*HEADER    CYTOKINE                                19-DEC-07   2JYU              
*TITLE     HUMAN GRANULIN C, ISOMER 2                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRANULIN-5;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GRANULIN C;                                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: GRN;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ORIGAMI(DE3);                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-32                                    
*KEYWDS    GRANULIN C, EPITHELIN, HUMAN, STACK OF HAIRPINS,                      
*KEYWDS   2 ALTERNATIVE SPLICING, CYTOKINE, GLYCOPROTEIN, POLYMORPHISM,          
*KEYWDS   3 SECRETED                                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.TOLKATCHEV, P.WANG, Z.CHEN, P.XU, F.NI                              
*REVDAT   1   22-APR-08 2JYU    0                                                


 ASSI {   13}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.100     0.600     0.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.79290E-02 ppm1      8.681 ppm2      4.353 CV     1
 ASSI {   18}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.100     1.200     1.200 peak    18 spectrum    1 weight  0.10000E+01 volume  0.31770E-02 ppm1      8.678 ppm2      2.050 CV     1
 ASSI {   19}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.200     1.300     1.300 peak    19 spectrum    1 weight  0.10000E+01 volume  0.18620E-02 ppm1      8.678 ppm2      1.763 CV     1
 ASSI {   24}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.23639E-02 ppm1      8.677 ppm2      4.857 CV     1
 ASSI {   30}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA1 ))
      3.600     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10254E-02 ppm1      7.701 ppm2      3.425 CV     1
 ASSI {   32}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.28739E-02 ppm1      8.033 ppm2      7.685 CV     1
 ASSI {   33}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.300     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.90791E-03 ppm1      9.124 ppm2      2.992 CV     1
 ASSI {   34}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.100     2.100     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.12670E-02 ppm1      9.122 ppm2      3.172 CV     1
 ASSI {   35}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.31281E-02 ppm1      9.122 ppm2      3.776 CV     1
 ASSI {   37}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.54234E-02 ppm1      9.122 ppm2      4.857 CV     1
 ASSI {   39}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.92308E+00 volume  0.44359E-02 ppm1      8.559 ppm2      3.774 CV     1
 ASSI {   40}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.92308E+00 volume  0.20831E-02 ppm1      8.571 ppm2      4.563 CV     1
 ASSI {   41}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.800     1.800     1.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10123E-02 ppm1      8.556 ppm2      3.236 CV     1
 ASSI {   44}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.100     2.100     1.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.10044E-02 ppm1      9.534 ppm2      3.189 CV     1
 ASSI {   45}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.000     2.000     2.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.38610E-03 ppm1      9.537 ppm2      2.729 CV     1
 ASSI {   52}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      4.400     2.400     1.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.37643E-03 ppm1      8.024 ppm2      3.831 CV     1
 ASSI {   54}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak    54 spectrum    1 weight  0.92308E+00 volume  0.30874E-02 ppm1      8.026 ppm2      4.206 CV     1
 ASSI {   55}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak    55 spectrum    1 weight  0.92308E+00 volume  0.32767E-03 ppm1      8.027 ppm2      4.056 CV     1
 ASSI {   57}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.000     0.500     0.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.75801E-02 ppm1      9.238 ppm2      5.317 CV     1
 ASSI {   61}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.500     1.500     1.500 peak    61 spectrum    1 weight  0.92308E+00 volume  0.13472E-02 ppm1      9.236 ppm2      3.129 CV     1
 ASSI {   62}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10306E-02 ppm1      9.235 ppm2      9.127 CV     1
 ASSI {   64}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.85165E-03 ppm1      9.532 ppm2      5.314 CV     1
 ASSI {   67}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.40725E-02 ppm1      8.558 ppm2      5.173 CV     1
 ASSI {   71}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.500     2.600     1.500 peak    71 spectrum    1 weight  0.10000E+01 volume  0.33110E-03 ppm1      8.684 ppm2      0.627 CV     1
 ASSI {   74}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.16862E-02 ppm1      8.682 ppm2      1.447 CV     1
 ASSI {   76}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.000     0.500     0.500 peak    76 spectrum    1 weight  0.92308E+00 volume  0.81446E-02 ppm1      8.683 ppm2      3.780 CV     1
 ASSI {   82}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.600     1.600     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.64287E-03 ppm1      7.556 ppm2      3.724 CV     1
 ASSI {   83}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      4.000     2.000     2.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.66259E-03 ppm1      7.554 ppm2      3.988 CV     1
 ASSI {  101}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.67685E-03 ppm1      8.671 ppm2      7.685 CV     1
 ASSI {  153}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     1.800     1.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.14217E-02 ppm1      9.456 ppm2      2.754 CV     1
 ASSI {  154}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.500     2.500     1.500 peak   154 spectrum    1 weight  0.10000E+01 volume  0.72167E-03 ppm1      9.454 ppm2      2.907 CV     1
 ASSI {  155}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      8.728 ppm2      1.813 CV     1
 ASSI {  156}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.700     1.700     1.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.16557E-02 ppm1      8.729 ppm2      2.042 CV     1
 ASSI {  157}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.300     2.300     1.700 peak   157 spectrum    1 weight  0.92308E+00 volume  0.46235E-03 ppm1      8.728 ppm2      2.235 CV     1
 ASSI {  158}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.200     2.200     1.800 peak   158 spectrum    1 weight  0.92308E+00 volume  0.40508E-03 ppm1      8.733 ppm2      2.292 CV     1
 ASSI {  161}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   161 spectrum    1 weight  0.92308E+00 volume  0.41013E-02 ppm1      8.358 ppm2      4.054 CV     1
