TYR  14  -5.207  -4.843   0.595
   87    HE1  TYR  14           HE2      TYR  14  -2.655  -1.118   2.513
   88    HE2  TYR  14           HE1      TYR  14  -6.258  -3.348   2.239
   89    HH   TYR  14           HH       TYR  14  -5.661  -1.815   3.976
   90    H    ARG  15           HN       ARG  15  -1.601  -2.809  -0.887
   91    HA   ARG  15           HA       ARG  15   1.150  -2.506  -1.853
   92    HB2  ARG  15           HB3      ARG  15  -1.368  -1.691  -3.311
   93    HB3  ARG  15           HB2      ARG  15   0.267  -1.301  -3.824
   94    HG2  ARG  15           HG2      ARG  15   0.731  -3.471  -4.450
   95    HG3  ARG  15           HG1      ARG  15  -0.523  -4.144  -3.408
   96    HD2  ARG  15           HD3      ARG  15  -1.116  -4.269  -5.792
   97    HD3  ARG  15           HD2      ARG  15  -2.244  -3.278  -4.868
   98    HE   ARG  15           HE       ARG  15  -0.157  -1.735  -6.052
   99   HH11  ARG  15          HH11      ARG  15  -3.274  -3.221  -6.639
  100   HH12  ARG  15          HH12      ARG  15  -3.655  -2.183  -7.978
  101   HH21  ARG  15          HH21      ARG  15  -0.646  -0.386  -7.830
  102   HH22  ARG  15          HH22      ARG  15  -2.166  -0.567  -8.649
  103    H    CYS  16           HN       CYS  16   1.953  -0.410  -1.763
  104    HA   CYS  16           HA       CYS  16   0.526   1.318   0.100
  105    HB2  CYS  16           HB3      CYS  16   3.346   1.503  -0.989
  106    HB3  CYS  16           HB2      CYS  16   2.653   2.582   0.213
  107    H    SER  17           HN       SER  17  -0.773   2.755  -0.714
  108    HA   SER  17           HA       SER  17  -0.624   3.445  -3.526
  109    HB2  SER  17           HB3      SER  17  -2.745   2.752  -2.342
  110    HB3  SER  17           HB2      SER  17  -2.674   4.280  -1.470
  111    HG   SER  17           HG       SER  17  -2.920   3.912  -4.272
  112    H    ILE  18           HN       ILE  18   1.529   4.518  -2.415
  113    HA   ILE  18           HA       ILE  18   1.206   6.977  -1.064
  114    HB   ILE  18           HB       ILE  18   3.603   6.193  -2.719
  115   HG12  ILE  18          HG12      ILE  18   3.033   4.314  -1.263
  116   HG13  ILE  18          HG11      ILE  18   4.491   5.112  -0.685
  117   HG21  ILE  18          HG21      ILE  18   3.318   7.924  -0.266
  118   HG22  ILE  18          HG22      ILE  18   3.641   8.477  -1.908
  119   HG23  ILE  18          HG23      ILE  18   4.840   7.509  -1.052
  120   HD11  ILE  18          HD11      ILE  18   3.040   4.507   1.154
  121   HD12  ILE  18          HD12      ILE  18   1.725   5.446   0.446
  122   HD13  ILE  18          HD13      ILE  18   3.179   6.260   1.023
  123    H    VAL  19           HN       VAL  19   0.888   6.120  -4.343
  124    HA   VAL  19           HA       VAL  19   1.443   8.710  -5.438
  125    HB   VAL  19           HB       VAL  19   0.452   7.810  -7.519
  126   HG11  VAL  19          HG11      VAL  19   2.452   6.003  -6.166
  127   HG12  VAL  19          HG12      VAL  19   2.820   7.489  -7.048
  128   HG13  VAL  19          HG13      VAL  19   2.167   6.093  -7.907
  129   HG21  VAL  19          HG21      VAL  19   0.038   5.287  -5.925
  130   HG22  VAL  19          HG22      VAL  19  -0.204   5.469  -7.661
  131   HG23  VAL  19          HG23      VAL  19  -1.239   6.341  -6.530
  132    H    ASP  20           HN       ASP  20  -1.406   6.921  -4.451
  133    HA   ASP  20           HA       ASP  20  -3.188   9.107  -5.178
  134    HB2  ASP  20           HB3      ASP  20  -3.695   6.372  -3.990
  135    HB3  ASP  20           HB2      ASP  20  -4.966   7.563  -4.246
  136    H    LYS  21           HN       LYS  21  -2.760   7.133  -2.269
  137    HA   LYS  21           HA       LYS  21  -2.813   9.496  -0.582
  138    HB2  LYS  21           HB3      LYS  21  -4.549   7.795   0.790
  139    HB3  LYS  21           HB2      LYS  21  -4.968   9.285  -0.025
  140    HG2  LYS  21           HG3      LYS  21  -6.485   7.629  -0.761
  141    HG3  LYS  21           HG2      LYS  21  -5.378   7.946  -2.095
  142    HD2  LYS  21           HD3      LYS  21  -4.094   5.935  -1.471
  143    HD3  LYS  21           HD2      LYS  21  -5.256   5.611  -0.184
  144    HE2  LYS  21           HE3      LYS  21  -5.860   5.722  -3.140
  145    HE3  LYS  21           HE2      LYS  21  -5.726   4.260  -2.165
  146    HZ1  LYS  21           HZ1      LYS  21  -7.614   5.072  -0.836
  147    HZ2  LYS  21           HZ2      LYS  21  -8.021   4.819  -2.456
  148    HZ3  LYS  21           HZ3      LYS  21  -7.775   6.390  -1.883
  149    H    GLN  22           HN       GLN  22  -3.482   7.006   1.500
  150    HA   GLN  22           HA       GLN  22  -0.659   6.447   1.841
  151    HB2  GLN  22           HB3      GLN  22  -1.292   5.465   3.993
  152    HB3  GLN  22           HB2      GLN  22  -1.859   7.114   3.826
  153    HG2  GLN  22           HG2      GLN  22  -4.103   6.254   3.297
  154    HG3  GLN  22           HG1      GLN  22  -3.508   4.614   3.546
  155   HE21  GLN  22          HE21      GLN  22  -2.953   3.944   5.630
  156   HE22  GLN  22          HE22      GLN  22  -3.527   4.778   7.033
  157    H    CYS  23           HN       CYS  23  -3.663   4.499   1.659
  158    HA   CYS  23           HA       CYS  23  -2.109   2.306   0.496
  159    HB2  CYS  23           HB3      CYS  23  -4.004   1.990   2.837
  160    HB3  CYS  23           HB2      CYS  23  -3.128   0.697   2.031
  161    H    ILE  24           HN       ILE  24  -3.465   0.712  -0.599
  162    HA   ILE  24           HA       ILE  24  -5.632   2.114  -1.922
  163    HB   ILE  24           HB       ILE  24  -5.593  -0.185  -3.277
  164   HG12  ILE  24          HG12      ILE  24  -2.979  -0.479  -3.647
  165   HG13  ILE  24          HG11      ILE  24  -2.926  -0.070  -1.950
  166   HG21  ILE  24          HG21      ILE  24  -3.760   2.148  -3.732
  167   HG22  ILE  24          HG22      ILE  24  -5.436   2.003  -4.247
  168   HG23  ILE  24          HG23      ILE  24  -4.205   0.946  -4.939
  169   HD11  ILE  24          HD11      ILE  24  -4.381  -1.904  -1.422
  170   HD12  ILE  24          HD12      ILE  24  -2.989  -2.471  -2.336
  171   HD13  ILE  24          HD13      ILE  24  -4.552  -2.291  -3.130
  172    H    LYS  25           HN       LYS  25  -5.425  -0.290   0.479
  173    HA   LYS  25           HA       LYS  25  -6.825  -1.917   1.241
  174    HB2  LYS  25           HB3      LYS  25  -8.707   0.335   0.608
  175    HB3  LYS  25           HB2      LYS  25  -9.264  -1.150   1.344
  176    HG2  LYS  25           HG3      LYS  25  -8.952   0.360   3.111
  177    HG3  LYS  25           HG2      LYS  25  -7.573  -0.737   3.173
  178    HD2  LYS  25           HD3      LYS  25  -6.764   1.480   3.518
  179    HD3  LYS  25           HD2      LYS  25  -6.261   0.971   1.906
  180    HE2  LYS  25           HE3      LYS  25  -7.059   3.257   1.842
  181    HE3  LYS  25           HE2      LYS  25  -8.155   2.211   0.946
  182    HZ1  LYS  25           HZ1      LYS  25  -9.344   3.793   2.341
  183    HZ2  LYS  25           HZ2      LYS  25  -8.595   3.170   3.721
  184    HZ3  LYS  25           HZ3      LYS  25  -9.653   2.204   2.828
  185    H    LYS  26           HN       LYS  26  -6.080  -2.828  -1.057
  186    HA   LYS  26           HA       LYS  26  -8.446  -4.029  -2.217
  187    HB2  LYS  26           HB3      LYS  26  -7.978  -1.840  -3.459
  188    HB3  LYS  26           HB2      LYS  26  -6.504  -2.600  -4.034
  189    HG2  LYS  26           HG3      LYS  26  -8.090  -2.860  -5.750
  190    HG3  LYS  26           HG2      LYS  26  -7.949  -4.437  -4.974
  191    HD2  LYS  26           HD3      LYS  26 -10.277  -3.966  -5.384
  192    HD3  LYS  26           HD2      LYS  26  -9.978  -3.913  -3.647
  193    HE2  LYS  26           HE3      LYS  26  -9.856  -1.467  -3.747
  194    HE3  LYS  26           HE2      LYS  26 -10.157  -1.524  -5.482
  195    HZ1  LYS  26           HZ1      LYS  26 -12.323  -2.468  -5.057
  196    HZ2  LYS  26           HZ2      LYS  26 -12.159  -1.018  -4.203
  197    HZ3  LYS  26           HZ3      LYS  26 -12.029  -2.493  -3.391
  198    H    GLU  27           HN       GLU  27  -8.016  -6.109  -2.634
  199    HA   GLU  27           HA       GLU  27  -5.228  -6.862  -3.173
  200    HB2  GLU  27           HB3      GLU  27  -5.895  -7.507  -0.872
  201    HB3  GLU  27           HB2      GLU  27  -7.213  -8.453  -1.538
  202    HG2  GLU  27           HG3      GLU  27  -5.617  -9.883  -2.683
  203    HG3  GLU  27           HG2      GLU  27  -4.298  -8.919  -2.028
  Start of MODEL    4
    1    H1   LEU   1           HT1      LEU   1   6.828  16.701   2.716
    2    H2   LEU   1           HT2      LEU   1   6.656  15.887   1.246
    3    H3   LEU   1           HT3      LEU   1   7.577  15.203   2.487
    4    HA   LEU   1           HA       LEU   1   5.596  15.038   3.873
    5    HB2  LEU   1           HB3      LEU   1   4.242  15.977   1.342
    6    HB3  LEU   1           HB2      LEU   1   3.399  15.283   2.710
    7    HG   LEU   1           HG       LEU   1   5.022  17.825   2.824
    8   HD11  LEU   1          HD11      LEU   1   2.038  17.425   2.654
    9   HD12  LEU   1          HD12      LEU   1   3.071  18.117   1.403
   10   HD13  LEU   1          HD13      LEU   1   2.854  18.963   2.935
   11   HD21  LEU   1          HD21      LEU   1   4.870  16.648   4.960
   12   HD22  LEU   1          HD22      LEU   1   3.117  16.575   4.801
   13   HD23  LEU   1          HD23      LEU   1   3.920  18.133   4.983
   14    H    ASN   2           HN       ASN   2   6.345  14.184   0.561
   15    HA   ASN   2           HA       ASN   2   4.834  11.799   0.443
   16    HB2  ASN   2           HB3      ASN   2   5.603  12.825  -1.601
   17    HB3  ASN   2           HB2      ASN   2   7.283  12.677  -1.099
   18   HD21  ASN   2          HD21      ASN   2   4.482  10.979  -2.284
   19   HD22  ASN   2          HD22      ASN   2   5.318   9.534  -2.748
   20    H    ASN   3           HN       ASN   3   5.283   9.754   0.983
   21    HA   ASN   3           HA       ASN   3   7.934   9.139   2.087
   22    HB2  ASN   3           HB3      ASN   3   6.899   7.820   3.866
   23    HB3  ASN   3           HB2      ASN   3   6.337   9.485   3.949
   24   HD21  ASN   3          HD21      ASN   3   5.471   6.193   3.219
   25   HD22  ASN   3          HD22      ASN   3   3.759   6.443   3.206
   26    HA   PRO   4           HA       PRO   4   7.482   5.502  -0.463
   27    HB2  PRO   4           HB3      PRO   4   9.391   3.946   0.613
   28    HB3  PRO   4           HB2      PRO   4   9.794   5.385  -0.331
   29    HG2  PRO   4           HG3      PRO   4   9.724   5.025   2.638
   30    HG3  PRO   4           HG2      PRO   4  10.918   5.874   1.642
   31    HD2  PRO   4           HD3      PRO   4   8.905   7.131   3.009
   32    HD3  PRO   4           HD2      PRO   4   9.653   7.780   1.538
   33    H    CYS   5           HN       CYS   5   7.131   3.079  -0.169
   34    HA   CYS   5           HA       CYS   5   5.136   2.587   1.789
   35    HB2  CYS   5           HB3      CYS   5   5.344   1.402  -0.431
   36    HB3  CYS   5           HB2      CYS   5   6.707   0.519   0.239
   37    H    ASN   6           HN       ASN   6   8.580   2.098   1.619
   38    HA   ASN   6           HA       ASN   6   8.744   0.651   4.104
   39    HB2  ASN   6           HB3      ASN   6  10.410   0.452   2.215
   40    HB3  ASN   6           HB2      ASN   6  10.968   2.071   2.619
   41   HD21  ASN   6          HD21      ASN   6  12.253   2.373   4.402
   42   HD22  ASN   6          HD22      ASN   6  12.909   1.067   5.327
   43    H    GLY   7           HN       GLY   7   7.229   2.587   4.798
   44    HA2  GLY   7           HA3      GLY   7   8.787   4.088   6.703
   45    HA3  GLY   7           HA2      GLY   7   7.986   5.089   5.495
   46    H    VAL   8           HN       VAL   8   5.639   4.716   5.220
   47    HA   VAL   8           HA       VAL   8   4.335   4.253   7.783
   48    HB   VAL   8           HB       VAL   8   3.170   5.201   5.154
   49   HG11  VAL   8          HG11      VAL   8   1.505   4.057   6.516
   50   HG12  VAL   8          HG12      VAL   8   1.190   5.792   6.478
   51   HG13  VAL   8          HG13      VAL   8   1.930   5.061   7.902
   52   HG21  VAL   8          HG21      VAL   8   3.847   6.731   7.666
   53   HG22  VAL   8          HG22      VAL   8   3.054   7.393   6.237
   54   HG23  VAL   8          HG23      VAL   8   4.716   6.817   6.134
   55    H    THR   9           HN       THR   9   3.624   2.288   8.270
   56    HA   THR   9           HA       THR   9   3.424   0.250   6.239
   57    HB   THR   9           HB       THR   9   2.799   0.064   9.196
   58    HG1  THR   9           HG1      THR   9   5.158   0.236   7.813
   59   HG21  THR   9          HG21      THR   9   1.843  -1.765   7.862
   60   HG22  THR   9          HG22      THR   9   3.159  -2.337   8.887
   61   HG23  THR   9          HG23      THR   9   3.430  -2.084   7.163
   62    H    CYS  10           HN       CYS  10   1.630  -0.440   5.280
   63    HA   CYS  10           HA       CYS  10  -0.902   0.796   5.918
   64    HB2  CYS  10           HB3      CYS  10   0.108  -0.956   3.710
   65    HB3  CYS  10           HB2      CYS  10  -1.624  -0.773   3.946
   66    HA   PRO  11           HA       PRO  11  -2.828  -2.268   8.440
   67    HB2  PRO  11           HB3      PRO  11  -5.116  -2.738   6.861
   68    HB3  PRO  11           HB2      PRO  11  -4.962  -1.564   8.170
   69    HG2  PRO  11           HG3      PRO  11  -4.705  -1.166   5.225
   70    HG3  PRO  11           HG2      PRO  11  -5.370  -0.074   6.459
   71    HD2  PRO  11           HD3      PRO  11  -2.965   0.358   5.398
   72    HD3  PRO  11           HD2      PRO  11  -3.255   0.640   7.130
   73    H    SER  12           HN       SER  12  -3.929  -3.251   5.208
   74    HA   SER  12           HA       SER  12  -2.998  -5.949   5.708
   75    HB2  SER  12           HB3      SER  12  -4.430  -4.796   3.301
   76    HB3  SER  12           HB2      SER  12  -4.170  -6.509   3.633
   77    HG   SER  12           HG       SER  12  -5.295  -5.761   5.767
   78    H    GLY  13           HN       GLY  13  -1.814  -7.086   3.905
   79    HA2  GLY  13           HA3      GLY  13   0.540  -5.473   3.322
   80    HA3  GLY  13           HA2      GLY  13   0.436  -7.226   3.259
   81    H    TYR  14           HN       TYR  14  -1.420  -4.635   1.691
   82    HA   TYR  14           HA       TYR  14  -1.084  -5.989  -0.852
   83    HB2  TYR  14           HB3      TYR  14  -2.506  -3.898  -1.598
   84    HB3  TYR  14           HB2      TYR  14  -3.224  -5.323  -0.888
   85    HD1  TYR  14           HD2      TYR  14  -1.536  -2.336   0.628
   86    HD2  TYR  14           HD1      TYR  14  -5.040  -4.728   0.360
   87    HE1  TYR  14           HE2      TYR  14  -2.623  -0.937   2.322
   88    HE2  TYR  14           HE1      TYR  14  -6.130  -3.313   2.048
   89    HH   TYR  14           HH       TYR  14  -5.608  -1.796   3.792
   90    H    ARG  15           HN       ARG  15  -1.289  -2.548  -0.993
   91    HA   ARG  15           HA       ARG  15   1.588  -2.285  -1.245
   92    HB2  ARG  15           HB3      ARG  15   1.513  -1.268  -3.464
   93    HB3  ARG  15           HB2      ARG  15   0.930  -2.924  -3.512
   94    HG2  ARG  15           HG2      ARG  15  -1.374  -2.102  -3.549
   95    HG3  ARG  15           HG1      ARG  15  -0.774  -0.444  -3.526
   96    HD2  ARG  15           HD3      ARG  15  -1.368  -1.175  -5.794
   97    HD3  ARG  15           HD2      ARG  15   0.346  -0.790  -5.649
   98    HE   ARG  15           HE       ARG  15  -0.273  -3.576  -5.251
   99   HH11  ARG  15          HH11      ARG  15   0.471  -1.117  -7.634
  100   HH12  ARG  15          HH12      ARG  15   1.116  -2.247  -8.783
  101   HH21  ARG  15          HH21      ARG  15   0.576  -5.058  -6.753
  102   HH22  ARG  15          HH22      ARG  15   1.180  -4.485  -8.277
  103    H    CYS  16           HN       CYS  16   2.310  -0.123  -1.280
  104    HA   CYS  16           HA       CYS  16   0.498   1.634   0.183
  105    HB2  CYS  16           HB3      CYS  16   3.477   1.895  -0.317
  106    HB3  CYS  16           HB2      CYS  16   2.520   2.907   0.752
  107    H    SER  17           HN       SER  17  -0.755   2.567  -1.347
  108    HA   SER  17           HA       SER  17   0.352   3.545  -3.816
  109    HB2  SER  17           HB3      SER  17  -2.071   4.381  -4.070
  110    HB3  SER  17           HB2      SER  17  -1.797   2.638  -4.030
  111    HG   SER  17           HG       SER  17  -2.542   4.249  -1.803
  112    H    ILE  18           HN       ILE  18   1.678   4.829  -1.807
  113    HA   ILE  18           HA       ILE  18   0.527   7.083  -0.638
  114    HB   ILE  18           HB       ILE  18   3.430   6.836  -1.434
  115   HG12  ILE  18          HG12      ILE  18   2.704   4.803  -0.255
  116   HG13  ILE  18          HG11      ILE  18   3.803   5.755   0.734
  117   HG21  ILE  18          HG21      ILE  18   2.818   9.041  -0.634
  118   HG22  ILE  18          HG22      ILE  18   3.820   8.219   0.563
  119   HG23  ILE  18          HG23      ILE  18   2.076   8.337   0.804
  120   HD11  ILE  18          HD11      ILE  18   0.810   5.635   1.010
  121   HD12  ILE  18          HD12      ILE  18   1.889   6.633   1.987
  122   HD13  ILE  18          HD13      ILE  18   1.996   4.874   2.070
  123    H    VAL  19           HN       VAL  19   1.410   6.571  -3.875
  124    HA   VAL  19           HA       VAL  19   1.845   9.308  -4.596
  125    HB   VAL  19           HB       VAL  19   1.800   8.502  -6.896
  126   HG11  VAL  19          HG11      VAL  19   3.305   6.699  -5.004
  127   HG12  VAL  19          HG12      VAL  19   3.854   8.255  -5.638
  128   HG13  VAL  19          HG13      VAL  19   3.659   6.882  -6.727
  129   HG21  VAL  19          HG21      VAL  19   0.999   5.842  -5.733
  130   HG22  VAL  19          HG22      VAL  19   1.449   6.132  -7.412
  131   HG23  VAL  19          HG23      VAL  19  -0.005   6.876  -6.746
  132    H    ASP  20           HN       ASP  20  -0.801   7.035  -4.666
  133    HA   ASP  20           HA       ASP  20  -2.710   9.009  -5.629
  134    HB2  ASP  20           HB3      ASP  20  -2.949   6.083  -4.900
  135    HB3  ASP  20           HB2      ASP  20  -4.338   7.076  -5.340
  136    H    LYS  21           HN       LYS  21  -2.970   6.658  -2.998
  137    HA   LYS  21           HA       LYS  21  -3.295   8.731  -1.002
  138    HB2  LYS  21           HB3      LYS  21  -5.429   7.982  -0.182
  139    HB3  LYS  21           HB2      LYS  21  -5.607   8.367  -1.884
  140    HG2  LYS  21           HG3      LYS  21  -5.133   5.553  -0.965
  141    HG3  LYS  21           HG2      LYS  21  -6.745   6.263  -0.980
  142    HD2  LYS  21           HD3      LYS  21  -6.397   6.789  -3.406
  143    HD3  LYS  21           HD2      LYS  21  -4.900   5.856  -3.327
  144    HE2  LYS  21           HE3      LYS  21  -6.130   3.875  -2.688
  145    HE3  LYS  21           HE2      LYS  21  -7.634   4.787  -2.635
  146    HZ1  LYS  21           HZ1      LYS  21  -5.992   4.311  -5.062
  147    HZ2  LYS  21           HZ2      LYS  21  -7.448   5.167  -5.006
  148    HZ3  LYS  21           HZ3      LYS  21  -7.431   3.513  -4.673
  149    H    GLN  22           HN       GLN  22  -3.422   7.669   1.229
  150    HA   GLN  22           HA       GLN  22  -1.051   6.482   1.655
  151    HB2  GLN  22           HB3      GLN  22  -1.908   5.729   3.861
  152    HB3  GLN  22           HB2      GLN  22  -2.291   7.396   3.476
  153    HG2  GLN  22           HG2      GLN  22  -4.559   6.631   2.775
  154    HG3  GLN  22           HG1      GLN  22  -4.144   5.032   3.386
  155   HE21  GLN  22          HE21      GLN  22  -2.569   6.191   5.599
  156   HE22  GLN  22          HE22      GLN  22  -3.733   6.762   6.742
  157    H    CYS  23           HN       CYS  23  -4.060   4.516   1.623
  158    HA   CYS  23           HA       CYS  23  -2.433   2.278   0.660
  159    HB2  CYS  23           HB3      CYS  23  -4.512   1.999   2.837
  160    HB3  CYS  23           HB2      CYS  23  -3.448   0.752   2.219
  161    H    ILE  24           HN       ILE  24  -3.480   0.928  -0.783
  162    HA   ILE  24           HA       ILE  24  -5.749   2.145  -2.049
  163    HB   ILE  24           HB       ILE  24  -5.542  -0.086  -3.474
  164   HG12  ILE  24          HG12      ILE  24  -3.065  -0.554  -3.749
  165   HG13  ILE  24          HG11      ILE  24  -2.816   0.212  -2.198
  166   HG21  ILE  24          HG21      ILE  24  -4.009   1.160  -4.969
  167   HG22  ILE  24          HG22      ILE  24  -3.801   2.349  -3.684
  168   HG23  ILE  24          HG23      ILE  24  -5.390   2.097  -4.403
  169   HD11  ILE  24          HD11      ILE  24  -4.380  -1.423  -1.210
  170   HD12  ILE  24          HD12      ILE  24  -2.907  -2.116  -1.880
  171   HD13  ILE  24          HD13      ILE  24  -4.421  -2.245  -2.771
  172    H    LYS  25           HN       LYS  25  -5.430  -0.234   0.305
  173    HA   LYS  25           HA       LYS  25  -6.746  -1.819   1.197
  174    HB2  LYS  25           HB3      LYS  25  -8.632   0.321   0.392
  175    HB3  LYS  25           HB2      LYS  25  -9.301  -1.203   0.935
  176    HG2  LYS  25           HG3      LYS  25  -9.215   0.177   2.833
  177    HG3  LYS  25           HG2      LYS  25  -7.876  -0.955   3.001
  178    HD2  LYS  25           HD3      LYS  25  -6.752   0.947   3.495
  179    HD3  LYS  25           HD2      LYS  25  -6.598   1.015   1.739
  180    HE2  LYS  25           HE3      LYS  25  -8.692   2.418   3.402
  181    HE3  LYS  25           HE2      LYS  25  -7.281   3.173   2.668
  182    HZ1  LYS  25           HZ1      LYS  25  -9.495   1.869   1.179
  183    HZ2  LYS  25           HZ2      LYS  25  -8.161   2.651   0.493
  184    HZ3  LYS  25           HZ3      LYS  25  -9.296   3.536   1.379
  185    H    LYS  26           HN       LYS  26  -5.880  -2.407  -1.454
  186    HA   LYS  26           HA       LYS  26  -8.199  -3.585  -2.762
  187    HB2  LYS  26           HB3      LYS  26  -6.102  -2.449  -3.893
  188    HB3  LYS  26           HB2      LYS  26  -5.389  -4.041  -3.692
  189    HG2  LYS  26           HG3      LYS  26  -7.930  -3.434  -5.198
  190    HG3  LYS  26           HG2      LYS  26  -6.350  -3.723  -5.921
  191    HD2  LYS  26           HD3      LYS  26  -7.847  -5.718  -4.220
  192    HD3  LYS  26           HD2      LYS  26  -7.868  -5.693  -5.983
  193    HE2  LYS  26           HE3      LYS  26  -5.455  -6.045  -6.025
  194    HE3  LYS  26           HE2      LYS  26  -5.415  -6.032  -4.264
  195    HZ1  LYS  26           HZ1      LYS  26  -6.917  -7.996  -5.901
  196    HZ2  LYS  26           HZ2      LYS  26  -6.752  -8.012  -4.214
  197    HZ3  LYS  26           HZ3      LYS  26  -5.405  -8.278  -5.203
  198    H    GLU  27           HN       GLU  27  -8.899  -5.300  -1.657
  199    HA   GLU  27           HA       GLU  27  -6.991  -7.269  -0.657
  200    HB2  GLU  27           HB3      GLU  27  -9.227  -6.318   0.487
  201    HB3  GLU  27           HB2      GLU  27  -9.935  -7.655  -0.403
  202    HG2  GLU  27           HG3      GLU  27  -7.707  -7.858   1.609
  203    HG3  GLU  27           HG2      GLU  27  -9.396  -8.267   1.888
  Start of MODEL    5
    1    H1   LEU   1           HT1      LEU   1   8.839   3.305 -11.154
    2    H2   LEU   1           HT2      LEU   1   7.238   3.841 -11.173
    3    H3   LEU   1           HT3      LEU   1   7.573   2.199 -10.974
    4    HA   LEU   1           HA       LEU   1   8.306   4.349  -9.074
    5    HB2  LEU   1           HB3      LEU   1   6.170   2.220  -8.929
    6    HB3  LEU   1           HB2      LEU   1   6.648   3.234  -7.586
    7    HG   LEU   1           HG       LEU   1   5.430   4.241 -10.158
    8   HD11  LEU   1          HD11      LEU   1   4.194   3.965  -7.423
    9   HD12  LEU   1          HD12      LEU   1   3.888   2.887  -8.782
   10   HD13  LEU   1          HD13      LEU   1   3.416   4.582  -8.880
   11   HD21  LEU   1          HD21      LEU   1   5.198   6.349  -8.930
   12   HD22  LEU   1          HD22      LEU   1   6.889   5.878  -9.096
   13   HD23  LEU   1          HD23      LEU   1   6.056   5.642  -7.560
   14    H    ASN   2           HN       ASN   2   7.837   0.825  -9.390
   15    HA   ASN   2           HA       ASN   2   8.877  -0.948  -8.433
   16    HB2  ASN   2           HB3      ASN   2  10.777  -0.109  -9.803
   17    HB3  ASN   2           HB2      ASN   2  11.312   0.854  -8.430
   18   HD21  ASN   2          HD21      ASN   2  13.274  -0.197  -8.319
   19   HD22  ASN   2          HD22      ASN   2  13.430  -1.818  -7.735
   20    H    ASN   3           HN       ASN   3   7.395  -0.215  -6.658
   21    HA   ASN   3           HA       ASN   3   8.951   0.351  -4.229
   22    HB2  ASN   3           HB3      ASN   3   7.697   2.357  -4.832
   23    HB3  ASN   3           HB2      ASN   3   6.211   1.422  -4.950
   24   HD21  ASN   3          HD21      ASN   3   5.208   2.735  -3.421
   25   HD22  ASN   3          HD22      ASN   3   5.568   2.612  -1.736
   26    HA   PRO   4           HA       PRO   4   6.747  -3.507  -3.222
   27    HB2  PRO   4           HB3      PRO   4   8.935  -3.995  -1.392
   28    HB3  PRO   4           HB2      PRO   4   8.494  -4.899  -2.841
   29    HG2  PRO   4           HG3      PRO   4  10.770  -3.398  -2.621
   30    HG3  PRO   4           HG2      PRO   4   9.964  -3.748  -4.159
   31    HD2  PRO   4           HD3      PRO   4   9.862  -1.270  -2.483
   32    HD3  PRO   4           HD2      PRO   4   9.940  -1.437  -4.251
   33    H    CYS   5           HN       CYS   5   7.424  -0.681  -1.786
   34    HA   CYS   5           HA       CYS   5   6.641   0.485  -0.057
   35    HB2  CYS   5           HB3      CYS   5   4.595  -0.962  -0.517
   36    HB3  CYS   5           HB2      CYS   5   5.072  -1.873   0.900
   37    H    ASN   6           HN       ASN   6   7.829   1.015   1.511
   38    HA   ASN   6           HA       ASN   6   8.773  -0.862   3.502
   39    HB2  ASN   6           HB3      ASN   6  11.191  -0.287   3.058
   40    HB3  ASN   6           HB2      ASN   6  10.437  -1.308   1.838
   41   HD21  ASN   6          HD21      ASN   6  11.808   1.785   2.535
   42   HD22  ASN   6          HD22      ASN   6  11.832   2.375   0.908
   43    H    GLY   7           HN       GLY   7   7.121   1.254   3.807
   44    HA2  GLY   7           HA3      GLY   7   8.600   2.874   5.678
   45    HA3  GLY   7           HA2      GLY   7   7.996   3.774   4.294
   46    H    VAL   8           HN       VAL   8   5.586   2.556   3.857
   47    HA   VAL   8           HA       VAL   8   4.050   3.535   6.125
   48    HB   VAL   8           HB       VAL   8   3.083   2.552   3.432
   49   HG11  VAL   8          HG11      VAL   8   1.374   2.420   5.177
   50   HG12  VAL   8          HG12      VAL   8   0.992   3.674   3.998
   51   HG13  VAL   8          HG13      VAL   8   1.647   4.116   5.575
   52   HG21  VAL   8          HG21      VAL   8   3.615   5.346   4.427
   53   HG22  VAL   8          HG22      VAL   8   2.775   4.956   2.927
   54   HG23  VAL   8          HG23      VAL   8   4.466   4.500   3.134
   55    H    THR   9           HN       THR   9   3.931   2.045   7.714
   56    HA   THR   9           HA       THR   9   3.508  -0.752   7.162
   57    HB   THR   9           HB       THR   9   3.167   0.606   9.837
   58    HG1  THR   9           HG1      THR   9   5.573  -0.311   8.596
   59   HG21  THR   9          HG21      THR   9   2.468  -1.761   9.620
   60   HG22  THR   9          HG22      THR   9   3.830  -1.554  10.723
   61   HG23  THR   9          HG23      THR   9   4.100  -2.170   9.092
   62    H    CYS  10           HN       CYS  10   1.602  -0.912   6.048
   63    HA   CYS  10           HA       CYS  10  -0.759   0.484   7.037
   64    HB2  CYS  10           HB3      CYS  10   0.082   0.367   4.568