 ASSI {  162}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.59867E-02 ppm1      9.452 ppm2      5.465 CV     1
 ASSI {  163}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.92482E-03 ppm1      9.454 ppm2      5.050 CV     1
 ASSI {  165}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.83865E-03 ppm1      8.329 ppm2      5.463 CV     1
 ASSI {  166}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.37055E-02 ppm1      8.640 ppm2      4.114 CV     1
 ASSI {  167}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.400     1.400 peak   167 spectrum    1 weight  0.92308E+00 volume  0.29960E-02 ppm1      8.187 ppm2      0.862 CV     1
 ASSI {  169}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      4.400     2.400     1.600 peak   169 spectrum    1 weight  0.92308E+00 volume  0.24836E-03 ppm1      8.188 ppm2      2.260 CV     1
 ASSI {  170}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.92308E+00 volume  0.30970E-02 ppm1      8.188 ppm2      4.475 CV     1
 ASSI {  171}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.700     1.700     1.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      8.327 ppm2      3.069 CV     1
 ASSI {  172}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.100     0.600     0.600 peak   172 spectrum    1 weight  0.92308E+00 volume  0.59039E-02 ppm1      8.332 ppm2      5.046 CV     1
 ASSI {  173}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.900     1.900     1.900 peak   173 spectrum    1 weight  0.92308E+00 volume  0.99980E-03 ppm1      8.527 ppm2      3.924 CV     1
 ASSI {  175}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.700     1.700     1.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.44783E-03 ppm1      8.524 ppm2      1.101 CV     1
 ASSI {  176}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.52255E-02 ppm1      9.286 ppm2      5.006 CV     1
 ASSI {  177}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.700     1.800     1.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.11242E-02 ppm1      9.287 ppm2      3.365 CV     1
 ASSI {  178}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.18160E-02 ppm1      9.288 ppm2      2.487 CV     1
 ASSI {  179}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      3.900     1.900     1.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.95884E-03 ppm1      8.318 ppm2      3.649 CV     1
 ASSI {  180}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      3.000     1.200     1.200 peak   180 spectrum    1 weight  0.86391E+00 volume  0.14519E-02 ppm1      8.322 ppm2      4.331 CV     1
 ASSI {  181}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.14916E-02 ppm1      9.453 ppm2      9.283 CV     1
 ASSI {  182}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.400     1.400 peak   182 spectrum    1 weight  0.58974E+00 volume  0.00000E+00 ppm1      8.887 ppm2      7.782 CV     1
 ASSI {  188}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.400     1.400     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.52614E-03 ppm1      7.648 ppm2      3.930 CV     1
 ASSI {  189}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.100     1.200     1.200 peak   189 spectrum    1 weight  0.92308E+00 volume  0.31052E-02 ppm1      8.547 ppm2      3.050 CV     1
 ASSI {  190}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      3.800     1.800     1.800 peak   190 spectrum    1 weight  0.92308E+00 volume  0.14843E-02 ppm1      8.505 ppm2      4.029 CV     1
 ASSI {  191}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      4.300     2.300     1.700 peak   191 spectrum    1 weight  0.92308E+00 volume  0.94303E-03 ppm1      8.508 ppm2      1.160 CV     1
 ASSI {  194}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.100     2.100     1.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.78252E-03 ppm1      8.489 ppm2      3.707 CV     1
 ASSI {  195}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.000     2.000     2.000 peak   195 spectrum    1 weight  0.92308E+00 volume  0.14209E-02 ppm1      8.488 ppm2      3.788 CV     1
 ASSI {  196}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.200     2.200     1.800 peak   196 spectrum    1 weight  0.92308E+00 volume  0.10011E-02 ppm1      8.229 ppm2      3.839 CV     1
 ASSI {  198}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   198 spectrum    1 weight  0.86391E+00 volume  0.16693E-02 ppm1      8.230 ppm2      4.597 CV     1
 ASSI {  199}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.800     1.800     1.800 peak   199 spectrum    1 weight  0.92308E+00 volume  0.58761E-03 ppm1      8.417 ppm2      2.165 CV     1
 ASSI {  200}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG1%)
      3.500     1.500     1.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.17896E-02 ppm1      8.417 ppm2      0.893 CV     1
 ASSI {  201}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.42138E-03 ppm1      8.056 ppm2      2.756 CV     1
 ASSI {  202}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.200     2.200     1.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.37630E-03 ppm1      8.057 ppm2      2.811 CV     1
 ASSI {  203}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.200     1.300     1.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.79943E-03 ppm1      8.115 ppm2      2.642 CV     1
 ASSI {  204}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak   204 spectrum    1 weight  0.86391E+00 volume  0.16922E-02 ppm1      8.111 ppm2      4.333 CV     1
 ASSI {  205}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.900     1.000     1.000 peak   205 spectrum    1 weight  0.86391E+00 volume  0.25819E-02 ppm1      7.931 ppm2      4.275 CV     1
 ASSI {  209}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.300     0.600     0.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.38484E-02 ppm1      8.862 ppm2      4.829 CV     1
 ASSI {  210}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      3.500     1.500     1.500 peak   210 spectrum    1 weight  0.10000E+01 volume  0.69774E-03 ppm1      8.864 ppm2      2.299 CV     1
 ASSI {  211}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      4.500     2.600     1.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.48818E-03 ppm1      8.860 ppm2      1.972 CV     1
 ASSI {  212}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.100     2.100     1.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.27115E-03 ppm1      8.860 ppm2      1.845 CV     1
 ASSI {  213}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.700     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.37155E-02 ppm1      8.643 ppm2      1.411 CV     1
 ASSI {  233}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.100     2.200     1.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.73069E-03 ppm1      8.156 ppm2      1.955 CV     1
 ASSI {  234}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.200     2.200     1.800 peak   234 spectrum    1 weight  0.92308E+00 volume  0.10961E-02 ppm1      8.158 ppm2      2.050 CV     1
 ASSI {  235}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      4.300     2.300     1.700 peak   235 spectrum    1 weight  0.10000E+01 volume  0.67481E-03 ppm1      8.155 ppm2      2.294 CV     1
 ASSI {  237}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HB% )
      3.300     1.300     1.300 peak   237 spectrum    1 weight  0.92308E+00 volume  0.19557E-02 ppm1      8.195 ppm2      1.323 CV     1
 ASSI {  253}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     5.100     0.000 peak   253 spectrum    1 weight  0.96379E+00 volume  0.49520E-04 ppm1      3.133 ppm2      4.275 CV     1
 ASSI {  254}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      4.600     2.700     1.400 peak   254 spectrum    1 weight  0.92308E+00 volume  0.37427E-03 ppm1      3.035 ppm2      4.271 CV     1
 ASSI {  256}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      4.300     2.300     1.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.28426E-03 ppm1      2.943 ppm2      5.461 CV     1
 ASSI {  258}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      5.200     3.300     0.800 peak   258 spectrum    1 weight  0.92308E+00 volume  0.13799E-03 ppm1      2.559 ppm2      5.455 CV     1
 ASSI {  261}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      5.300     3.500     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.62250E-04 ppm1      2.734 ppm2      5.262 CV     1
 ASSI {  268}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.400     1.400 peak   268 spectrum    1 weight  0.66667E+00 volume  0.00000E+00 ppm1      3.908 ppm2      5.546 CV     1
 ASSI {  275}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.500     1.500 peak   275 spectrum    1 weight  0.91430E+00 volume  0.13286E-02 ppm1      3.697 ppm2      5.255 CV     1
 ASSI {  287}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
      4.300     2.300     1.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.29343E-03 ppm1      9.141 ppm2      2.433 CV     1
 ASSI {  288}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.500     2.500     1.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.50590E-03 ppm1      9.134 ppm2      2.034 CV     1
 ASSI {  289}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.23955E-02 ppm1      9.141 ppm2      4.137 CV     1
 ASSI {  303}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   303 spectrum    1 weight  0.92308E+00 volume  0.78068E-02 ppm1      8.346 ppm2      4.388 CV     1
 ASSI {  311}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      5.400     3.700     0.600 peak   311 spectrum    1 weight  0.92352E+00 volume  0.44938E-04 ppm1      8.432 ppm2      3.671 CV     1
 ASSI {  312}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     5.100     0.000 peak   312 spectrum    1 weight  0.92308E+00 volume  0.71161E-04 ppm1      8.428 ppm2      3.913 CV     1
 ASSI {  313}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      3.400     1.500     1.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.19922E-03 ppm1      8.353 ppm2      3.926 CV     1
 ASSI {  322}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.700     0.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.57930E-02 ppm1      8.728 ppm2      4.584 CV     1
 ASSI {  323}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.400     1.400 peak   323 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      8.450 ppm2      1.737 CV     1
 ASSI {  324}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.50189E-02 ppm1      8.448 ppm2      4.504 CV     1
 ASSI {  325}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.200     1.200 peak   325 spectrum    1 weight  0.92308E+00 volume  0.17865E-02 ppm1      8.419 ppm2      4.163 CV     1
 ASSI {  327}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   327 spectrum    1 weight  0.92308E+00 volume  0.74381E-02 ppm1      8.511 ppm2      4.643 CV     1
 ASSI {  328}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      4.200     2.300     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.65153E-03 ppm1      8.031 ppm2      3.934 CV     1
 ASSI {  329}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.400     1.500     1.500 peak   329 spectrum    1 weight  0.10000E+01 volume  0.19426E-03 ppm1      7.700 ppm2      3.838 CV     1
 ASSI {  330}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.500     2.600     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.36686E-03 ppm1      7.698 ppm2      4.052 CV     1
 ASSI {  331}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      5.300     3.400     0.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.24302E-03 ppm1      7.700 ppm2      4.210 CV     1
 ASSI {  334}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      4.200     2.200     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.32130E-03 ppm1      9.531 ppm2      1.160 CV     1
 ASSI {  335}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.700     1.700     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.76431E-03 ppm1      9.539 ppm2      2.564 CV     1
 ASSI {  337}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
      3.400     1.500     1.500 peak   337 spectrum    1 weight  0.10000E+01 volume  0.62709E-03 ppm1      9.121 ppm2      1.573 CV     1
 ASSI {  340}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 56   and name HG  ))
      4.300     2.300     1.700 peak   340 spectrum    1 weight  0.97434E+00 volume  0.44899E-03 ppm1      9.287 ppm2      1.374 CV     1
 ASSI {  341}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      3.500     1.500     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.10281E-02 ppm1      9.128 ppm2      0.778 CV     1
 ASSI {  343}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.000     1.100     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.96327E-03 ppm1      9.286 ppm2      3.496 CV     1
 ASSI {  345}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.900     1.900     1.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.11266E-02 ppm1      8.323 ppm2      2.776 CV     1
 ASSI {  348}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.900     1.900     1.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.77793E-03 ppm1      8.026 ppm2      1.676 CV     1
 ASSI {  349}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.500     2.600     1.500 peak   349 spectrum    1 weight  0.10000E+01 volume  0.46286E-03 ppm1      8.192 ppm2      1.557 CV     1
 ASSI {  350}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      3.900     1.900     1.900 peak   350 spectrum    1 weight  0.92308E+00 volume  0.83037E-03 ppm1      8.191 ppm2      1.486 CV     1
 ASSI {  355}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.17907E-02 ppm1      8.309 ppm2      1.432 CV     1
 ASSI {  357}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD1 ))