   65    HB3  CYS  10           HB2      CYS  10  -0.651  -1.233   4.561
   66    HA   PRO  11           HA       PRO  11  -2.895  -2.836   9.081
   67    HB2  PRO  11           HB3      PRO  11  -5.170  -3.001   7.425
   68    HB3  PRO  11           HB2      PRO  11  -4.996  -2.008   8.875
   69    HG2  PRO  11           HG3      PRO  11  -4.577  -1.259   5.996
   70    HG3  PRO  11           HG2      PRO  11  -5.339  -0.323   7.312
   71    HD2  PRO  11           HD3      PRO  11  -2.886   0.279   6.581
   72    HD3  PRO  11           HD2      PRO  11  -3.252   0.154   8.317
   73    H    SER  12           HN       SER  12  -4.093  -3.357   5.803
   74    HA   SER  12           HA       SER  12  -3.189  -6.099   5.884
   75    HB2  SER  12           HB3      SER  12  -5.401  -5.579   4.943
   76    HB3  SER  12           HB2      SER  12  -4.649  -4.555   3.722
   77    HG   SER  12           HG       SER  12  -4.979  -7.245   3.757
   78    H    GLY  13           HN       GLY  13  -1.797  -7.001   4.286
   79    HA2  GLY  13           HA3      GLY  13   0.404  -5.199   3.716
   80    HA3  GLY  13           HA2      GLY  13   0.436  -6.955   3.612
   81    H    TYR  14           HN       TYR  14  -1.621  -4.475   2.124
   82    HA   TYR  14           HA       TYR  14  -1.307  -5.766  -0.441
   83    HB2  TYR  14           HB3      TYR  14  -2.616  -3.538  -1.111
   84    HB3  TYR  14           HB2      TYR  14  -3.402  -4.976  -0.503
   85    HD1  TYR  14           HD2      TYR  14  -1.675  -2.055   1.125
   86    HD2  TYR  14           HD1      TYR  14  -5.165  -4.470   0.861
   87    HE1  TYR  14           HE2      TYR  14  -2.752  -0.715   2.880
   88    HE2  TYR  14           HE1      TYR  14  -6.230  -3.115   2.615
   89    HH   TYR  14           HH       TYR  14  -5.635  -1.664   4.427
   90    H    ARG  15           HN       ARG  15  -1.365  -2.334  -0.505
   91    HA   ARG  15           HA       ARG  15   1.488  -2.071  -0.773
   92    HB2  ARG  15           HB3      ARG  15   1.484  -1.249  -3.052
   93    HB3  ARG  15           HB2      ARG  15   0.807  -2.868  -3.026
   94    HG2  ARG  15           HG2      ARG  15  -1.453  -1.871  -3.108
   95    HG3  ARG  15           HG1      ARG  15  -0.707  -0.279  -3.260
   96    HD2  ARG  15           HD3      ARG  15  -1.314  -1.061  -5.448
   97    HD3  ARG  15           HD2      ARG  15   0.444  -1.067  -5.308
   98    HE   ARG  15           HE       ARG  15  -0.378  -3.599  -4.594
   99   HH11  ARG  15          HH11      ARG  15  -0.607  -1.563  -7.426
  100   HH12  ARG  15          HH12      ARG  15  -0.673  -2.893  -8.535
  101   HH21  ARG  15          HH21      ARG  15  -0.468  -5.359  -6.052
  102   HH22  ARG  15          HH22      ARG  15  -0.607  -5.052  -7.753
  103    H    CYS  16           HN       CYS  16   2.085   0.230  -1.093
  104    HA   CYS  16           HA       CYS  16   0.056   1.917   0.171
  105    HB2  CYS  16           HB3      CYS  16   2.105   3.369   0.733
  106    HB3  CYS  16           HB2      CYS  16   1.909   1.855   1.605
  107    H    SER  17           HN       SER  17  -1.006   2.963  -1.300
  108    HA   SER  17           HA       SER  17   0.089   3.490  -3.892
  109    HB2  SER  17           HB3      SER  17  -2.229   4.536  -4.201
  110    HB3  SER  17           HB2      SER  17  -2.159   2.807  -3.874
  111    HG   SER  17           HG       SER  17  -2.495   4.747  -1.826
  112    H    ILE  18           HN       ILE  18   1.788   4.863  -2.576
  113    HA   ILE  18           HA       ILE  18   1.182   7.332  -1.454
  114    HB   ILE  18           HB       ILE  18   3.684   6.707  -3.032
  115   HG12  ILE  18          HG12      ILE  18   3.257   4.916  -1.422
  116   HG13  ILE  18          HG11      ILE  18   4.632   5.888  -0.912
  117   HG21  ILE  18          HG21      ILE  18   4.766   8.271  -1.489
  118   HG22  ILE  18          HG22      ILE  18   3.209   8.590  -0.725
  119   HG23  ILE  18          HG23      ILE  18   3.477   9.048  -2.407
  120   HD11  ILE  18          HD11      ILE  18   3.237   5.328   0.973
  121   HD12  ILE  18          HD12      ILE  18   1.833   6.043   0.182
  122   HD13  ILE  18          HD13      ILE  18   3.182   7.065   0.678
  123    H    VAL  19           HN       VAL  19   1.067   6.370  -4.709
  124    HA   VAL  19           HA       VAL  19   1.344   8.962  -5.887
  125    HB   VAL  19           HB       VAL  19   0.717   7.878  -7.952
  126   HG11  VAL  19          HG11      VAL  19   2.511   6.178  -6.230
  127   HG12  VAL  19          HG12      VAL  19   2.993   7.577  -7.199
  128   HG13  VAL  19          HG13      VAL  19   2.442   6.105  -7.995
  129   HG21  VAL  19          HG21      VAL  19   0.043   5.470  -6.274
  130   HG22  VAL  19          HG22      VAL  19   0.116   5.491  -8.034
  131   HG23  VAL  19          HG23      VAL  19  -1.098   6.454  -7.191
  132    H    ASP  20           HN       ASP  20  -1.257   6.852  -4.934
  133    HA   ASP  20           HA       ASP  20  -3.323   8.717  -5.790
  134    HB2  ASP  20           HB3      ASP  20  -3.691   6.412  -6.364
  135    HB3  ASP  20           HB2      ASP  20  -3.424   5.903  -4.701
  136    H    LYS  21           HN       LYS  21  -2.953   6.737  -2.863
  137    HA   LYS  21           HA       LYS  21  -3.118   9.000  -1.102
  138    HB2  LYS  21           HB3      LYS  21  -5.162   8.177   0.077
  139    HB3  LYS  21           HB2      LYS  21  -5.478   8.793  -1.538
  140    HG2  LYS  21           HG3      LYS  21  -5.565   6.506  -2.394
  141    HG3  LYS  21           HG2      LYS  21  -5.259   5.891  -0.767
  142    HD2  LYS  21           HD3      LYS  21  -7.326   6.873   0.025
  143    HD3  LYS  21           HD2      LYS  21  -7.612   7.607  -1.552
  144    HE2  LYS  21           HE3      LYS  21  -7.386   4.638  -1.097
  145    HE3  LYS  21           HE2      LYS  21  -8.913   5.516  -1.106
  146    HZ1  LYS  21           HZ1      LYS  21  -7.000   5.458  -3.381
  147    HZ2  LYS  21           HZ2      LYS  21  -8.545   6.149  -3.368
  148    HZ3  LYS  21           HZ3      LYS  21  -8.373   4.474  -3.252
  149    H    GLN  22           HN       GLN  22  -3.493   7.921   1.296
  150    HA   GLN  22           HA       GLN  22  -1.059   6.837   1.866
  151    HB2  GLN  22           HB3      GLN  22  -1.919   6.245   4.066
  152    HB3  GLN  22           HB2      GLN  22  -2.511   7.818   3.560
  153    HG2  GLN  22           HG2      GLN  22  -4.647   6.758   2.917
  154    HG3  GLN  22           HG1      GLN  22  -4.042   5.229   3.552
  155   HE21  GLN  22          HE21      GLN  22  -3.701   5.025   5.792
  156   HE22  GLN  22          HE22      GLN  22  -4.495   6.070   6.920
  157    H    CYS  23           HN       CYS  23  -4.056   4.924   1.489
  158    HA   CYS  23           HA       CYS  23  -2.464   2.703   0.552
  159    HB2  CYS  23           HB3      CYS  23  -4.175   2.531   3.029
  160    HB3  CYS  23           HB2      CYS  23  -3.751   1.122   2.079
  161    H    ILE  24           HN       ILE  24  -3.736   1.067  -0.455
  162    HA   ILE  24           HA       ILE  24  -5.912   2.322  -1.903
  163    HB   ILE  24           HB       ILE  24  -5.568  -0.134  -3.057
  164   HG12  ILE  24          HG12      ILE  24  -3.024  -0.236  -3.360
  165   HG13  ILE  24          HG11      ILE  24  -2.934   0.762  -1.916
  166   HG21  ILE  24          HG21      ILE  24  -4.285   1.092  -4.789
  167   HG22  ILE  24          HG22      ILE  24  -4.204   2.471  -3.691
  168   HG23  ILE  24          HG23      ILE  24  -5.764   1.908  -4.285
  169   HD11  ILE  24          HD11      ILE  24  -4.194  -0.970  -0.702
  170   HD12  ILE  24          HD12      ILE  24  -2.648  -1.532  -1.335
  171   HD13  ILE  24          HD13      ILE  24  -4.148  -1.972  -2.153
  172    H    LYS  25           HN       LYS  25  -5.506  -0.116   0.475
  173    HA   LYS  25           HA       LYS  25  -6.741  -1.832   1.259
  174    HB2  LYS  25           HB3      LYS  25  -8.873   0.153   0.537
  175    HB3  LYS  25           HB2      LYS  25  -9.255  -1.380   1.289
  176    HG2  LYS  25           HG3      LYS  25  -9.173   0.183   3.035
  177    HG3  LYS  25           HG2      LYS  25  -7.669  -0.730   3.143
  178    HD2  LYS  25           HD3      LYS  25  -7.129   1.567   3.462
  179    HD3  LYS  25           HD2      LYS  25  -6.568   1.120   1.851
  180    HE2  LYS  25           HE3      LYS  25  -7.657   3.292   1.800
  181    HE3  LYS  25           HE2      LYS  25  -8.591   2.114   0.881
  182    HZ1  LYS  25           HZ1      LYS  25 -10.081   1.876   2.759
  183    HZ2  LYS  25           HZ2      LYS  25 -10.008   3.492   2.273
  184    HZ3  LYS  25           HZ3      LYS  25  -9.179   2.988   3.658
  185    H    LYS  26           HN       LYS  26  -5.850  -2.200  -1.345
  186    HA   LYS  26           HA       LYS  26  -8.088  -3.652  -2.601
  187    HB2  LYS  26           HB3      LYS  26  -5.680  -2.387  -3.929
  188    HB3  LYS  26           HB2      LYS  26  -6.897  -3.349  -4.754
  189    HG2  LYS  26           HG3      LYS  26  -7.414  -0.749  -3.328
  190    HG3  LYS  26           HG2      LYS  26  -7.214  -0.937  -5.069
  191    HD2  LYS  26           HD3      LYS  26  -9.174  -2.415  -5.120
  192    HD3  LYS  26           HD2      LYS  26  -9.373  -2.197  -3.379
  193    HE2  LYS  26           HE3      LYS  26  -9.671   0.217  -3.735
  194    HE3  LYS  26           HE2      LYS  26  -9.516  -0.032  -5.473
  195    HZ1  LYS  26           HZ1      LYS  26 -11.636  -1.185  -3.747
  196    HZ2  LYS  26           HZ2      LYS  26 -11.488  -1.421  -5.412
  197    HZ3  LYS  26           HZ3      LYS  26 -11.826   0.117  -4.806
  198    H    GLU  27           HN       GLU  27  -7.176  -5.482  -4.058
  199    HA   GLU  27           HA       GLU  27  -5.527  -7.126  -2.354
  200    HB2  GLU  27           HB3      GLU  27  -6.662  -7.750  -5.085
  201    HB3  GLU  27           HB2      GLU  27  -5.981  -8.908  -3.953
  202    HG2  GLU  27           HG3      GLU  27  -8.524  -7.334  -3.653
  203    HG3  GLU  27           HG2      GLU  27  -8.352  -9.075  -3.857
  Start of MODEL    6
    1    H1   LEU   1           HT1      LEU   1  10.282  10.195  -6.625
    2    H2   LEU   1           HT2      LEU   1   9.455   9.437  -7.888
    3    H3   LEU   1           HT3      LEU   1  10.851   8.731  -7.249
    4    HA   LEU   1           HA       LEU   1   9.777   8.353  -5.157
    5    HB2  LEU   1           HB3      LEU   1   7.416   9.646  -6.521
    6    HB3  LEU   1           HB2      LEU   1   7.303   8.745  -5.021
    7    HG   LEU   1           HG       LEU   1   8.920  11.263  -5.417
    8   HD11  LEU   1          HD11      LEU   1   6.528  11.698  -5.489
    9   HD12  LEU   1          HD12      LEU   1   7.235  12.313  -3.995
   10   HD13  LEU   1          HD13      LEU   1   6.312  10.811  -3.983
   11   HD21  LEU   1          HD21      LEU   1   9.912   9.820  -3.748
   12   HD22  LEU   1          HD22      LEU   1   8.349   9.625  -2.955
   13   HD23  LEU   1          HD23      LEU   1   9.139  11.200  -2.970
   14    H    ASN   2           HN       ASN   2  10.628   6.611  -6.752
   15    HA   ASN   2           HA       ASN   2   8.369   4.793  -7.270
   16    HB2  ASN   2           HB3      ASN   2  10.874   5.155  -8.934
   17    HB3  ASN   2           HB2      ASN   2   9.802   3.771  -9.090
   18   HD21  ASN   2          HD21      ASN   2   7.361   5.232  -8.720
   19   HD22  ASN   2          HD22      ASN   2   7.124   6.183 -10.145
   20    H    ASN   3           HN       ASN   3   9.834   5.121  -4.891
   21    HA   ASN   3           HA       ASN   3  11.738   2.890  -4.840
   22    HB2  ASN   3           HB3      ASN   3  11.206   5.089  -2.824
   23    HB3  ASN   3           HB2      ASN   3  12.423   3.830  -2.645
   24   HD21  ASN   3          HD21      ASN   3  14.299   3.933  -3.855
   25   HD22  ASN   3          HD22      ASN   3  14.756   5.345  -4.744
   26    HA   PRO   4           HA       PRO   4   9.089   0.078  -2.682
   27    HB2  PRO   4           HB3      PRO   4  10.820  -0.621  -0.593
   28    HB3  PRO   4           HB2      PRO   4  10.728  -1.407  -2.170
   29    HG2  PRO   4           HG3      PRO   4  12.624   0.675  -1.195
   30    HG3  PRO   4           HG2      PRO   4  12.922  -0.698  -2.277
   31    HD2  PRO   4           HD3      PRO   4  12.719   1.790  -3.224
   32    HD3  PRO   4           HD2      PRO   4  12.047   0.414  -4.122
   33    H    CYS   5           HN       CYS   5   7.620   0.148  -1.055
   34    HA   CYS   5           HA       CYS   5   7.282   2.596   0.296
   35    HB2  CYS   5           HB3      CYS   5   5.335   1.394  -0.295
   36    HB3  CYS   5           HB2      CYS   5   5.881  -0.057   0.534
   37    H    ASN   6           HN       ASN   6   8.055   3.307   2.103
   38    HA   ASN   6           HA       ASN   6   8.418   1.592   4.394
   39    HB2  ASN   6           HB3      ASN   6  10.594   1.422   3.100
   40    HB3  ASN   6           HB2      ASN   6  10.816   3.143   3.390
   41   HD21  ASN   6          HD21      ASN   6  10.816  -0.024   4.785
   42   HD22  ASN   6          HD22      ASN   6  11.524   0.421   6.300
   43    H    GLY   7           HN       GLY   7   6.586   3.183   4.628
   44    HA2  GLY   7           HA3      GLY   7   7.478   5.340   6.318
   45    HA3  GLY   7           HA2      GLY   7   6.690   5.883   4.843
   46    H    VAL   8           HN       VAL   8   4.495   5.304   4.476
   47    HA   VAL   8           HA       VAL   8   2.902   5.168   6.845
   48    HB   VAL   8           HB       VAL   8   2.046   4.848   3.959
   49   HG11  VAL   8          HG11      VAL   8   0.412   3.943   5.533
   50   HG12  VAL   8          HG12      VAL   8  -0.188   5.416   4.772
   51   HG13  VAL   8          HG13      VAL   8   0.421   5.465   6.425
   52   HG21  VAL   8          HG21      VAL   8   2.052   7.292   5.726
   53   HG22  VAL   8          HG22      VAL   8   1.379   7.202   4.099
   54   HG23  VAL   8          HG23      VAL   8   3.112   7.005   4.349
   55    H    THR   9           HN       THR   9   2.420   3.390   7.934
   56    HA   THR   9           HA       THR   9   2.999   0.788   6.861
   57    HB   THR   9           HB       THR   9   1.624   1.442   9.473
   58    HG1  THR   9           HG1      THR   9   3.977   1.075  10.171
   59   HG21  THR   9          HG21      THR   9   1.523  -0.911   8.786
   60   HG22  THR   9          HG22      THR   9   2.563  -0.701  10.194
   61   HG23  THR   9          HG23      THR   9   3.276  -0.934   8.598
   62    H    CYS  10           HN       CYS  10   1.629  -0.065   5.437
   63    HA   CYS  10           HA       CYS  10  -1.177   0.554   5.470
   64    HB2  CYS  10           HB3      CYS  10   0.573  -1.152   3.729
   65    HB3  CYS  10           HB2      CYS  10  -1.176  -1.250   3.608
   66    HA   PRO  11           HA       PRO  11  -2.607  -2.611   8.194
   67    HB2  PRO  11           HB3      PRO  11  -4.997  -3.165   6.887
   68    HB3  PRO  11           HB2      PRO  11  -4.754  -1.873   8.067
   69    HG2  PRO  11           HG3      PRO  11  -4.719  -1.744   5.076
   70    HG3  PRO  11           HG2      PRO  11  -5.409  -0.596   6.242
   71    HD2  PRO  11           HD3      PRO  11  -3.085  -0.097   5.037
   72    HD3  PRO  11           HD2      PRO  11  -3.328   0.320   6.747
   73    H    SER  12           HN       SER  12  -3.825  -3.512   4.979
   74    HA   SER  12           HA       SER  12  -3.063  -6.255   5.401
   75    HB2  SER  12           HB3      SER  12  -4.137  -5.071   2.841
   76    HB3  SER  12           HB2      SER  12  -4.306  -6.724   3.437
   77    HG   SER  12           HG       SER  12  -6.121  -6.066   4.261
   78    H    GLY  13           HN       GLY  13  -1.934  -7.426   3.551
   79    HA2  GLY  13           HA3      GLY  13   0.600  -6.040   3.193
   80    HA3  GLY  13           HA2      GLY  13   0.314  -7.760   2.986
   81    H    TYR  14           HN       TYR  14  -1.327  -4.972   1.514
   82    HA   TYR  14           HA       TYR  14  -0.864  -6.164  -1.096
   83    HB2  TYR  14           HB3      TYR  14  -2.265  -4.042  -1.784
   84    HB3  TYR  14           HB2      TYR  14  -3.017  -5.493  -1.164
   85    HD1  TYR  14           HD2      TYR  14  -1.350  -2.647   0.619
   86    HD2  TYR  14           HD1      TYR  14  -4.926  -4.853  -0.048
   87    HE1  TYR  14           HE2      TYR  14  -2.514  -1.285   2.291
   88    HE2  TYR  14           HE1      TYR  14  -6.088  -3.470   1.628
   89    HH   TYR  14           HH       TYR  14  -5.619  -2.073   3.502
   90    H    ARG  15           HN       ARG  15  -1.117  -2.759  -1.090
   91    HA   ARG  15           HA       ARG  15   1.758  -2.380  -1.228
   92    HB2  ARG  15           HB3      ARG  15   1.479  -1.138  -3.434
   93    HB3  ARG  15           HB2      ARG  15   1.409  -2.893  -3.510
   94    HG2  ARG  15           HG2      ARG  15  -0.916  -2.894  -3.810
   95    HG3  ARG  15           HG1      ARG  15  -1.058  -1.209  -3.314
   96    HD2  ARG  15           HD3      ARG  15   0.350  -2.168  -5.798
   97    HD3  ARG  15           HD2      ARG  15  -1.293  -1.528  -5.751
   98    HE   ARG  15           HE       ARG  15   1.008   0.083  -4.866
   99   HH11  ARG  15          HH11      ARG  15  -1.845  -0.321  -6.864
  100   HH12  ARG  15          HH12      ARG  15  -1.787   1.297  -7.488
  101   HH21  ARG  15          HH21      ARG  15   1.087   2.203  -5.685
  102   HH22  ARG  15          HH22      ARG  15  -0.124   2.737  -6.809
  103    H    CYS  16           HN       CYS  16   2.370  -0.152  -1.206
  104    HA   CYS  16           HA       CYS  16   0.448   1.482   0.237
  105    HB2  CYS  16           HB3      CYS  16   3.355   2.022  -0.403
  106    HB3  CYS  16           HB2      CYS  16   2.345   2.959   0.688
  107    H    SER  17           HN       SER  17  -0.898   2.613  -0.997
  108    HA   SER  17           HA       SER  17  -0.146   3.504  -3.642
  109    HB2  SER  17           HB3      SER  17  -2.454   2.630  -2.917
  110    HB3  SER  17           HB2      SER  17  -2.685   4.217  -2.189
  111    HG   SER  17           HG       SER  17  -3.497   4.120  -4.336
  112    H    ILE  18           HN       ILE  18   1.628   4.668  -2.092
  113    HA   ILE  18           HA       ILE  18   0.861   7.017  -0.715
  114    HB   ILE  18           HB       ILE  18   3.580   6.460  -1.918
  115   HG12  ILE  18          HG12      ILE  18   2.832   4.538  -0.581
  116   HG13  ILE  18          HG11      ILE  18   4.158   5.387   0.205
  117   HG21  ILE  18          HG21      ILE  18   4.418   7.850  -0.103
  118   HG22  ILE  18          HG22      ILE  18   2.775   8.089   0.490
  119   HG23  ILE  18          HG23      ILE  18   3.248   8.741  -1.079
  120   HD11  ILE  18          HD11      ILE  18   2.546   6.493   1.688
  121   HD12  ILE  18          HD12      ILE  18   2.492   4.736   1.824
  122   HD13  ILE  18          HD13      ILE  18   1.242   5.588   0.920
  123    H    VAL  19           HN       VAL  19   1.182   6.318  -4.019
  124    HA   VAL  19           HA       VAL  19   1.775   8.980  -4.904
  125    HB   VAL  19           HB       VAL  19   1.270   8.139  -7.144
  126   HG11  VAL  19          HG11      VAL  19   2.956   6.313  -5.445
  127   HG12  VAL  19          HG12      VAL  19   3.487   7.767  -6.295
  128   HG13  VAL  19          HG13      VAL  19   2.989   6.343  -7.208
  129   HG21  VAL  19          HG21      VAL  19   0.435   5.615  -5.736
  130   HG22  VAL  19          HG22      VAL  19   0.699   5.756  -7.472
  131   HG23  VAL  19          HG23      VAL  19  -0.592   6.676  -6.698
  132    H    ASP  20           HN       ASP  20  -1.077   7.015  -4.474
  133    HA   ASP  20           HA       ASP  20  -2.858   9.122  -5.400
  134    HB2  ASP  20           HB3      ASP  20  -3.388   6.851  -6.058
  135    HB3  ASP  20           HB2      ASP  20  -3.373   6.317  -4.380
  136    H    LYS  21           HN       LYS  21  -2.427   7.183  -2.458
  137    HA   LYS  21           HA       LYS  21  -2.855   9.469  -0.773
  138    HB2  LYS  21           HB3      LYS  21  -4.690   8.258   0.536
  139    HB3  LYS  21           HB2      LYS  21  -5.154   9.008  -0.981
  140    HG2  LYS  21           HG3      LYS  21  -5.228   6.901  -2.091
  141    HG3  LYS  21           HG2      LYS  21  -4.501   6.084  -0.704
  142    HD2  LYS  21           HD3      LYS  21  -6.439   6.434   0.625
  143    HD3  LYS  21           HD2      LYS  21  -7.129   7.544  -0.558
  144    HE2  LYS  21           HE3      LYS  21  -6.588   4.632  -1.106
  145    HE3  LYS  21           HE2      LYS  21  -8.138   5.248  -0.533
  146    HZ1  LYS  21           HZ1      LYS  21  -6.796   6.068  -3.059
  147    HZ2  LYS  21           HZ2      LYS  21  -8.308   6.599  -2.512
  148    HZ3  LYS  21           HZ3      LYS  21  -8.091   4.978  -2.941
  149    H    GLN  22           HN       GLN  22  -3.736   6.906   1.086
  150    HA   GLN  22           HA       GLN  22  -0.982   6.442   1.920
  151    HB2  GLN  22           HB3      GLN  22  -2.824   4.953   3.513
  152    HB3  GLN  22           HB2      GLN  22  -1.825   6.320   3.979
  153    HG2  GLN  22           HG2      GLN  22  -3.902   7.097   4.510
  154    HG3  GLN  22           HG1      GLN  22  -3.722   7.717   2.872
  155   HE21  GLN  22          HE21      GLN  22  -6.109   7.099   4.455
  156   HE22  GLN  22          HE22      GLN  22  -7.032   5.995   3.494
  157    H    CYS  23           HN       CYS  23  -3.841   4.377   1.458
  158    HA   CYS  23           HA       CYS  23  -2.137   2.320   0.270
  159    HB2  CYS  23           HB3      CYS  23  -4.173   1.763   2.443
  160    HB3  CYS  23           HB2      CYS  23  -3.096   0.602   1.681
  161    H    ILE  24           HN       ILE  24  -3.388   0.755  -0.949
  162    HA   ILE  24           HA       ILE  24  -5.544   2.095  -2.347
  163    HB   ILE  24           HB       ILE  24  -5.285  -0.335  -3.575
  164   HG12  ILE  24          HG12      ILE  24  -2.770  -0.571  -3.836
  165   HG13  ILE  24          HG11      ILE  24  -2.615   0.443  -2.420
  166   HG21  ILE  24          HG21      ILE  24  -3.909   0.886  -5.251
  167   HG22  ILE  24          HG22      ILE  24  -3.849   2.242  -4.126
  168   HG23  ILE  24          HG23      ILE  24  -5.396   1.706  -4.775
  169   HD11  ILE  24          HD11      ILE  24  -3.812  -1.182  -1.107
  170   HD12  ILE  24          HD12      ILE  24  -2.435  -1.930  -1.909
  171   HD13  ILE  24          HD13      ILE  24  -4.063  -2.183  -2.534
  172    H    LYS  25           HN       LYS  25  -5.301  -0.168   0.118
  173    HA   LYS  25           HA       LYS  25  -6.625  -1.717   1.066
  174    HB2  LYS  25           HB3      LYS  25  -8.483   0.400   0.167
  175    HB3  LYS  25           HB2      LYS  25  -9.175  -1.092   0.755
  176    HG2  LYS  25           HG3      LYS  25  -9.094   0.382   2.594
  177    HG3  LYS  25           HG2      LYS  25  -7.805  -0.795   2.835
  178    HD2  LYS  25           HD3      LYS  25  -6.895   1.317   3.383
  179    HD3  LYS  25           HD2      LYS  25  -6.237   0.884   1.803
  180    HE2  LYS  25           HE3      LYS  25  -6.915   3.229   1.858
  181    HE3  LYS  25           HE2      LYS  25  -7.900   2.314   0.718
  182    HZ1  LYS  25           HZ1      LYS  25  -9.675   2.238   2.325
  183    HZ2  LYS  25           HZ2      LYS  25  -9.211   3.845   2.087
  184    HZ3  LYS  25           HZ3      LYS  25  -8.725   3.024   3.482
  185    H    LYS  26           HN       LYS  26  -5.709  -2.679  -1.320
  186    HA   LYS  26           HA       LYS  26  -7.924  -3.800  -2.797
  187    HB2  LYS  26           HB3      LYS  26  -4.955  -4.349  -2.890
  188    HB3  LYS  26           HB2      LYS  26  -6.128  -5.141  -3.933
  189    HG2  LYS  26           HG3      LYS  26  -5.592  -2.183  -3.824
  190    HG3  LYS  26           HG2      LYS  26  -5.018  -3.293  -5.067
  191    HD2  LYS  26           HD3      LYS  26  -7.343  -3.805  -5.663
  192    HD3  LYS  26           HD2      LYS  26  -7.902  -2.677  -4.428
  193    HE2  LYS  26           HE3      LYS  26  -6.817  -0.837  -5.595
  194    HE3  LYS  26           HE2      LYS  26  -6.200  -1.954  -6.809
  195    HZ1  LYS  26           HZ1      LYS  26  -8.470  -2.465  -7.445
  196    HZ2  LYS  26           HZ2      LYS  26  -8.175  -0.808  -7.583
  197    HZ3  LYS  26           HZ3      LYS  26  -9.066  -1.398  -6.275
  198    H    GLU  27           HN       GLU  27  -8.730  -4.513  -0.565
  199    HA   GLU  27           HA       GLU  27  -7.537  -6.955   0.439
  200    HB2  GLU  27           HB3      GLU  27  -8.516  -5.190   1.938
  201    HB3  GLU  27           HB2      GLU  27 -10.098  -5.598   1.294
  202    HG2  GLU  27           HG3      GLU  27  -9.878  -6.710   3.366
  203    HG3  GLU  27           HG2      GLU  27  -9.735  -7.933   2.106
  Start of MODEL    7
    1    H1   LEU   1           HT1      LEU   1  13.561  10.990   5.602
    2    H2   LEU   1           HT2      LEU   1  13.944  11.668   4.104
    3    H3   LEU   1           HT3      LEU   1  15.158  10.974   5.054
    4    HA   LEU   1           HA       LEU   1  14.499   9.562   3.197
    5    HB2  LEU   1           HB3      LEU   1  14.232   7.503   4.461
    6    HB3  LEU   1           HB2      LEU   1  15.424   8.537   5.216
    7    HG   LEU   1           HG       LEU   1  12.599   8.536   6.225
    8   HD11  LEU   1          HD11      LEU   1  13.212   6.764   7.799
    9   HD12  LEU   1          HD12      LEU   1  14.755   6.563   6.969
   10   HD13  LEU   1          HD13      LEU   1  13.248   6.191   6.132
   11   HD21  LEU   1          HD21      LEU   1  15.250   8.911   7.614
   12   HD22  LEU   1          HD22      LEU   1  13.646   9.173   8.299
   13   HD23  LEU   1          HD23      LEU   1  14.240  10.224   7.015
   14    H    ASN   2           HN       ASN   2  12.934   8.539   2.042
   15    HA   ASN   2           HA       ASN   2  10.187   8.543   3.026
   16    HB2  ASN   2           HB3      ASN   2   9.300   9.583   1.008
   17    HB3  ASN   2           HB2      ASN   2  10.451  10.676   1.768
   18   HD21  ASN   2          HD21      ASN   2   9.721   8.771  -1.005
   19   HD22  ASN   2          HD22      ASN   2  11.073   9.263  -1.963
   20    H    ASN   3           HN       ASN   3   8.791   7.145   1.664
   21    HA   ASN   3           HA       ASN   3  10.229   5.331  -0.091
   22    HB2  ASN   3           HB3      ASN   3   9.616   3.327   1.106
   23    HB3  ASN   3           HB2      ASN   3  10.522   4.378   2.187
   24   HD21  ASN   3          HD21      ASN   3   9.497   5.287   3.945
   25   HD22  ASN   3          HD22      ASN   3   7.931   4.780   4.479
   26    HA   PRO   4           HA       PRO   4   6.170   5.057  -1.944
   27    HB2  PRO   4           HB3      PRO   4   6.935   2.565  -3.208
   28    HB3  PRO   4           HB2      PRO   4   6.701   4.147  -3.947
   29    HG2  PRO   4           HG3      PRO   4   9.138   2.932  -3.720
   30    HG3  PRO   4           HG2      PRO   4   8.916   4.687  -3.800
   31    HD2  PRO   4           HD3      PRO   4   9.424   2.941  -1.429
   32    HD3  PRO   4           HD2      PRO   4  10.048   4.565  -1.796
   33    H    CYS   5           HN       CYS   5   7.571   1.899  -1.006
   34    HA   CYS   5           HA       CYS   5   5.338   1.408   0.786
   35    HB2  CYS   5           HB3      CYS   5   4.700   0.620  -1.551
   36    HB3  CYS   5           HB2      CYS   5   5.959  -0.590  -1.379
   37    H    ASN   6           HN       ASN   6   8.139   1.832   1.088
   38    HA   ASN   6           HA       ASN   6   9.286  -0.791   1.664
   39    HB2  ASN   6           HB3      ASN   6  10.550   1.942   1.972
   40    HB3  ASN   6           HB2      ASN   6  11.370   0.399   2.130
   41   HD21  ASN   6          HD21      ASN   6  12.834   0.893   0.531
   42   HD22  ASN   6          HD22      ASN   6  12.406   0.926  -1.145
   43    H    GLY   7           HN       GLY   7   7.059   0.434   3.217