      2.800     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.61179E-03 ppm1      8.140 ppm2      1.110 CV     1
 ASSI {  358}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.700     1.700     1.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.57335E-03 ppm1      8.138 ppm2      1.025 CV     1
 ASSI {  363}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      4.500     2.500     1.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.41475E-03 ppm1      7.698 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.800     1.000     1.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.15541E-02 ppm1      7.699 ppm2      1.676 CV     1
 ASSI {  365}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.86895E-03 ppm1      7.651 ppm2      1.676 CV     1
 ASSI {  369}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   369 spectrum    1 weight  0.92308E+00 volume  0.44718E-02 ppm1      8.192 ppm2      4.236 CV     1
 ASSI {  371}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.800     2.800     1.200 peak   371 spectrum    1 weight  0.10000E+01 volume  0.47483E-03 ppm1      8.191 ppm2      0.798 CV     1
 ASSI {  378}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG  ))
      5.000     3.200     1.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.25765E-03 ppm1      8.314 ppm2      1.379 CV     1
 ASSI {  381}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak   381 spectrum    1 weight  0.86391E+00 volume  0.20694E-02 ppm1      8.679 ppm2      0.863 CV     1
 ASSI {  382}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 1    and name HB  ))
      3.200     1.300     1.300 peak   382 spectrum    1 weight  0.10000E+01 volume  0.73848E-03 ppm1      8.489 ppm2      1.982 CV     1
 ASSI {  383}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak   383 spectrum    1 weight  0.92308E+00 volume  0.18095E-02 ppm1      8.414 ppm2      8.044 CV     1
 ASSI {  384}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      5.200     3.400     0.800 peak   384 spectrum    1 weight  0.92308E+00 volume  0.91147E-04 ppm1      8.053 ppm2      2.623 CV     1
 ASSI {  385}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   385 spectrum    1 weight  0.10000E+01 volume  0.11530E-02 ppm1      8.359 ppm2      7.542 CV     1
 ASSI {  386}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.70243E-03 ppm1      8.334 ppm2      8.177 CV     1
 ASSI {  387}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.500     1.500 peak   387 spectrum    1 weight  0.86391E+00 volume  0.23757E-02 ppm1      8.366 ppm2      8.146 CV     1
 ASSI {  388}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.400     2.400     1.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.29661E-03 ppm1      8.641 ppm2      8.180 CV     1
 ASSI {  389}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.400     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.74165E-03 ppm1      8.641 ppm2      8.353 CV     1
 ASSI {  390}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.300     2.300     1.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.77347E-03 ppm1      9.127 ppm2      8.677 CV     1
 ASSI {  391}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.44162E-03 ppm1      9.139 ppm2      8.310 CV     1
 ASSI {  392}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.800     2.900     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.31252E-03 ppm1      9.293 ppm2      8.313 CV     1
 ASSI {  393}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      5.300     3.400     0.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.18980E-03 ppm1      9.289 ppm2      8.136 CV     1
 ASSI {  394}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 23   and name HE3 ))
      3.200     1.300     1.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.10372E-02 ppm1      9.236 ppm2      7.375 CV     1
 ASSI {  395}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HE3 ))
      3.700     1.700     1.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.64439E-03 ppm1      9.123 ppm2      7.375 CV     1
 ASSI {  396}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 45   and name HD% )
      3.900     1.900     1.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.81117E-03 ppm1      9.453 ppm2      6.770 CV     1
 ASSI {  398}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 45   and name HD% )
      3.500     1.500     1.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.50183E-03 ppm1      8.865 ppm2      6.772 CV     1
 ASSI {  402}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   402 spectrum    1 weight  0.96095E+00 volume  0.40531E-03 ppm1      8.199 ppm2      7.553 CV     1
 ASSI {  403}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.100     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.55110E-02 ppm1      8.139 ppm2      3.500 CV     1
 ASSI {  404}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD% )
      3.700     1.700     1.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.99728E-03 ppm1      9.288 ppm2      6.765 CV     1
 ASSI {  405}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.400     2.400     1.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.46936E-03 ppm1      7.551 ppm2      0.861 CV     1
 ASSI {  408}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 15   and name HA  ))
      4.000     2.000     2.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.67776E-03 ppm1      7.385 ppm2      5.317 CV     1
 ASSI {  413}
   (( segid "    " and resid 23   and name HZ3 ))
   (( segid "    " and resid 15   and name HB1 ))
      3.800     1.900     1.900 peak   413 spectrum    1 weight  0.72651E+00 volume  0.34856E-03 ppm1      6.885 ppm2      3.112 CV     1
 ASSI {  414}
   (( segid "    " and resid 23   and name HE1 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.900     1.900     1.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.84121E-03 ppm1     10.100 ppm2      2.622 CV     1
 ASSI {  416}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak   416 spectrum    1 weight  0.86391E+00 volume  0.83367E-02 ppm1      8.153 ppm2      4.170 CV     1
 ASSI {    1}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak     1 spectrum    1 weight  0.86391E+00 volume  0.90526E-03 ppm1      5.487 ppm2      5.324 CV     1
 ASSI {    1}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HD2 ))
      2.700     0.900     0.900 peak     1 spectrum    1 weight  0.10000E+01 volume  0.23822E-02 ppm1      5.172 ppm2      3.803 CV     1
 ASSI {    2}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
      2.600     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.14551E-02 ppm1      5.174 ppm2      3.630 CV     1
 ASSI {    7}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.300     2.300     1.700 peak     7 spectrum    1 weight  0.10000E+01 volume  0.21066E-03 ppm1      5.270 ppm2      3.202 CV     1
 ASSI {   36}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HD2 ))