   44    HA2  GLY   7           HA3      GLY   7   8.122  -0.162   5.833
   45    HA3  GLY   7           HA2      GLY   7   7.558   1.492   5.625
   46    H    VAL   8           HN       VAL   8   6.567  -0.875   7.214
   47    HA   VAL   8           HA       VAL   8   4.019  -1.499   6.032
   48    HB   VAL   8           HB       VAL   8   4.965  -2.071   8.847
   49   HG11  VAL   8          HG11      VAL   8   2.539  -2.214   8.591
   50   HG12  VAL   8          HG12      VAL   8   3.244  -3.813   8.827
   51   HG13  VAL   8          HG13      VAL   8   2.741  -3.301   7.216
   52   HG21  VAL   8          HG21      VAL   8   5.100  -3.802   6.378
   53   HG22  VAL   8          HG22      VAL   8   5.528  -4.304   8.015
   54   HG23  VAL   8          HG23      VAL   8   6.472  -3.056   7.200
   55    H    THR   9           HN       THR   9   3.301   0.685   5.772
   56    HA   THR   9           HA       THR   9   2.113   1.771   8.235
   57    HB   THR   9           HB       THR   9   3.633   3.372   7.176
   58    HG1  THR   9           HG1      THR   9   0.860   3.935   7.020
   59   HG21  THR   9          HG21      THR   9   2.012   2.767   4.771
   60   HG22  THR   9          HG22      THR   9   3.761   2.785   4.942
   61   HG23  THR   9          HG23      THR   9   2.859   4.302   4.907
   62    H    CYS  10           HN       CYS  10   1.160  -0.400   6.742
   63    HA   CYS  10           HA       CYS  10  -1.452   0.594   5.917
   64    HB2  CYS  10           HB3      CYS  10   0.355  -1.160   4.248
   65    HB3  CYS  10           HB2      CYS  10  -1.374  -1.011   3.945
   66    HA   PRO  11           HA       PRO  11  -3.021  -2.626   8.480
   67    HB2  PRO  11           HB3      PRO  11  -5.314  -3.129   6.999
   68    HB3  PRO  11           HB2      PRO  11  -5.141  -1.841   8.196
   69    HG2  PRO  11           HG3      PRO  11  -4.837  -1.710   5.213
   70    HG3  PRO  11           HG2      PRO  11  -5.650  -0.572   6.311
   71    HD2  PRO  11           HD3      PRO  11  -3.241  -0.031   5.359
   72    HD3  PRO  11           HD2      PRO  11  -3.626   0.320   7.060
   73    H    SER  12           HN       SER  12  -2.621  -3.076   5.055
   74    HA   SER  12           HA       SER  12  -2.073  -5.907   5.507
   75    HB2  SER  12           HB3      SER  12  -3.789  -4.858   3.239
   76    HB3  SER  12           HB2      SER  12  -3.321  -6.539   3.493
   77    HG   SER  12           HG       SER  12  -4.379  -5.898   5.733
   78    H    GLY  13           HN       GLY  13  -0.698  -6.823   3.838
   79    HA2  GLY  13           HA3      GLY  13   1.208  -4.827   2.923
   80    HA3  GLY  13           HA2      GLY  13   1.438  -6.570   2.925
   81    H    TYR  14           HN       TYR  14  -1.160  -4.627   1.509
   82    HA   TYR  14           HA       TYR  14  -0.826  -5.986  -0.997
   83    HB2  TYR  14           HB3      TYR  14  -2.663  -4.240  -1.692
   84    HB3  TYR  14           HB2      TYR  14  -3.054  -5.675  -0.769
   85    HD1  TYR  14           HD2      TYR  14  -1.507  -2.585   0.648
   86    HD2  TYR  14           HD1      TYR  14  -5.023  -4.935   0.228
   87    HE1  TYR  14           HE2      TYR  14  -2.650  -1.195   2.330
   88    HE2  TYR  14           HE1      TYR  14  -6.158  -3.546   1.895
   89    HH   TYR  14           HH       TYR  14  -5.664  -2.073   3.694
   90    H    ARG  15           HN       ARG  15  -1.536  -2.582  -1.114
   91    HA   ARG  15           HA       ARG  15   1.154  -2.105  -2.153
   92    HB2  ARG  15           HB3      ARG  15  -1.395  -1.484  -3.600
   93    HB3  ARG  15           HB2      ARG  15   0.138  -0.731  -4.000
   94    HG2  ARG  15           HG2      ARG  15   1.098  -2.861  -4.548
   95    HG3  ARG  15           HG1      ARG  15  -0.365  -3.684  -4.007
   96    HD2  ARG  15           HD3      ARG  15  -0.194  -1.729  -6.294
   97    HD3  ARG  15           HD2      ARG  15  -0.262  -3.483  -6.457
   98    HE   ARG  15           HE       ARG  15  -2.462  -3.072  -5.076
   99   HH11  ARG  15          HH11      ARG  15  -1.211  -1.261  -7.794
  100   HH12  ARG  15          HH12      ARG  15  -2.779  -0.782  -8.366
  101   HH21  ARG  15          HH21      ARG  15  -4.527  -2.473  -5.834
  102   HH22  ARG  15          HH22      ARG  15  -4.671  -1.475  -7.245
  103    H    CYS  16           HN       CYS  16   2.004  -0.306  -1.526
  104    HA   CYS  16           HA       CYS  16   0.438   1.469   0.159
  105    HB2  CYS  16           HB3      CYS  16   3.374   1.689  -0.519
  106    HB3  CYS  16           HB2      CYS  16   2.531   2.420   0.839
  107    H    SER  17           HN       SER  17  -0.878   2.394  -1.425
  108    HA   SER  17           HA       SER  17   0.253   3.659  -3.734
  109    HB2  SER  17           HB3      SER  17  -2.126   4.425  -4.080
  110    HB3  SER  17           HB2      SER  17  -1.908   2.675  -3.972
  111    HG   SER  17           HG       SER  17  -2.539   4.228  -1.692
  112    H    ILE  18           HN       ILE  18   1.493   4.702  -1.552
  113    HA   ILE  18           HA       ILE  18   0.313   6.990  -0.390
  114    HB   ILE  18           HB       ILE  18   3.263   6.433  -0.779
  115   HG12  ILE  18          HG12      ILE  18   2.179   4.522   0.288
  116   HG13  ILE  18          HG11      ILE  18   3.182   5.381   1.449
  117   HG21  ILE  18          HG21      ILE  18   2.821   8.714  -0.076
  118   HG22  ILE  18          HG22      ILE  18   3.552   7.800   1.242
  119   HG23  ILE  18          HG23      ILE  18   1.820   8.130   1.253
  120   HD11  ILE  18          HD11      ILE  18   0.188   5.554   1.214
  121   HD12  ILE  18          HD12      ILE  18   1.177   6.459   2.358
  122   HD13  ILE  18          HD13      ILE  18   1.099   4.702   2.461
  123    H    VAL  19           HN       VAL  19   1.680   6.400  -3.443
  124    HA   VAL  19           HA       VAL  19   2.363   9.111  -4.078
  125    HB   VAL  19           HB       VAL  19   2.545   8.267  -6.409
  126   HG11  VAL  19          HG11      VAL  19   3.960   6.635  -4.309
  127   HG12  VAL  19          HG12      VAL  19   4.468   8.210  -4.923
  128   HG13  VAL  19          HG13      VAL  19   4.476   6.804  -5.988
  129   HG21  VAL  19          HG21      VAL  19   1.847   5.591  -5.217
  130   HG22  VAL  19          HG22      VAL  19   2.342   5.898  -6.879
  131   HG23  VAL  19          HG23      VAL  19   0.807   6.533  -6.283
  132    H    ASP  20           HN       ASP  20  -0.385   7.017  -4.448
  133    HA   ASP  20           HA       ASP  20  -1.874   8.915  -6.062
  134    HB2  ASP  20           HB3      ASP  20  -1.994   6.339  -6.238
  135    HB3  ASP  20           HB2      ASP  20  -2.974   6.419  -4.783
  136    H    LYS  21           HN       LYS  21  -2.162   7.386  -2.887
  137    HA   LYS  21           HA       LYS  21  -3.316   9.709  -1.666
  138    HB2  LYS  21           HB3      LYS  21  -5.431   8.426  -1.004
  139    HB3  LYS  21           HB2      LYS  21  -5.353   9.011  -2.660
  140    HG2  LYS  21           HG3      LYS  21  -4.782   6.820  -3.467
  141    HG3  LYS  21           HG2      LYS  21  -4.677   6.200  -1.818
  142    HD2  LYS  21           HD3      LYS  21  -7.035   6.548  -1.489
  143    HD3  LYS  21           HD2      LYS  21  -7.175   7.340  -3.059
  144    HE2  LYS  21           HE3      LYS  21  -6.688   5.311  -4.211
  145    HE3  LYS  21           HE2      LYS  21  -6.261   4.493  -2.709
  146    HZ1  LYS  21           HZ1      LYS  21  -8.467   3.866  -3.436
  147    HZ2  LYS  21           HZ2      LYS  21  -8.960   5.482  -3.453
  148    HZ3  LYS  21           HZ3      LYS  21  -8.569   4.735  -1.990
  149    H    GLN  22           HN       GLN  22  -4.688   7.379   0.073
  150    HA   GLN  22           HA       GLN  22  -2.412   6.926   1.792
  151    HB2  GLN  22           HB3      GLN  22  -4.075   5.723   3.210
  152    HB3  GLN  22           HB2      GLN  22  -4.557   7.371   2.838
  153    HG2  GLN  22           HG2      GLN  22  -6.076   6.545   1.113
  154    HG3  GLN  22           HG1      GLN  22  -5.584   4.891   1.471
  155   HE21  GLN  22          HE21      GLN  22  -7.437   7.616   2.506
  156   HE22  GLN  22          HE22      GLN  22  -8.282   6.815   3.786
  157    H    CYS  23           HN       CYS  23  -3.829   4.156   2.331
  158    HA   CYS  23           HA       CYS  23  -2.350   2.726   0.254
  159    HB2  CYS  23           HB3      CYS  23  -2.712   2.212   2.982
  160    HB3  CYS  23           HB2      CYS  23  -3.707   1.009   2.161
  161    H    ILE  24           HN       ILE  24  -3.441   0.909  -0.871
  162    HA   ILE  24           HA       ILE  24  -5.816   2.062  -1.992
  163    HB   ILE  24           HB       ILE  24  -5.628  -0.105  -3.469
  164   HG12  ILE  24          HG12      ILE  24  -3.169  -0.598  -3.834
  165   HG13  ILE  24          HG11      ILE  24  -2.861   0.112  -2.266
  166   HG21  ILE  24          HG21      ILE  24  -5.467   2.107  -4.336
  167   HG22  ILE  24          HG22      ILE  24  -4.124   1.160  -4.977
  168   HG23  ILE  24          HG23      ILE  24  -3.850   2.305  -3.664
  169   HD11  ILE  24          HD11      ILE  24  -4.321  -1.536  -1.230
  170   HD12  ILE  24          HD12      ILE  24  -3.011  -2.295  -2.132
  171   HD13  ILE  24          HD13      ILE  24  -4.637  -2.246  -2.811
  172    H    LYS  25           HN       LYS  25  -5.414  -0.233   0.436
  173    HA   LYS  25           HA       LYS  25  -6.738  -1.861   1.335
  174    HB2  LYS  25           HB3      LYS  25  -8.569   0.387   0.657
  175    HB3  LYS  25           HB2      LYS  25  -9.227  -1.077   1.347
  176    HG2  LYS  25           HG3      LYS  25  -8.872   0.499   3.099
  177    HG3  LYS  25           HG2      LYS  25  -7.695  -0.803   3.273
  178    HD2  LYS  25           HD3      LYS  25  -5.979   0.585   2.265
  179    HD3  LYS  25           HD2      LYS  25  -7.152   1.875   1.994
  180    HE2  LYS  25           HE3      LYS  25  -6.344   0.778   4.684
  181    HE3  LYS  25           HE2      LYS  25  -5.752   2.279   3.975
  182    HZ1  LYS  25           HZ1      LYS  25  -7.562   2.636   5.560
  183    HZ2  LYS  25           HZ2      LYS  25  -8.598   1.708   4.600
  184    HZ3  LYS  25           HZ3      LYS  25  -7.973   3.167   4.007
  185    H    LYS  26           HN       LYS  26  -6.095  -3.047  -0.840
  186    HA   LYS  26           HA       LYS  26  -8.631  -3.993  -2.003
  187    HB2  LYS  26           HB3      LYS  26  -5.976  -3.638  -3.396
  188    HB3  LYS  26           HB2      LYS  26  -7.348  -4.481  -4.096
  189    HG2  LYS  26           HG3      LYS  26  -7.396  -1.597  -3.232
  190    HG3  LYS  26           HG2      LYS  26  -7.077  -2.143  -4.881
  191    HD2  LYS  26           HD3      LYS  26  -9.274  -3.193  -4.973
  192    HD3  LYS  26           HD2      LYS  26  -9.590  -2.712  -3.308
  193    HE2  LYS  26           HE3      LYS  26  -9.031  -0.770  -5.542
  194    HE3  LYS  26           HE2      LYS  26 -10.650  -1.252  -5.042
  195    HZ1  LYS  26           HZ1      LYS  26  -8.664  -0.007  -3.216
  196    HZ2  LYS  26           HZ2      LYS  26 -10.300  -0.303  -2.904
  197    HZ3  LYS  26           HZ3      LYS  26  -9.856   0.857  -4.048
  198    H    GLU  27           HN       GLU  27  -7.826  -5.221   0.216
  199    HA   GLU  27           HA       GLU  27  -7.153  -7.859  -0.807
  200    HB2  GLU  27           HB3      GLU  27  -5.009  -6.868   0.005
  201    HB3  GLU  27           HB2      GLU  27  -5.727  -6.697   1.597
  202    HG2  GLU  27           HG3      GLU  27  -5.957  -9.085   1.773
  203    HG3  GLU  27           HG2      GLU  27  -5.329  -9.297   0.144
  Start of MODEL    8
    1    H1   LEU   1           HT1      LEU   1   9.599 -10.965   0.904
    2    H2   LEU   1           HT2      LEU   1   8.494 -11.978   0.125
    3    H3   LEU   1           HT3      LEU   1   7.946 -10.616   0.957
    4    HA   LEU   1           HA       LEU   1   9.660 -10.581  -1.452
    5    HB2  LEU   1           HB3      LEU   1   6.739  -9.897  -1.087
    6    HB3  LEU   1           HB2      LEU   1   7.657  -9.618  -2.553
    7    HG   LEU   1           HG       LEU   1   7.067 -12.323  -1.348
    8   HD11  LEU   1          HD11      LEU   1   5.083 -11.265  -2.284
    9   HD12  LEU   1          HD12      LEU   1   5.608 -12.623  -3.278
   10   HD13  LEU   1          HD13      LEU   1   5.944 -10.971  -3.795
   11   HD21  LEU   1          HD21      LEU   1   7.974 -13.191  -3.465
   12   HD22  LEU   1          HD22      LEU   1   9.186 -12.333  -2.516
   13   HD23  LEU   1          HD23      LEU   1   8.448 -11.554  -3.914
   14    H    ASN   2           HN       ASN   2  11.025  -8.939  -1.174
   15    HA   ASN   2           HA       ASN   2  10.161  -6.595   0.348
   16    HB2  ASN   2           HB3      ASN   2  12.883  -7.494  -0.611
   17    HB3  ASN   2           HB2      ASN   2  12.600  -5.938   0.160
   18   HD21  ASN   2          HD21      ASN   2  13.912  -6.401   1.897
   19   HD22  ASN   2          HD22      ASN   2  13.472  -7.536   3.123
   20    H    ASN   3           HN       ASN   3   8.857  -6.768  -1.988
   21    HA   ASN   3           HA       ASN   3  10.087  -5.405  -4.153
   22    HB2  ASN   3           HB3      ASN   3   7.809  -5.201  -5.049
   23    HB3  ASN   3           HB2      ASN   3   8.098  -6.827  -4.451
   24   HD21  ASN   3          HD21      ASN   3   6.309  -3.910  -4.062
   25   HD22  ASN   3          HD22      ASN   3   5.210  -4.500  -2.862
   26    HA   PRO   4           HA       PRO   4   9.958  -1.195  -2.889
   27    HB2  PRO   4           HB3      PRO   4   9.300   0.063  -5.223
   28    HB3  PRO   4           HB2      PRO   4  10.900  -0.600  -4.882
   29    HG2  PRO   4           HG3      PRO   4   8.661  -1.782  -6.470
   30    HG3  PRO   4           HG2      PRO   4  10.396  -1.758  -6.831
   31    HD2  PRO   4           HD3      PRO   4   9.180  -3.938  -5.824
   32    HD3  PRO   4           HD2      PRO   4  10.847  -3.511  -5.395