      2.700     0.900     0.900 peak    36 spectrum    1 weight  0.92308E+00 volume  0.33346E-02 ppm1      5.272 ppm2      3.837 CV     1
 ASSI {   37}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
      2.300     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.24085E-02 ppm1      5.270 ppm2      3.719 CV     1
 ASSI {  128}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   128 spectrum    1 weight  0.92308E+00 volume  0.17350E-02 ppm1      5.491 ppm2      5.070 CV     1
 ASSI {  129}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.16436E-02 ppm1      4.876 ppm2      3.792 CV     1
 ASSI {  150}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.29452E-02 ppm1      5.030 ppm2      3.505 CV     1
 ASSI {  152}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      5.200     3.400     0.800 peak   152 spectrum    1 weight  0.79323E+00 volume  0.29561E-04 ppm1      5.030 ppm2      1.550 CV     1
 ASSI {  153}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.300     2.400     1.700 peak   153 spectrum    1 weight  0.92308E+00 volume  0.76208E-03 ppm1      5.034 ppm2      1.393 CV     1
 ASSI {  154}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
      6.000     6.000     0.000 peak   154 spectrum    1 weight  0.75220E+00 volume  0.22765E-04 ppm1      5.028 ppm2      1.284 CV     1
 ASSI {  155}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.200     2.200     1.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.46849E-03 ppm1      5.033 ppm2      1.123 CV     1
 ASSI {  156}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 55   and name HD1 ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.86969E-04 ppm1      5.027 ppm2      0.885 CV     1
 ASSI {  163}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HD2 ))
      2.900     1.100     1.100 peak   163 spectrum    1 weight  0.10000E+01 volume  0.23055E-02 ppm1      5.147 ppm2      3.734 CV     1
 ASSI {  170}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 1    and name HB  ))
      4.400     2.400     1.600 peak   170 spectrum    1 weight  0.92308E+00 volume  0.90549E-03 ppm1      3.560 ppm2      1.999 CV     1
 ASSI {  202}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HD2 ))
      2.400     0.700     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.31185E-02 ppm1      4.458 ppm2      3.551 CV     1
 ASSI {  203}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HD1 ))
      2.200     0.600     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.45950E-02 ppm1      4.457 ppm2      3.756 CV     1
 ASSI {  223}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      2.300     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.47893E-02 ppm1      4.281 ppm2      3.920 CV     1
 ASSI {  260}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      2.500     0.800     0.800 peak   260 spectrum    1 weight  0.92308E+00 volume  0.31073E-02 ppm1      4.275 ppm2      3.671 CV     1
 ASSI {  343}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 2    and name HD2 ))
      4.600     2.700     1.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.12343E-02 ppm1      0.880 ppm2      3.549 CV     1
 ASSI {  344}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 2    and name HD2 ))
      5.600     3.900     0.400 peak   344 spectrum    1 weight  0.92308E+00 volume  0.31198E-03 ppm1      0.853 ppm2      3.563 CV     1
 ASSI {  347}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 2    and name HD1 ))
      4.500     2.500     1.500 peak   347 spectrum    1 weight  0.92308E+00 volume  0.14833E-02 ppm1      0.881 ppm2      3.751 CV     1
 ASSI {  348}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 2    and name HD1 ))
      4.800     2.800     1.200 peak   348 spectrum    1 weight  0.92308E+00 volume  0.48378E-03 ppm1      0.853 ppm2      3.753 CV     1
 ASSI {  420}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.900     1.100     1.100 peak   420 spectrum    1 weight  0.91147E+00 volume  0.27522E-02 ppm1      3.043 ppm2      3.377 CV     1
 ASSI {  425}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      2.700     0.900     0.900 peak   425 spectrum    1 weight  0.97516E+00 volume  0.43215E-02 ppm1      2.974 ppm2      3.113 CV     1
 ASSI {  479}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.99110E+00 volume  0.22133E-02 ppm1      1.966 ppm2      2.575 CV     1
 ASSI {  480}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 13   and name HB1 ))
      4.100     2.100     1.900 peak   480 spectrum    1 weight  0.91042E+00 volume  0.69308E-03 ppm1      1.965 ppm2      2.496 CV     1
 ASSI {  510}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 54   and name HB1 ))
      2.900     1.100     1.100 peak   510 spectrum    1 weight  0.92308E+00 volume  0.19716E-02 ppm1      0.905 ppm2      1.989 CV     1
 ASSI {  511}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
      3.300     1.400     1.400 peak   511 spectrum    1 weight  0.92308E+00 volume  0.18019E-02 ppm1      0.905 ppm2      1.865 CV     1
 ASSI {  553}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
      5.000     3.100     1.000 peak   553 spectrum    1 weight  0.92308E+00 volume  0.41815E-03 ppm1      2.912 ppm2      3.623 CV     1
 ASSI {  554}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HD1 ))
      5.300     3.500     0.700 peak   554 spectrum    1 weight  0.92308E+00 volume  0.35028E-03 ppm1      2.973 ppm2      3.626 CV     1
 ASSI {  556}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HD2 ))
      4.200     2.200     1.800 peak   556 spectrum    1 weight  0.92308E+00 volume  0.79911E-03 ppm1      2.989 ppm2      3.835 CV     1
 ASSI {  557}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HD2 ))
      4.100     2.100     1.900 peak   557 spectrum    1 weight  0.92308E+00 volume  0.57028E-03 ppm1      2.922 ppm2      3.807 CV     1
 ASSI {  563}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.000     2.000     2.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.33013E-03 ppm1      2.005 ppm2      2.976 CV     1
 ASSI {  582}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 43   and name HG2 ))
      4.000     2.000     2.000 peak   582 spectrum    1 weight  0.96095E+00 volume  0.60843E-03 ppm1      0.943 ppm2      2.433 CV     1
 OR {  582}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 43   and name HG1 ))
 OR {  582}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 43   and name HG2 ))
 OR {  582}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
 ASSI {  584}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 32   and name HB  ))
      3.700     1.700     1.700 peak   584 spectrum    1 weight  0.87182E+00 volume  0.31391E-03 ppm1      1.043 ppm2      2.135 CV     1
 OR {  584}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 32   and name HB  ))
 ASSI {  596}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HB2 ))
      4.700     2.700     1.300 peak   596 spectrum    1 weight  0.92308E+00 volume  0.29187E-03 ppm1      1.423 ppm2      2.114 CV     1