   33    H    CYS   5           HN       CYS   5   7.892  -1.932  -1.686
   34    HA   CYS   5           HA       CYS   5   5.429  -0.787  -2.661
   35    HB2  CYS   5           HB3      CYS   5   5.821  -2.785  -0.979
   36    HB3  CYS   5           HB2      CYS   5   5.920  -1.498   0.216
   37    H    ASN   6           HN       ASN   6   7.853  -0.046  -0.179
   38    HA   ASN   6           HA       ASN   6   8.461   1.872   0.865
   39    HB2  ASN   6           HB3      ASN   6   7.467   3.051  -1.735
   40    HB3  ASN   6           HB2      ASN   6   8.338   3.968  -0.513
   41   HD21  ASN   6          HD21      ASN   6  10.066   4.429  -1.793
   42   HD22  ASN   6          HD22      ASN   6  11.200   3.240  -2.333
   43    H    GLY   7           HN       GLY   7   6.283   1.078   2.033
   44    HA2  GLY   7           HA3      GLY   7   5.006   3.551   2.787
   45    HA3  GLY   7           HA2      GLY   7   3.924   2.411   2.003
   46    H    VAL   8           HN       VAL   8   4.910   3.482   4.924
   47    HA   VAL   8           HA       VAL   8   4.713   0.905   6.269
   48    HB   VAL   8           HB       VAL   8   5.091   2.142   8.358
   49   HG11  VAL   8          HG11      VAL   8   7.014   1.321   7.136
   50   HG12  VAL   8          HG12      VAL   8   7.398   2.866   7.897
   51   HG13  VAL   8          HG13      VAL   8   7.057   2.795   6.168
   52   HG21  VAL   8          HG21      VAL   8   3.969   4.234   7.701
   53   HG22  VAL   8          HG22      VAL   8   5.312   4.595   6.615
   54   HG23  VAL   8          HG23      VAL   8   5.583   4.515   8.355
   55    H    THR   9           HN       THR   9   2.757   3.551   5.380
   56    HA   THR   9           HA       THR   9   0.736   3.028   7.397
   57    HB   THR   9           HB       THR   9   0.516   4.933   5.067
   58    HG1  THR   9           HG1      THR   9   1.834   5.156   7.563
   59   HG21  THR   9          HG21      THR   9  -1.497   4.210   6.463
   60   HG22  THR   9          HG22      THR   9  -1.212   5.945   6.306
   61   HG23  THR   9          HG23      THR   9  -0.753   5.106   7.788
   62    H    CYS  10           HN       CYS  10   0.422   0.836   6.671
   63    HA   CYS  10           HA       CYS  10  -1.708   0.652   4.727
   64    HB2  CYS  10           HB3      CYS  10   0.922  -0.777   4.358
   65    HB3  CYS  10           HB2      CYS  10  -0.569  -1.333   3.600
   66    HA   PRO  11           HA       PRO  11  -2.929  -1.934   8.214
   67    HB2  PRO  11           HB3      PRO  11  -5.334  -2.625   7.039
   68    HB3  PRO  11           HB2      PRO  11  -5.070  -1.178   8.017
   69    HG2  PRO  11           HG3      PRO  11  -5.049  -1.481   5.031
   70    HG3  PRO  11           HG2      PRO  11  -5.772  -0.195   6.026
   71    HD2  PRO  11           HD3      PRO  11  -3.464   0.177   4.768
   72    HD3  PRO  11           HD2      PRO  11  -3.710   0.821   6.406
   73    H    SER  12           HN       SER  12  -2.999  -2.830   4.813
   74    HA   SER  12           HA       SER  12  -2.394  -5.599   5.599
   75    HB2  SER  12           HB3      SER  12  -4.006  -4.747   3.175
   76    HB3  SER  12           HB2      SER  12  -3.626  -6.403   3.644
   77    HG   SER  12           HG       SER  12  -5.425  -6.307   4.721
   78    H    GLY  13           HN       GLY  13  -1.130  -6.766   3.927
   79    HA2  GLY  13           HA3      GLY  13   0.955  -4.983   2.940
   80    HA3  GLY  13           HA2      GLY  13   1.063  -6.729   3.092
   81    H    TYR  14           HN       TYR  14  -1.275  -4.658   1.425
   82    HA   TYR  14           HA       TYR  14  -1.003  -6.275  -0.950
   83    HB2  TYR  14           HB3      TYR  14  -2.693  -4.388  -1.788
   84    HB3  TYR  14           HB2      TYR  14  -3.194  -5.820  -0.912
   85    HD1  TYR  14           HD2      TYR  14  -1.599  -2.756   0.536
   86    HD2  TYR  14           HD1      TYR  14  -5.127  -5.088   0.118
   87    HE1  TYR  14           HE2      TYR  14  -2.738  -1.354   2.212
   88    HE2  TYR  14           HE1      TYR  14  -6.260  -3.671   1.772
   89    HH   TYR  14           HH       TYR  14  -5.722  -2.214   3.597
   90    H    ARG  15           HN       ARG  15  -1.527  -2.877  -1.366
   91    HA   ARG  15           HA       ARG  15   1.188  -2.564  -2.397
   92    HB2  ARG  15           HB3      ARG  15  -1.346  -2.003  -3.912
   93    HB3  ARG  15           HB2      ARG  15   0.194  -1.280  -4.348
   94    HG2  ARG  15           HG2      ARG  15   1.154  -3.400  -4.814
   95    HG3  ARG  15           HG1      ARG  15  -0.237  -4.235  -4.119
   96    HD2  ARG  15           HD3      ARG  15  -0.449  -2.414  -6.505
   97    HD3  ARG  15           HD2      ARG  15  -0.126  -4.143  -6.651
   98    HE   ARG  15           HE       ARG  15  -2.319  -4.123  -5.120
   99   HH11  ARG  15          HH11      ARG  15  -1.585  -2.474  -8.122
  100   HH12  ARG  15          HH12      ARG  15  -3.236  -2.448  -8.656
  101   HH21  ARG  15          HH21      ARG  15  -4.471  -4.124  -5.827
  102   HH22  ARG  15          HH22      ARG  15  -4.881  -3.391  -7.346
  103    H    CYS  16           HN       CYS  16   2.055  -0.605  -2.065
  104    HA   CYS  16           HA       CYS  16   0.631   0.948  -0.071
  105    HB2  CYS  16           HB3      CYS  16   3.487   1.237  -1.044
  106    HB3  CYS  16           HB2      CYS  16   2.789   1.986   0.384
  107    H    SER  17           HN       SER  17  -0.816   2.139  -1.180
  108    HA   SER  17           HA       SER  17  -0.095   3.592  -3.548
  109    HB2  SER  17           HB3      SER  17  -2.357   2.560  -3.035
  110    HB3  SER  17           HB2      SER  17  -2.614   3.899  -1.921
  111    HG   SER  17           HG       SER  17  -3.493   4.434  -3.916
  112    H    ILE  18           HN       ILE  18   1.633   4.343  -1.613
  113    HA   ILE  18           HA       ILE  18   0.875   6.595  -0.071
  114    HB   ILE  18           HB       ILE  18   3.628   5.881  -1.107
  115   HG12  ILE  18          HG12      ILE  18   2.595   4.027   0.141
  116   HG13  ILE  18          HG11      ILE  18   3.956   4.718   1.015
  117   HG21  ILE  18          HG21      ILE  18   3.527   8.159  -0.275
  118   HG22  ILE  18          HG22      ILE  18   4.450   7.144   0.833
  119   HG23  ILE  18          HG23      ILE  18   2.793   7.598   1.226
  120   HD11  ILE  18          HD11      ILE  18   2.143   4.224   2.526
  121   HD12  ILE  18          HD12      ILE  18   1.040   5.212   1.570
  122   HD13  ILE  18          HD13      ILE  18   2.383   5.968   2.427
  123    H    VAL  19           HN       VAL  19   1.468   6.130  -3.363
  124    HA   VAL  19           HA       VAL  19   2.257   8.806  -4.014
  125    HB   VAL  19           HB       VAL  19   1.704   8.010  -6.390
  126   HG11  VAL  19          HG11      VAL  19   3.709   6.420  -4.786
  127   HG12  VAL  19          HG12      VAL  19   3.972   8.052  -5.407
  128   HG13  VAL  19          HG13      VAL  19   3.751   6.706  -6.527
  129   HG21  VAL  19          HG21      VAL  19   0.171   6.164  -5.546
  130   HG22  VAL  19          HG22      VAL  19   1.634   5.295  -5.086
  131   HG23  VAL  19          HG23      VAL  19   1.344   5.697  -6.776
  132    H    ASP  20           HN       ASP  20  -0.746   6.982  -3.941
  133    HA   ASP  20           HA       ASP  20  -2.268   9.262  -4.931
  134    HB2  ASP  20           HB3      ASP  20  -2.887   7.023  -5.712
  135    HB3  ASP  20           HB2      ASP  20  -3.176   6.511  -4.052
  136    H    LYS  21           HN       LYS  21  -2.085   7.229  -2.036
  137    HA   LYS  21           HA       LYS  21  -2.644   9.462  -0.316
  138    HB2  LYS  21           HB3      LYS  21  -4.590   8.285   0.801
  139    HB3  LYS  21           HB2      LYS  21  -4.928   8.973  -0.779
  140    HG2  LYS  21           HG3      LYS  21  -4.872   6.825  -1.812
  141    HG3  LYS  21           HG2      LYS  21  -4.262   6.072  -0.337
  142    HD2  LYS  21           HD3      LYS  21  -6.345   6.594   0.809
  143    HD3  LYS  21           HD2      LYS  21  -6.951   7.408  -0.634
  144    HE2  LYS  21           HE3      LYS  21  -6.930   5.337  -1.864
  145    HE3  LYS  21           HE2      LYS  21  -6.179   4.494  -0.511
  146    HZ1  LYS  21           HZ1      LYS  21  -8.164   4.907   0.797
  147    HZ2  LYS  21           HZ2      LYS  21  -8.553   4.076  -0.622
  148    HZ3  LYS  21           HZ3      LYS  21  -8.879   5.727  -0.497
  149    H    GLN  22           HN       GLN  22  -3.686   6.829   1.351
  150    HA   GLN  22           HA       GLN  22  -1.026   6.231   2.349
  151    HB2  GLN  22           HB3      GLN  22  -2.453   4.788   4.005
  152    HB3  GLN  22           HB2      GLN  22  -2.358   6.530   4.187
  153    HG2  GLN  22           HG2      GLN  22  -4.517   6.704   2.954
  154    HG3  GLN  22           HG1      GLN  22  -4.617   4.946   2.991
  155   HE21  GLN  22          HE21      GLN  22  -4.993   3.908   4.943
  156   HE22  GLN  22          HE22      GLN  22  -5.592   4.749   6.329
  157    H    CYS  23           HN       CYS  23  -3.832   4.078   1.690
  158    HA   CYS  23           HA       CYS  23  -2.115   2.435   0.028
  159    HB2  CYS  23           HB3      CYS  23  -2.359   1.820   2.725
  160    HB3  CYS  23           HB2      CYS  23  -3.517   0.746   1.941
  161    H    ILE  24           HN       ILE  24  -3.461   0.478  -0.837
  162    HA   ILE  24           HA       ILE  24  -5.727   1.874  -2.020
  163    HB   ILE  24           HB       ILE  24  -5.629  -0.245  -3.581
  164   HG12  ILE  24          HG12      ILE  24  -3.107  -0.684  -3.968
  165   HG13  ILE  24          HG11      ILE  24  -2.905  -0.191  -2.303
  166   HG21  ILE  24          HG21      ILE  24  -3.901   1.087  -4.950
  167   HG22  ILE  24          HG22      ILE  24  -4.021   2.260  -3.639
  168   HG23  ILE  24          HG23      ILE  24  -5.454   1.823  -4.560
  169   HD11  ILE  24          HD11      ILE  24  -4.450  -1.940  -1.600
  170   HD12  ILE  24          HD12      ILE  24  -3.061  -2.582  -2.475
  171   HD13  ILE  24          HD13      ILE  24  -4.622  -2.446  -3.280
  172    H    LYS  25           HN       LYS  25  -5.485  -0.356   0.383
  173    HA   LYS  25           HA       LYS  25  -6.904  -1.792   1.408
  174    HB2  LYS  25           HB3      LYS  25  -8.895  -0.019   0.047
  175    HB3  LYS  25           HB2      LYS  25  -9.277  -1.122   1.343
  176    HG2  LYS  25           HG3      LYS  25  -7.389   1.208   1.545
  177    HG3  LYS  25           HG2      LYS  25  -9.058   1.195   2.109
  178    HD2  LYS  25           HD3      LYS  25  -7.032  -0.797   3.087
  179    HD3  LYS  25           HD2      LYS  25  -7.209   0.787   3.829
  180    HE2  LYS  25           HE3      LYS  25  -8.523  -0.642   5.143
  181    HE3  LYS  25           HE2      LYS  25  -9.669   0.216   4.121
  182    HZ1  LYS  25           HZ1      LYS  25  -9.885  -1.698   2.733
  183    HZ2  LYS  25           HZ2      LYS  25 -10.104  -2.193   4.331
  184    HZ3  LYS  25           HZ3      LYS  25  -8.643  -2.510   3.543
  185    H    LYS  26           HN       LYS  26  -6.056  -2.707  -1.270
  186    HA   LYS  26           HA       LYS  26  -8.434  -4.306  -1.951
  187    HB2  LYS  26           HB3      LYS  26  -6.049  -3.653  -3.691
  188    HB3  LYS  26           HB2      LYS  26  -7.390  -4.686  -4.159
  189    HG2  LYS  26           HG3      LYS  26  -7.578  -1.755  -3.488
  190    HG3  LYS  26           HG2      LYS  26  -7.608  -2.455  -5.108
  191    HD2  LYS  26           HD3      LYS  26  -9.662  -3.659  -4.558
  192    HD3  LYS  26           HD2      LYS  26  -9.622  -2.997  -2.924
  193    HE2  LYS  26           HE3      LYS  26  -9.824  -1.357  -5.445
  194    HE3  LYS  26           HE2      LYS  26 -11.188  -1.804  -4.424
  195    HZ1  LYS  26           HZ1      LYS  26  -8.854  -0.204  -3.519
  196    HZ2  LYS  26           HZ2      LYS  26 -10.240  -0.558  -2.617
  197    HZ3  LYS  26           HZ3      LYS  26 -10.349   0.442  -3.974
  198    H    GLU  27           HN       GLU  27  -8.087  -5.818  -0.351
  199    HA   GLU  27           HA       GLU  27  -5.544  -7.241  -0.297
  200    HB2  GLU  27           HB3      GLU  27  -6.630  -6.465   1.810
  201    HB3  GLU  27           HB2      GLU  27  -7.966  -7.550   1.481
  202    HG2  GLU  27           HG3      GLU  27  -6.362  -9.445   1.542
  203    HG3  GLU  27           HG2      GLU  27  -5.125  -8.300   2.051
  Start of MODEL    9
    1    H1   LEU   1           HT1      LEU   1   5.962  -9.499  -1.170
    2    H2   LEU   1           HT2      LEU   1   5.097 -10.525  -2.200
    3    H3   LEU   1           HT3      LEU   1   4.301  -9.276  -1.387
    4    HA   LEU   1           HA       LEU   1   6.434  -8.879  -3.379
    5    HB2  LEU   1           HB3      LEU   1   4.626  -8.068  -4.880
    6    HB3  LEU   1           HB2      LEU   1   4.579  -9.787  -4.566
    7    HG   LEU   1           HG       LEU   1   2.820  -7.912  -3.008
    8   HD11  LEU   1          HD11      LEU   1   2.460  -7.423  -5.382
    9   HD12  LEU   1          HD12      LEU   1   1.070  -8.237  -4.665
   10   HD13  LEU   1          HD13      LEU   1   2.188  -9.137  -5.690
   11   HD21  LEU   1          HD21      LEU   1   1.390  -9.892  -2.865
   12   HD22  LEU   1          HD22      LEU   1   3.004 -10.228  -2.241
   13   HD23  LEU   1          HD23      LEU   1   2.542 -10.801  -3.843
   14    H    ASN   2           HN       ASN   2   7.469  -7.298  -2.249
   15    HA   ASN   2           HA       ASN   2   5.869  -5.029  -1.290
   16    HB2  ASN   2           HB3      ASN   2   7.780  -4.416   0.064
   17    HB3  ASN   2           HB2      ASN   2   7.416  -6.117   0.322
   18   HD21  ASN   2          HD21      ASN   2   9.907  -4.515   0.633
   19   HD22  ASN   2          HD22      ASN   2  11.102  -5.357  -0.294
   20    H    ASN   3           HN       ASN   3   6.753  -5.589  -4.143
   21    HA   ASN   3           HA       ASN   3   8.769  -3.826  -4.893