 ASSI {  597}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
      4.500     2.500     1.500 peak   597 spectrum    1 weight  0.95190E+00 volume  0.88094E-03 ppm1      1.467 ppm2      1.686 CV     1
 OR {  597}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  597}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  644}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.92308E+00 volume  0.11603E-02 ppm1      2.968 ppm2      3.246 CV     1
 ASSI {  645}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.900     1.900     1.900 peak   645 spectrum    1 weight  0.92308E+00 volume  0.92702E-03 ppm1      2.923 ppm2      3.244 CV     1
 ASSI {  647}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 6    and name HG1%)
      4.700     2.800     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.49956E-03 ppm1      4.575 ppm2      0.896 CV     1
 ASSI {  650}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.500     1.500     1.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.35833E-03 ppm1      3.839 ppm2      2.562 CV     1
 ASSI {  651}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 13   and name HB1 ))
      4.200     2.200     1.800 peak   651 spectrum    1 weight  0.92308E+00 volume  0.26423E-03 ppm1      3.840 ppm2      2.497 CV     1
 ASSI {  652}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 13   and name HB1 ))
      4.700     2.700     1.300 peak   652 spectrum    1 weight  0.92308E+00 volume  0.73799E-03 ppm1      3.723 ppm2      2.496 CV     1
 ASSI {  653}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 13   and name HB2 ))
      4.100     2.100     1.900 peak   653 spectrum    1 weight  0.92308E+00 volume  0.11200E-02 ppm1      3.723 ppm2      2.561 CV     1
 ASSI {  654}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.800     1.800     1.800 peak   654 spectrum    1 weight  0.86391E+00 volume  0.11165E-02 ppm1      3.216 ppm2      2.575 CV     1
 ASSI {  655}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 13   and name HB1 ))
      3.900     1.900     1.900 peak   655 spectrum    1 weight  0.86391E+00 volume  0.81980E-03 ppm1      3.215 ppm2      2.494 CV     1
 ASSI {  656}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
      5.200     3.400     0.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.49141E-03 ppm1      4.280 ppm2      1.979 CV     1
 ASSI {  657}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      5.400     3.600     0.600 peak   657 spectrum    1 weight  0.92308E+00 volume  0.41533E-03 ppm1      4.276 ppm2      2.056 CV     1
 ASSI {  658}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      3.900     1.900     1.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.73457E-03 ppm1      4.275 ppm2      1.177 CV     1
 ASSI {  659}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
      5.300     3.500     0.700 peak   659 spectrum    1 weight  0.93289E+00 volume  0.10067E-03 ppm1      3.256 ppm2      1.174 CV     1
 ASSI {  660}
   (( segid "    " and resid 29   and name HD1 ))
   (  segid "    " and resid 14   and name HG2%)
      3.300     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.26660E-03 ppm1      3.678 ppm2      1.174 CV     1
 ASSI {  661}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 14   and name HG2%)
      3.800     1.800     1.800 peak   661 spectrum    1 weight  0.92308E+00 volume  0.72367E-03 ppm1      2.968 ppm2      1.175 CV     1
 ASSI {  662}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
      3.500     1.600     1.600 peak   662 spectrum    1 weight  0.92308E+00 volume  0.51075E-03 ppm1      2.924 ppm2      1.181 CV     1
 ASSI {  663}
   (( segid "    " and resid 23   and name HZ2 ))
   (( segid "    " and resid 17   and name HG1 ))
      3.300     1.400     1.400 peak   663 spectrum    1 weight  0.10000E+01 volume  0.24001E-03 ppm1      7.420 ppm2      1.462 CV     1
 ASSI {  664}
   (( segid "    " and resid 23   and name HZ2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.92308E+00 volume  0.56753E-03 ppm1      7.417 ppm2      0.882 CV     1
 ASSI {  665}
   (( segid "    " and resid 23   and name HZ2 ))
   (( segid "    " and resid 17   and name HB1 ))
      5.600     4.000     0.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.16757E-03 ppm1      7.418 ppm2      0.651 CV     1
 ASSI {  667}
   (( segid "    " and resid 23   and name HH2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.800     1.800     1.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.33767E-03 ppm1      7.164 ppm2      0.888 CV     1
 ASSI {  668}
   (( segid "    " and resid 23   and name HH2 ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     4.800     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.85986E-04 ppm1      7.165 ppm2      0.643 CV     1
 ASSI {  669}
   (( segid "    " and resid 23   and name HH2 ))
   (( segid "    " and resid 17   and name HG1 ))
      3.800     1.800     1.800 peak   669 spectrum    1 weight  0.10000E+01 volume  0.10894E-03 ppm1      7.165 ppm2      1.460 CV     1
 ASSI {  670}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 4    and name HB2 ))
      4.400     2.400     1.600 peak   670 spectrum    1 weight  0.92308E+00 volume  0.28304E-03 ppm1      7.314 ppm2      2.634 CV     1
 ASSI {  671}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 15   and name HB1 ))
      3.700     1.700     1.700 peak   671 spectrum    1 weight  0.92308E+00 volume  0.39968E-03 ppm1      7.398 ppm2      3.120 CV     1
 ASSI {  672}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   672 spectrum    1 weight  0.10000E+01 volume  0.41669E-03 ppm1      7.400 ppm2      3.795 CV     1
 ASSI {  674}
   (( segid "    " and resid 23   and name HZ3 ))
   (( segid "    " and resid 17   and name HB2 ))
      4.200     2.300     1.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.25234E-03 ppm1      6.888 ppm2      0.874 CV     1
 ASSI {  675}
   (( segid "    " and resid 23   and name HZ3 ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     4.800     0.000 peak   675 spectrum    1 weight  0.92308E+00 volume  0.97507E-04 ppm1      6.899 ppm2      0.654 CV     1
 ASSI {  680}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HG1 ))
      4.500     2.600     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.12696E-02 ppm1      5.268 ppm2      1.994 CV     1
 ASSI {  683}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      3.200     1.300     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.26880E-02 ppm1      4.151 ppm2      0.937 CV     1
 OR {  683}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  684}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 28   and name HB  ))
      4.100     2.100     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.81498E-03 ppm1      3.675 ppm2      1.791 CV     1