   22    HB2  ASN   3           HB3      ASN   3   7.955  -5.452  -6.469
   23    HB3  ASN   3           HB2      ASN   3   6.356  -4.724  -6.477
   24   HD21  ASN   3          HD21      ASN   3   9.646  -4.428  -7.538
   25   HD22  ASN   3          HD22      ASN   3   9.361  -3.200  -8.722
   26    HA   PRO   4           HA       PRO   4   5.734  -0.260  -5.362
   27    HB2  PRO   4           HB3      PRO   4   3.022  -0.776  -4.896
   28    HB3  PRO   4           HB2      PRO   4   3.817  -0.742  -6.470
   29    HG2  PRO   4           HG3      PRO   4   2.676  -2.990  -5.213
   30    HG3  PRO   4           HG2      PRO   4   3.706  -2.994  -6.652
   31    HD2  PRO   4           HD3      PRO   4   4.421  -3.524  -3.805
   32    HD3  PRO   4           HD2      PRO   4   5.079  -4.245  -5.287
   33    H    CYS   5           HN       CYS   5   6.840  -0.985  -2.897
   34    HA   CYS   5           HA       CYS   5   5.641   0.954  -1.230
   35    HB2  CYS   5           HB3      CYS   5   4.017  -0.866  -0.814
   36    HB3  CYS   5           HB2      CYS   5   5.341  -1.900  -0.291
   37    H    ASN   6           HN       ASN   6   7.183   1.776   0.006
   38    HA   ASN   6           HA       ASN   6   9.442   0.054   0.780
   39    HB2  ASN   6           HB3      ASN   6  10.038   1.786  -0.937
   40    HB3  ASN   6           HB2      ASN   6   9.580   3.028   0.220
   41   HD21  ASN   6          HD21      ASN   6  10.965   3.561   1.850
   42   HD22  ASN   6          HD22      ASN   6  12.563   2.916   1.993
   43    H    GLY   7           HN       GLY   7   6.788   1.421   1.873
   44    HA2  GLY   7           HA3      GLY   7   7.773   1.611   4.600
   45    HA3  GLY   7           HA2      GLY   7   7.032   3.066   3.944
   46    H    VAL   8           HN       VAL   8   6.490  -0.023   5.299
   47    HA   VAL   8           HA       VAL   8   3.834  -0.378   4.291
   48    HB   VAL   8           HB       VAL   8   5.147  -1.827   6.592
   49   HG11  VAL   8          HG11      VAL   8   2.726  -2.117   6.520
   50   HG12  VAL   8          HG12      VAL   8   3.542  -3.609   6.053
   51   HG13  VAL   8          HG13      VAL   8   2.819  -2.576   4.821
   52   HG21  VAL   8          HG21      VAL   8   6.422  -1.887   4.446
   53   HG22  VAL   8          HG22      VAL   8   5.026  -2.666   3.705
   54   HG23  VAL   8          HG23      VAL   8   5.884  -3.462   5.024
   55    H    THR   9           HN       THR   9   3.073   1.748   4.959
   56    HA   THR   9           HA       THR   9   2.278   1.886   7.768
   57    HB   THR   9           HB       THR   9   3.268   3.926   6.730
   58    HG1  THR   9           HG1      THR   9   0.787   3.810   7.942
   59   HG21  THR   9          HG21      THR   9   2.251   3.450   4.469
   60   HG22  THR   9          HG22      THR   9   2.167   5.128   5.009
   61   HG23  THR   9          HG23      THR   9   0.738   4.098   5.106
   62    H    CYS  10           HN       CYS  10   1.305   0.010   5.852
   63    HA   CYS  10           HA       CYS  10  -1.479   0.825   5.469
   64    HB2  CYS  10           HB3      CYS  10   0.329  -1.030   3.967
   65    HB3  CYS  10           HB2      CYS  10  -1.417  -1.251   3.877
   66    HA   PRO  11           HA       PRO  11  -2.992  -2.014   8.507
   67    HB2  PRO  11           HB3      PRO  11  -5.398  -2.527   7.264
   68    HB3  PRO  11           HB2      PRO  11  -5.069  -1.095   8.244
   69    HG2  PRO  11           HG3      PRO  11  -4.926  -1.413   5.253
   70    HG3  PRO  11           HG2      PRO  11  -5.665  -0.103   6.208
   71    HD2  PRO  11           HD3      PRO  11  -3.287   0.222   5.107
   72    HD3  PRO  11           HD2      PRO  11  -3.583   0.805   6.762
   73    H    SER  12           HN       SER  12  -2.850  -2.806   5.112
   74    HA   SER  12           HA       SER  12  -2.653  -5.649   5.795
   75    HB2  SER  12           HB3      SER  12  -4.960  -5.022   4.920
   76    HB3  SER  12           HB2      SER  12  -4.179  -4.624   3.391
   77    HG   SER  12           HG       SER  12  -5.099  -6.896   3.919
   78    H    GLY  13           HN       GLY  13  -1.572  -6.890   4.048
   79    HA2  GLY  13           HA3      GLY  13   0.738  -5.335   3.218
   80    HA3  GLY  13           HA2      GLY  13   0.610  -7.086   3.240
   81    H    TYR  14           HN       TYR  14  -1.449  -4.656   1.659
   82    HA   TYR  14           HA       TYR  14  -1.147  -6.060  -0.846
   83    HB2  TYR  14           HB3      TYR  14  -2.527  -3.935  -1.630
   84    HB3  TYR  14           HB2      TYR  14  -3.263  -5.351  -0.925
   85    HD1  TYR  14           HD2      TYR  14  -1.558  -2.400   0.666
   86    HD2  TYR  14           HD1      TYR  14  -5.112  -4.693   0.225
   87    HE1  TYR  14           HE2      TYR  14  -2.699  -0.978   2.325
   88    HE2  TYR  14           HE1      TYR  14  -6.245  -3.261   1.864
   89    HH   TYR  14           HH       TYR  14  -5.744  -1.766   3.659
   90    H    ARG  15           HN       ARG  15  -1.332  -2.666  -1.168
   91    HA   ARG  15           HA       ARG  15   1.551  -2.430  -1.468
   92    HB2  ARG  15           HB3      ARG  15   1.244  -1.238  -3.678
   93    HB3  ARG  15           HB2      ARG  15   1.024  -2.980  -3.713
   94    HG2  ARG  15           HG2      ARG  15  -1.390  -2.685  -3.704
   95    HG3  ARG  15           HG1      ARG  15  -1.176  -0.936  -3.635
   96    HD2  ARG  15           HD3      ARG  15  -0.173  -2.709  -5.856
   97    HD3  ARG  15           HD2      ARG  15  -1.665  -1.772  -5.914
   98    HE   ARG  15           HE       ARG  15   0.433  -0.037  -5.283
   99   HH11  ARG  15          HH11      ARG  15  -0.658  -2.000  -7.968
  100   HH12  ARG  15          HH12      ARG  15   0.040  -0.966  -9.171
  101   HH21  ARG  15          HH21      ARG  15   1.366   1.320  -6.869
  102   HH22  ARG  15          HH22      ARG  15   1.193   0.919  -8.548
  103    H    CYS  16           HN       CYS  16   2.169  -0.101  -1.775
  104    HA   CYS  16           HA       CYS  16   0.451   1.380   0.083
  105    HB2  CYS  16           HB3      CYS  16   3.450   1.589  -0.313
  106    HB3  CYS  16           HB2      CYS  16   2.499   2.463   0.885
  107    H    SER  17           HN       SER  17  -0.758   2.495  -1.307
  108    HA   SER  17           HA       SER  17   0.343   3.677  -3.671
  109    HB2  SER  17           HB3      SER  17  -2.076   4.582  -3.807
  110    HB3  SER  17           HB2      SER  17  -1.817   2.841  -3.961
  111    HG   SER  17           HG       SER  17  -2.615   4.255  -1.624
  112    H    ILE  18           HN       ILE  18   1.672   4.702  -1.496
  113    HA   ILE  18           HA       ILE  18   0.643   6.949  -0.219
  114    HB   ILE  18           HB       ILE  18   3.535   6.635  -1.037
  115   HG12  ILE  18          HG12      ILE  18   2.740   4.540  -0.012
  116   HG13  ILE  18          HG11      ILE  18   3.878   5.375   1.038
  117   HG21  ILE  18          HG21      ILE  18   2.271   7.979   1.349
  118   HG22  ILE  18          HG22      ILE  18   2.954   8.794  -0.057
  119   HG23  ILE  18          HG23      ILE  18   4.000   7.868   1.019
  120   HD11  ILE  18          HD11      ILE  18   0.884   5.339   1.327
  121   HD12  ILE  18          HD12      ILE  18   1.999   6.229   2.361
  122   HD13  ILE  18          HD13      ILE  18   2.050   4.468   2.321
  123    H    VAL  19           HN       VAL  19   1.604   6.541  -3.458
  124    HA   VAL  19           HA       VAL  19   2.110   9.291  -4.060
  125    HB   VAL  19           HB       VAL  19   1.931   8.459  -6.458
  126   HG11  VAL  19          HG11      VAL  19   3.824   6.963  -4.642
  127   HG12  VAL  19          HG12      VAL  19   4.051   8.632  -5.178
  128   HG13  VAL  19          HG13      VAL  19   4.071   7.318  -6.355
  129   HG21  VAL  19          HG21      VAL  19   0.456   6.468  -5.765
  130   HG22  VAL  19          HG22      VAL  19   1.953   5.711  -5.230
  131   HG23  VAL  19          HG23      VAL  19   1.746   6.157  -6.923
  132    H    ASP  20           HN       ASP  20  -0.625   7.098  -4.282
  133    HA   ASP  20           HA       ASP  20  -2.335   9.166  -5.432
  134    HB2  ASP  20           HB3      ASP  20  -2.452   6.890  -6.360
  135    HB3  ASP  20           HB2      ASP  20  -2.900   6.260  -4.779
  136    H    LYS  21           HN       LYS  21  -2.931   6.755  -2.896
  137    HA   LYS  21           HA       LYS  21  -3.261   8.807  -0.882
  138    HB2  LYS  21           HB3      LYS  21  -5.463   8.320  -0.236
  139    HB3  LYS  21           HB2      LYS  21  -5.556   8.396  -1.984
  140    HG2  LYS  21           HG3      LYS  21  -5.358   5.845  -0.403
  141    HG3  LYS  21           HG2      LYS  21  -6.866   6.559  -0.966
  142    HD2  LYS  21           HD3      LYS  21  -5.782   6.469  -3.300
  143    HD3  LYS  21           HD2      LYS  21  -4.639   5.347  -2.561
  144    HE2  LYS  21           HE3      LYS  21  -6.451   4.127  -3.617
  145    HE3  LYS  21           HE2      LYS  21  -6.510   3.920  -1.868
  146    HZ1  LYS  21           HZ1      LYS  21  -8.696   4.357  -2.927
  147    HZ2  LYS  21           HZ2      LYS  21  -8.154   5.903  -3.339
  148    HZ3  LYS  21           HZ3      LYS  21  -8.293   5.462  -1.715
  149    H    GLN  22           HN       GLN  22  -3.440   7.719   1.325
  150    HA   GLN  22           HA       GLN  22  -1.091   6.486   1.712
  151    HB2  GLN  22           HB3      GLN  22  -1.938   5.716   3.919
  152    HB3  GLN  22           HB2      GLN  22  -2.265   7.400   3.555
  153    HG2  GLN  22           HG2      GLN  22  -4.568   6.671   2.838
  154    HG3  GLN  22           HG1      GLN  22  -4.189   5.099   3.542
  155   HE21  GLN  22          HE21      GLN  22  -3.901   4.939   5.784
  156   HE22  GLN  22          HE22      GLN  22  -4.504   6.149   6.860
  157    H    CYS  23           HN       CYS  23  -4.128   4.538   1.564
  158    HA   CYS  23           HA       CYS  23  -2.472   2.357   0.535
  159    HB2  CYS  23           HB3      CYS  23  -4.466   2.021   2.780
  160    HB3  CYS  23           HB2      CYS  23  -3.579   0.730   1.992
  161    H    ILE  24           HN       ILE  24  -3.552   0.882  -0.804
  162    HA   ILE  24           HA       ILE  24  -5.799   2.109  -2.129
  163    HB   ILE  24           HB       ILE  24  -5.490  -0.048  -3.611
  164   HG12  ILE  24          HG12      ILE  24  -2.980  -0.434  -3.826
  165   HG13  ILE  24          HG11      ILE  24  -2.826   0.204  -2.207
  166   HG21  ILE  24          HG21      ILE  24  -3.771   2.409  -3.677
  167   HG22  ILE  24          HG22      ILE  24  -5.341   2.175  -4.443
  168   HG23  ILE  24          HG23      ILE  24  -3.938   1.273  -5.014
  169   HD11  ILE  24          HD11      ILE  24  -4.164  -1.537  -1.321
  170   HD12  ILE  24          HD12      ILE  24  -2.920  -2.251  -2.342
  171   HD13  ILE  24          HD13      ILE  24  -4.574  -2.113  -2.932
  172    H    LYS  25           HN       LYS  25  -5.531  -0.219   0.253
  173    HA   LYS  25           HA       LYS  25  -7.024  -1.565   1.292
  174    HB2  LYS  25           HB3      LYS  25  -8.535   0.553   0.143
  175    HB3  LYS  25           HB2      LYS  25  -9.474  -0.920   0.057
  176    HG2  LYS  25           HG3      LYS  25 -10.115  -0.043   2.082
  177    HG3  LYS  25           HG2      LYS  25  -8.842  -1.170   2.555
  178    HD2  LYS  25           HD3      LYS  25  -7.247   0.634   2.720
  179    HD3  LYS  25           HD2      LYS  25  -8.436   1.784   2.101
  180    HE2  LYS  25           HE3      LYS  25  -9.875   1.190   4.080
  181    HE3  LYS  25           HE2      LYS  25  -8.493   0.305   4.724
  182    HZ1  LYS  25           HZ1      LYS  25  -8.573   3.205   4.098
  183    HZ2  LYS  25           HZ2      LYS  25  -7.219   2.369   4.668
  184    HZ3  LYS  25           HZ3      LYS  25  -8.592   2.516   5.644
  185    H    LYS  26           HN       LYS  26  -5.942  -2.372  -1.476
  186    HA   LYS  26           HA       LYS  26  -8.165  -4.085  -2.336
  187    HB2  LYS  26           HB3      LYS  26  -5.537  -3.549  -3.727
  188    HB3  LYS  26           HB2      LYS  26  -6.848  -4.526  -4.360
  189    HG2  LYS  26           HG3      LYS  26  -6.923  -1.566  -3.822
  190    HG3  LYS  26           HG2      LYS  26  -6.857  -2.350  -5.399
  191    HD2  LYS  26           HD3      LYS  26  -9.111  -2.561  -3.401
  192    HD3  LYS  26           HD2      LYS  26  -9.123  -1.595  -4.875
  193    HE2  LYS  26           HE3      LYS  26  -8.914  -4.598  -4.713
  194    HE3  LYS  26           HE2      LYS  26 -10.344  -3.681  -5.178
  195    HZ1  LYS  26           HZ1      LYS  26  -7.774  -3.847  -6.648
  196    HZ2  LYS  26           HZ2      LYS  26  -9.025  -2.788  -7.058
  197    HZ3  LYS  26           HZ3      LYS  26  -9.271  -4.458  -7.137
  198    H    GLU  27           HN       GLU  27  -7.980  -5.492  -0.527
  199    HA   GLU  27           HA       GLU  27  -5.693  -7.323  -0.732
  200    HB2  GLU  27           HB3      GLU  27  -6.212  -7.931   1.655
  201    HB3  GLU  27           HB2      GLU  27  -5.609  -6.305   1.418
  202    HG2  GLU  27           HG3      GLU  27  -7.912  -5.476   1.550
  203    HG3  GLU  27           HG2      GLU  27  -8.460  -7.110   1.909
  Start of MODEL   10
    1    H1   LEU   1           HT1      LEU   1  11.270   7.562   0.994
    2    H2   LEU   1           HT2      LEU   1  11.018   7.949   2.616
    3    H3   LEU   1           HT3      LEU   1   9.868   8.381   1.461
    4    HA   LEU   1           HA       LEU   1   9.103   6.489   2.696
    5    HB2  LEU   1           HB3      LEU   1   9.925   5.965  -0.153
    6    HB3  LEU   1           HB2      LEU   1   8.995   4.803   0.763
    7    HG   LEU   1           HG       LEU   1   7.264   6.652   1.076
    8   HD11  LEU   1          HD11      LEU   1   8.907   7.898  -1.120
    9   HD12  LEU   1          HD12      LEU   1   8.568   8.577   0.470
   10   HD13  LEU   1          HD13      LEU   1   7.265   8.379  -0.699
   11   HD21  LEU   1          HD21      LEU   1   6.923   4.761  -0.398
   12   HD22  LEU   1          HD22      LEU   1   7.823   5.572  -1.680
   13   HD23  LEU   1          HD23      LEU   1   6.283   6.232  -1.132
   14    H    ASN   2           HN       ASN   2   9.613   4.765   3.904
   15    HA   ASN   2           HA       ASN   2  12.312   3.676   3.759
   16    HB2  ASN   2           HB3      ASN   2  10.024   3.057   5.652
   17    HB3  ASN   2           HB2      ASN   2  11.641   2.381   5.773
   18   HD21  ASN   2          HD21      ASN   2  11.949   3.206   7.815
   19   HD22  ASN   2          HD22      ASN   2  12.218   4.890   8.104
   20    H    ASN   3           HN       ASN   3  12.787   1.706   2.930
   21    HA   ASN   3           HA       ASN   3  12.597  -0.272   1.861
   22    HB2  ASN   3           HB3      ASN   3   9.857  -0.234   3.132
   23    HB3  ASN   3           HB2      ASN   3  10.461  -1.581   2.188
   24   HD21  ASN   3          HD21      ASN   3  10.633   0.113   5.177
   25   HD22  ASN   3          HD22      ASN   3  11.637  -1.024   6.007
   26    HA   PRO   4           HA       PRO   4  10.688   0.230  -2.203
   27    HB2  PRO   4           HB3      PRO   4   9.092  -2.099  -2.271
   28    HB3  PRO   4           HB2      PRO   4  10.721  -1.919  -2.925
   29    HG2  PRO   4           HG3      PRO   4   9.836  -3.066  -0.323
   30    HG3  PRO   4           HG2      PRO   4  11.194  -3.541  -1.360
   31    HD2  PRO   4           HD3      PRO   4  11.610  -2.176   0.888
   32    HD3  PRO   4           HD2      PRO   4  12.551  -1.819  -0.573
   33    H    CYS   5           HN       CYS   5   8.585  -0.960   0.383
   34    HA   CYS   5           HA       CYS   5   6.525   0.948  -0.499
   35    HB2  CYS   5           HB3      CYS   5   5.802  -1.375  -0.898
   36    HB3  CYS   5           HB2      CYS   5   6.111  -1.756   0.790
   37    H    ASN   6           HN       ASN   6   5.779   2.311   1.032
   38    HA   ASN   6           HA       ASN   6   6.870   1.987   3.746
   39    HB2  ASN   6           HB3      ASN   6   7.709   3.966   2.423
   40    HB3  ASN   6           HB2      ASN   6   6.066   4.593   2.433
   41   HD21  ASN   6          HD21      ASN   6   5.290   5.574   4.257
   42   HD22  ASN   6          HD22      ASN   6   6.252   5.869   5.669
   43    H    GLY   7           HN       GLY   7   4.825   0.555   3.684
   44    HA2  GLY   7           HA3      GLY   7   2.368   2.071   4.090
   45    HA3  GLY   7           HA2      GLY   7   2.518   0.320   4.039
   46    H    VAL   8           HN       VAL   8   3.628   3.066   6.006
   47    HA   VAL   8           HA       VAL   8   4.022   1.486   8.337
   48    HB   VAL   8           HB       VAL   8   5.195   3.633   7.866
   49   HG11  VAL   8          HG11      VAL   8   2.589   4.871   8.619
   50   HG12  VAL   8          HG12      VAL   8   3.370   4.955   7.047
   51   HG13  VAL   8          HG13      VAL   8   4.107   5.740   8.446
   52   HG21  VAL   8          HG21      VAL   8   3.755   3.458  10.498
   53   HG22  VAL   8          HG22      VAL   8   5.178   4.452  10.186
   54   HG23  VAL   8          HG23      VAL   8   5.290   2.694  10.084
   55    H    THR   9           HN       THR   9   1.270   2.863   6.918
   56    HA   THR   9           HA       THR   9  -0.294   2.290   9.340
   57    HB   THR   9           HB       THR   9  -0.272   4.719   8.827
   58    HG1  THR   9           HG1      THR   9  -2.406   3.203   9.217
   59   HG21  THR   9          HG21      THR   9  -0.040   4.237   6.315
   60   HG22  THR   9          HG22      THR   9  -1.021   5.620   6.807
   61   HG23  THR   9          HG23      THR   9  -1.800   4.115   6.317
   62    H    CYS  10           HN       CYS  10   0.523   0.539   7.291
   63    HA   CYS  10           HA       CYS  10  -2.073  -0.254   6.177
   64    HB2  CYS  10           HB3      CYS  10   0.525  -0.312   4.628
   65    HB3  CYS  10           HB2      CYS  10  -1.072  -0.745   4.017
   66    HA   PRO  11           HA       PRO  11  -1.063  -4.218   7.867
   67    HB2  PRO  11           HB3      PRO  11  -2.555  -5.766   6.166
   68    HB3  PRO  11           HB2      PRO  11  -3.229  -4.852   7.519
   69    HG2  PRO  11           HG3      PRO  11  -3.122  -4.124   4.608
   70    HG3  PRO  11           HG2      PRO  11  -4.458  -3.946   5.763
   71    HD2  PRO  11           HD3      PRO  11  -2.917  -1.871   5.073
   72    HD3  PRO  11           HD2      PRO  11  -3.534  -2.057   6.728
   73    H    SER  12           HN       SER  12  -0.044  -3.184   4.890
   74    HA   SER  12           HA       SER  12   1.384  -3.845   3.302
   75    HB2  SER  12           HB3      SER  12   2.914  -3.833   5.178
   76    HB3  SER  12           HB2      SER  12   2.410  -5.453   5.632
   77    HG   SER  12           HG       SER  12   3.245  -6.092   3.490
   78    H    GLY  13           HN       GLY  13  -1.072  -5.218   3.463
   79    HA2  GLY  13           HA3      GLY  13  -0.466  -7.934   2.576
   80    HA3  GLY  13           HA2      GLY  13  -2.072  -7.253   2.799
   81    H    TYR  14           HN       TYR  14  -1.988  -4.990   1.333
   82    HA   TYR  14           HA       TYR  14  -1.771  -5.993  -1.390
   83    HB2  TYR  14           HB3      TYR  14  -2.756  -3.541  -1.749
   84    HB3  TYR  14           HB2      TYR  14  -3.758  -4.923  -1.355
   85    HD1  TYR  14           HD2      TYR  14  -1.701  -2.444   0.586
   86    HD2  TYR  14           HD1      TYR  14  -5.409  -4.471   0.158
   87    HE1  TYR  14           HE2      TYR  14  -2.580  -1.253   2.523
   88    HE2  TYR  14           HE1      TYR  14  -6.286  -3.272   2.109
   89    HH   TYR  14           HH       TYR  14  -4.575  -0.661   3.615
   90    H    ARG  15           HN       ARG  15  -1.419  -2.615  -0.942
   91    HA   ARG  15           HA       ARG  15   1.440  -2.557  -0.929
   92    HB2  ARG  15           HB3      ARG  15   1.719  -1.508  -3.125
   93    HB3  ARG  15           HB2      ARG  15   1.068  -3.129  -3.291
   94    HG2  ARG  15           HG2      ARG  15  -1.054  -2.342  -3.874
   95    HG3  ARG  15           HG1      ARG  15  -0.711  -0.717  -3.276
   96    HD2  ARG  15           HD3      ARG  15   0.626  -2.020  -5.642
   97    HD3  ARG  15           HD2      ARG  15  -0.693  -0.854  -5.739
   98    HE   ARG  15           HE       ARG  15   1.498   0.156  -4.224
   99   HH11  ARG  15          HH11      ARG  15   0.383  -0.390  -7.494
  100   HH12  ARG  15          HH12      ARG  15   1.363   0.870  -8.173
  101   HH21  ARG  15          HH21      ARG  15   2.800   1.806  -5.113
  102   HH22  ARG  15          HH22      ARG  15   2.744   2.119  -6.819
  103    H    CYS  16           HN       CYS  16   2.094  -0.136  -1.461
  104    HA   CYS  16           HA       CYS  16   0.151   1.528  -0.028
  105    HB2  CYS  16           HB3      CYS  16   2.240   2.920   0.503
  106    HB3  CYS  16           HB2      CYS  16   2.068   1.369   1.315
  107    H    SER  17           HN       SER  17  -0.965   2.577  -1.516
  108    HA   SER  17           HA       SER  17   0.197   3.511  -3.966
  109    HB2  SER  17           HB3      SER  17  -2.091   4.492  -4.308
  110    HB3  SER  17           HB2      SER  17  -2.071   2.750  -4.044
  111    HG   SER  17           HG       SER  17  -3.477   4.476  -2.734
  112    H    ILE  18           HN       ILE  18   1.807   4.648  -2.354
  113    HA   ILE  18           HA       ILE  18   1.059   7.027  -1.042
  114    HB   ILE  18           HB       ILE  18   3.765   6.395  -2.243
  115   HG12  ILE  18          HG12      ILE  18   3.006   4.543  -0.819
  116   HG13  ILE  18          HG11      ILE  18   4.334   5.416  -0.063
  117   HG21  ILE  18          HG21      ILE  18   3.513   8.712  -1.517
  118   HG22  ILE  18          HG22      ILE  18   4.642   7.838  -0.480
  119   HG23  ILE  18          HG23      ILE  18   3.000   8.161   0.079
  120   HD11  ILE  18          HD11      ILE  18   2.653   4.848   1.572
  121   HD12  ILE  18          HD12      ILE  18   1.416   5.672   0.622
  122   HD13  ILE  18          HD13      ILE  18   2.724   6.597   1.360
  123    H    VAL  19           HN       VAL  19   1.397   6.261  -4.319
  124    HA   VAL  19           HA       VAL  19   1.915   8.900  -5.296
  125    HB   VAL  19           HB       VAL  19   1.333   7.964  -7.494
  126   HG11  VAL  19          HG11      VAL  19   3.149   6.239  -5.821
  127   HG12  VAL  19          HG12      VAL  19   3.599   7.723  -6.667
  128   HG13  VAL  19          HG13      VAL  19   3.139   6.290  -7.586
  129   HG21  VAL  19          HG21      VAL  19   0.739   5.422  -5.990
  130   HG22  VAL  19          HG22      VAL  19   0.797   5.595  -7.741
  131   HG23  VAL  19          HG23      VAL  19  -0.446   6.433  -6.814
  132    H    ASP  20           HN       ASP  20  -0.874   6.932  -4.657
  133    HA   ASP  20           HA       ASP  20  -2.723   8.925  -5.696
  134    HB2  ASP  20           HB3      ASP  20  -3.142   6.558  -6.174
  135    HB3  ASP  20           HB2      ASP  20  -3.217   6.209  -4.447
  136    H    LYS  21           HN       LYS  21  -2.234   7.170  -2.651
  137    HA   LYS  21           HA       LYS  21  -2.664   9.543  -1.095
  138    HB2  LYS  21           HB3      LYS  21  -4.481   8.415   0.300
  139    HB3  LYS  21           HB2      LYS  21  -4.961   9.062  -1.257
  140    HG2  LYS  21           HG3      LYS  21  -4.622   6.662  -2.129
  141    HG3  LYS  21           HG2      LYS  21  -4.656   6.202  -0.423
  142    HD2  LYS  21           HD3      LYS  21  -6.842   7.190  -0.153
  143    HD3  LYS  21           HD2      LYS  21  -6.802   7.816  -1.800
  144    HE2  LYS  21           HE3      LYS  21  -8.092   5.939  -2.080
  145    HE3  LYS  21           HE2      LYS  21  -6.489   5.293  -2.429
  146    HZ1  LYS  21           HZ1      LYS  21  -7.828   5.116   0.210
  147    HZ2  LYS  21           HZ2      LYS  21  -6.366   4.389  -0.229
  148    HZ3  LYS  21           HZ3      LYS  21  -7.815   3.880  -0.942
  149    H    GLN  22           HN       GLN  22  -3.438   7.168   1.022
  150    HA   GLN  22           HA       GLN  22  -0.639   6.677   1.629
  151    HB2  GLN  22           HB3      GLN  22  -1.602   5.575   3.715
  152    HB3  GLN  22           HB2      GLN  22  -1.787   7.311   3.561
  153    HG2  GLN  22           HG2      GLN  22  -4.095   7.006   2.842
  154    HG3  GLN  22           HG1      GLN  22  -3.906   5.259   2.979
  155   HE21  GLN  22          HE21      GLN  22  -2.455   7.496   5.235
  156   HE22  GLN  22          HE22      GLN  22  -3.464   7.083   6.578
  157    H    CYS  23           HN       CYS  23  -3.578   4.647   1.369
  158    HA   CYS  23           HA       CYS  23  -2.048   2.686  -0.093
  159    HB2  CYS  23           HB3      CYS  23  -3.113   2.190   2.657
  160    HB3  CYS  23           HB2      CYS  23  -3.125   0.879   1.482
  161    H    ILE  24           HN       ILE  24  -3.458   0.930  -0.902
  162    HA   ILE  24           HA       ILE  24  -5.701   2.329  -2.101
  163    HB   ILE  24           HB       ILE  24  -5.498  -0.087  -3.384
  164   HG12  ILE  24          HG12      ILE  24  -3.000  -0.169  -3.925
  165   HG13  ILE  24          HG11      ILE  24  -2.773   0.785  -2.466
  166   HG21  ILE  24          HG21      ILE  24  -4.144   2.514  -4.063
  167   HG22  ILE  24          HG22      ILE  24  -5.809   2.074  -4.442
  168   HG23  ILE  24          HG23      ILE  24  -4.473   1.205  -5.198
  169   HD11  ILE  24          HD11      ILE  24  -3.799  -0.975  -1.154
  170   HD12  ILE  24          HD12      ILE  24  -2.429  -1.583  -2.080
  171   HD13  ILE  24          HD13      ILE  24  -4.074  -1.917  -2.619
  172    H    LYS  25           HN       LYS  25  -5.316   0.005   0.292
  173    HA   LYS  25           HA       LYS  25  -6.674  -1.432   1.376
  174    HB2  LYS  25           HB3      LYS  25  -8.767   0.363   0.203
  175    HB3  LYS  25           HB2      LYS  25  -9.051  -0.782   1.492
  176    HG2  LYS  25           HG3      LYS  25  -7.207   1.593   1.618
  177    HG3  LYS  25           HG2      LYS  25  -8.815   1.494   2.332
  178    HD2  LYS  25           HD3      LYS  25  -6.451  -0.237   3.052
  179    HD3  LYS  25           HD2      LYS  25  -7.063   1.120   3.996
  180    HE2  LYS  25           HE3      LYS  25  -9.183  -0.045   4.316
  181    HE3  LYS  25           HE2      LYS  25  -8.599  -1.393   3.343
  182    HZ1  LYS  25           HZ1      LYS  25  -7.414  -0.483   5.903
  183    HZ2  LYS  25           HZ2      LYS  25  -6.879  -1.795   4.978
  184    HZ3  LYS  25           HZ3      LYS  25  -8.403  -1.841   5.708
  185    H    LYS  26           HN       LYS  26  -5.937  -2.272  -1.320
  186    HA   LYS  26           HA       LYS  26  -8.281  -3.568  -2.408
  187    HB2  LYS  26           HB3      LYS  26  -5.348  -3.872  -3.080
  188    HB3  LYS  26           HB2      LYS  26  -6.649  -4.684  -3.937
  189    HG2  LYS  26           HG3      LYS  26  -6.234  -1.713  -3.757
  190    HG3  LYS  26           HG2      LYS  26  -5.889  -2.730  -5.154
  191    HD2  LYS  26           HD3      LYS  26  -8.303  -3.346  -5.212
  192    HD3  LYS  26           HD2      LYS  26  -8.587  -2.178  -3.922
  193    HE2  LYS  26           HE3      LYS  26  -7.679  -0.403  -5.378
  194    HE3  LYS  26           HE2      LYS  26  -7.499  -1.586  -6.671
  195    HZ1  LYS  26           HZ1      LYS  26  -9.908  -1.957  -6.569
  196    HZ2  LYS  26           HZ2      LYS  26  -9.524  -0.362  -6.964
  197    HZ3  LYS  26           HZ3      LYS  26 -10.045  -0.740  -5.403
  198    H    GLU  27           HN       GLU  27  -8.783  -4.554  -0.298
  199    HA   GLU  27           HA       GLU  27  -7.519  -7.185  -0.063
  200    HB2  GLU  27           HB3      GLU  27  -6.473  -5.726   1.623
  201    HB3  GLU  27           HB2      GLU  27  -8.057  -5.322   2.256
  202    HG2  GLU  27           HG3      GLU  27  -8.380  -7.724   2.803
  203    HG3  GLU  27           HG2      GLU  27  -6.708  -7.992   2.321