 ASSI {  689}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak   689 spectrum    1 weight  0.90269E+00 volume  0.89937E-03 ppm1      6.795 ppm2      4.846 CV     1
 ASSI {  690}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.600     1.600 peak   690 spectrum    1 weight  0.86582E+00 volume  0.11569E-02 ppm1      6.797 ppm2      3.503 CV     1
 ASSI {  691}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 53   and name HB1 ))
      3.900     1.900     1.900 peak   691 spectrum    1 weight  0.92308E+00 volume  0.75885E-03 ppm1      6.785 ppm2      2.922 CV     1
 ASSI {  692}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HE2 ))
      4.000     2.000     2.000 peak   692 spectrum    1 weight  0.71213E+00 volume  0.12314E-02 ppm1      6.798 ppm2      2.869 CV     1
 OR {  692}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HE1 ))
 ASSI {  694}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 42   and name HB1 ))
      4.500     2.500     1.500 peak   694 spectrum    1 weight  0.91679E+00 volume  0.77175E-03 ppm1      6.785 ppm2      1.751 CV     1
 ASSI {  695}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 42   and name HG2 ))
      3.600     1.600     1.600 peak   695 spectrum    1 weight  0.90269E+00 volume  0.48734E-03 ppm1      6.795 ppm2      1.691 CV     1
 ASSI {  696}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      3.500     1.500     1.500 peak   696 spectrum    1 weight  0.81176E+00 volume  0.35154E-03 ppm1      6.800 ppm2      1.519 CV     1
 ASSI {  697}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HB1 ))
      3.900     1.900     1.900 peak   697 spectrum    1 weight  0.73484E+00 volume  0.15261E-02 ppm1      6.800 ppm2      1.418 CV     1
 ASSI {  698}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 42   and name HG1 ))
      4.400     2.400     1.600 peak   698 spectrum    1 weight  0.71563E+00 volume  0.95554E-03 ppm1      6.798 ppm2      1.349 CV     1
 ASSI {  700}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HG1 ))
      4.500     2.600     1.500 peak   700 spectrum    1 weight  0.85172E+00 volume  0.42600E-03 ppm1      6.798 ppm2      1.051 CV     1
 OR {  700}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  701}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HD1 ))
      4.400     2.400     1.600 peak   701 spectrum    1 weight  0.83254E+00 volume  0.76823E-03 ppm1      6.799 ppm2      0.867 CV     1
 ASSI {  282}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.400     1.400     1.400 peak   282 spectrum    1 weight  0.49145E+00 volume  0.00000E+00 ppm1      4.770 ppm2      3.853 CV     1
 OR {  282}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  342}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.900     1.900     1.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.10413E-02 ppm1      9.287 ppm2      2.769 CV     1
 OR {  342}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  421}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.800     1.000     1.000 peak   421 spectrum    1 weight  0.98890E+00 volume  0.21999E-02 ppm1      2.801 ppm2      3.384 CV     1
 OR {  421}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  421}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  429}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      2.700     0.900     0.900 peak   429 spectrum    1 weight  0.91809E+00 volume  0.28064E-02 ppm1      3.391 ppm2      2.788 CV     1
 OR {  429}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  429}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  546}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      5.000     3.100     1.000 peak   546 spectrum    1 weight  0.86391E+00 volume  0.44886E-03 ppm1      2.783 ppm2      5.029 CV     1
 OR {  546}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  546}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  560}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.600     1.600 peak   560 spectrum    1 weight  0.92308E+00 volume  0.15189E-02 ppm1      2.573 ppm2      3.217 CV     1
 OR {  560}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  581}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 16   and name HB1 ))
      5.300     3.500     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.15966E-03 ppm1      1.182 ppm2      3.244 CV     1
 OR {  581}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  588}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 28   and name HB  ))
      5.000     3.100     1.000 peak   588 spectrum    1 weight  0.96095E+00 volume  0.22402E-03 ppm1      1.175 ppm2      1.787 CV     1
 OR {  588}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  693}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 41   and name HB1 ))
      3.200     1.300     1.300 peak   693 spectrum    1 weight  0.92308E+00 volume  0.31927E-02 ppm1      6.786 ppm2      2.778 CV     1
 OR {  693}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 42   and name HD1 ))
 OR {  693}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  699}
   (  segid "    " and resid 45   and name HD% )
   (( segid "    " and resid 55   and name HD2 ))
      4.000     2.000     2.000 peak   699 spectrum    1 weight  0.81176E+00 volume  0.10239E-02 ppm1      6.800 ppm2      1.125 CV     1
 OR {  699}
   (  segid "    " and resid 45   and name HD% )
   (  segid "    " and resid 46   and name HG2%)
! This file contains the hydrogen bond constraints...

assign (resid  16 and name HN   ) (resid  24 and name O   )    1.800    0.000    0.200
assign (resid  16 and name  N   ) (resid  24 and name O   )    2.700    0.000    0.300
assign (resid  26 and name HN   ) (resid  14 and name O   )    1.800    0.000    0.200
assign (resid  26 and name  N   ) (resid  14 and name O   )    2.700    0.000    0.300
assign (resid  24 and name HN   ) (resid  16 and name O   )    1.800    0.000    0.200
assign (resid  24 and name  N   ) (resid  16 and name O   )    2.700    0.000    0.300
assign (resid  46 and name HN   ) (resid  54 and name O   )    1.800    0.000    0.200
assign (resid  46 and name  N   ) (resid  54 and name O   )    2.700    0.000    0.300
assign (resid  54 and name HN   ) (resid  46 and name O   )    1.800    0.000    0.200
assign (resid  54 and name  N   ) (resid  46 and name O   )    2.700    0.000    0.300

! Output generated by user pwang on 13.08.2002.
! Script: /home/software_linux/nmr/bin/topcat.pl 
! Phi:
assign (resid   15 and name C)
       (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       1.0 -120  20 2
assign (resid   17 and name C)
       (resid   18 and name N)
       (resid   18 and name CA)
       (resid   18 and name C)
       1.0 -120  20 2
assign (resid   21 and name C)
       (resid   22 and name N)
       (resid   22 and name CA)
       (resid   22 and name C)
       1.0 -120  31 2
assign (resid   45 and name C)
       (resid   46 and name N)
       (resid   46 and name CA)
       (resid   46 and name C)
       1.0 -120  20 2
! Output generated by user pwang on 11.06.2002.
! Script: /home/software_linux/nmr/bin/topcat.pl 
! Phi:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -135  50 2
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -135  50 2
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -135  50 2
assign (resid   9 and name C)
       (resid   10 and name N)
       (resid   10 and name CA)
       (resid   10 and name C)
       1.0 -135  50 2
assign (resid   12 and name C)
       (resid   13 and name N)
       (resid   13 and name CA)
       (resid   13 and name C)
       1.0 -135  50 2
assign (resid   13 and name C)
       (resid   14 and name N)
       (resid   14 and name CA)
       (resid   14 and name C)
       1.0 -135  50 2
assign (resid   14 and name C)
       (resid   15 and name N)
       (resid   15 and name CA)
       (resid   15 and name C)
       1.0 -135  50 2
assign (resid   15 and name C)
       (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       1.0 -135  50 2
assign (resid   22 and name C)
       (resid   23 and name N)
       (resid   23 and name CA)
       (resid   23 and name C)
       1.0 -135  50 2
assign (resid   23 and name C)
       (resid   24 and name N)
       (resid   24 and name CA)
       (resid   24 and name C)
       1.0 -135  50 2
assign (resid   24 and name C)
       (resid   25 and name N)
       (resid   25 and name CA)
       (resid   25 and name C)
       1.0 -135  50 2
assign (resid   25 and name C)
       (resid   26 and name N)
       (resid   26 and name CA)
       (resid   26 and name C)
       1.0 -135  50 2
assign (resid   44 and name C)
       (resid   45 and name N)
       (resid   45 and name CA)
       (resid   45 and name C)
       1.0 -135  50 2
assign (resid   45 and name C)
       (resid   46 and name N)
       (resid   46 and name CA)
       (resid   46 and name C)
       1.0 -135  50 2
assign (resid   46 and name C)
       (resid   47 and name N)
       (resid   47 and name CA)
       (resid   47 and name C)
       1.0 -135  50 2
assign (resid   47 and name C)
       (resid   48 and name N)
       (resid   48 and name CA)
       (resid   48 and name C)
       1.0 -135  50 2
assign (resid   51 and name C)
       (resid   52 and name N)
       (resid   52 and name CA)
       (resid   52 and name C)
       1.0 -135  50 2
assign (resid   52 and name C)
       (resid   53 and name N)
       (resid   53 and name CA)
       (resid   53 and name C)
       1.0 -135  50 2
assign (resid   53 and name C)
       (resid   54 and name N)
       (resid   54 and name CA)
       (resid   54 and name C)
       1.0 -135  50 2

! Psi:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 135  50 2
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 135  50 2
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid   10 and name N)
       1.0 135  50 2
assign (resid   10 and name N)
       (resid   10 and name CA)
       (resid   10 and name C)
       (resid   11 and name N)
       1.0 135  50 2
assign (resid   13 and name N)
       (resid   13 and name CA)
       (resid   13 and name C)
       (resid   14 and name N)
       1.0 135  50 2
assign (resid   14 and name N)
       (resid   14 and name CA)
       (resid   14 and name C)
       (resid   15 and name N)
       1.0 135  50 2
assign (resid   15 and name N)
       (resid   15 and name CA)
       (resid   15 and name C)
       (resid   16 and name N)
       1.0 135  50 2
assign (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       (resid   17 and name N)
       1.0 135  50 2
assign (resid   23 and name N)
       (resid   23 and name CA)
       (resid   23 and name C)
       (resid   24 and name N)
       1.0 135  50 2
assign (resid   24 and name N)
       (resid   24 and name CA)
       (resid   24 and name C)
       (resid   25 and name N)
       1.0 135  50 2
assign (resid   25 and name N)
       (resid   25 and name CA)
       (resid   25 and name C)
       (resid   26 and name N)
       1.0 135  50 2
assign (resid   26 and name N)
       (resid   26 and name CA)
       (resid   26 and name C)
       (resid   27 and name N)
       1.0 135  50 2
assign (resid   45 and name N)
       (resid   45 and name CA)
       (resid   45 and name C)
       (resid   46 and name N)
       1.0 135  50 2
assign (resid   46 and name N)
       (resid   46 and name CA)
       (resid   46 and name C)
       (resid   47 and name N)
       1.0 135  50 2
assign (resid   47 and name N)
       (resid   47 and name CA)
       (resid   47 and name C)
       (resid   48 and name N)
       1.0 135  50 2
assign (resid   48 and name N)
       (resid   48 and name CA)
       (resid   48 and name C)
       (resid   49 and name N)
       1.0 135  50 2
assign (resid   52 and name N)
       (resid   52 and name CA)
       (resid   52 and name C)
       (resid   53 and name N)
       1.0 135  50 2
assign (resid   53 and name N)
       (resid   53 and name CA)
       (resid   53 and name C)
       (resid   54 and name N)
       1.0 135  50 2
assign (resid   54 and name N)
       (resid   54 and name CA)
       (resid   54 and name C)
       (resid   55 and name N)
       1.0 135  50 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    VAL   1           HT1      VAL   1  13.134   4.976  -6.392
    2    HA   VAL   1           HA       VAL   1  13.867   4.212  -4.394
    3    HB   VAL   1           HB       VAL   1  15.107   1.988  -5.960
    4   HG11  VAL   1          1HG1      VAL   1  14.036   0.599  -4.380
    5   HG12  VAL   1          2HG1      VAL   1  12.971   1.900  -3.846
    6   HG13  VAL   1          3HG1      VAL   1  14.692   1.957  -3.465
    7   HG21  VAL   1          3HG2      VAL   1  12.130   2.268  -5.916
    8   HG22  VAL   1          1HG2      VAL   1  13.149   1.292  -6.975
    9   HG23  VAL   1          2HG2      VAL   1  13.073   3.040  -7.191
   10    HA   PRO   2           HA       PRO   2  18.388   5.235  -4.563
   11    HB2  PRO   2           HB2      PRO   2  18.380   7.363  -2.940
   12    HB3  PRO   2           HB1      PRO   2  17.917   7.501  -4.641
   13    HG2  PRO   2           HG2      PRO   2  16.180   7.348  -2.210
   14    HG3  PRO   2           HG1      PRO   2  16.012   8.378  -3.643
   15    HD2  PRO   2           HD2      PRO   2  14.613   6.041  -3.235
   16    HD3  PRO   2           HD1      PRO   2  14.937   6.748  -4.829
   17    H    CYS   3           HN       CYS   3  18.991   3.412  -3.418
   18    HA   CYS   3           HA       CYS   3  19.213   3.772  -0.535
   19    HB2  CYS   3           HB2      CYS   3  18.625   1.097  -0.636
   20    HB3  CYS   3           HB1      CYS   3  17.497   2.361  -0.159
   21    H    ASP   4           HN       ASP   4  21.368   4.212  -1.672
   22    HA   ASP   4           HA       ASP   4  23.536   3.636  -2.030
   23    HB2  ASP   4           HB2      ASP   4  22.668   2.131   0.147
   24    HB3  ASP   4           HB1      ASP   4  23.475   0.960  -0.893
   25    H    ASN   5           HN       ASN   5  24.873   1.362  -2.636
   26    HA   ASN   5           HA       ASN   5  23.475   0.349  -5.025
   27    HB2  ASN   5           HB2      ASN   5  26.359   0.194  -5.231
   28    HB3  ASN   5           HB1      ASN   5  25.201   0.951  -6.321
   29   HD21  ASN   5          1HD2      ASN   5  24.351   3.090  -5.557
   30   HD22  ASN   5          2HD2      ASN   5  25.487   4.169  -4.829
   31    H    VAL   6           HN       VAL   6  24.237  -0.579  -2.085
   32    HA   VAL   6           HA       VAL   6  25.635  -3.048  -2.619
   33    HB   VAL   6           HB       VAL   6  24.226  -2.225  -0.078
   34   HG11  VAL   6          1HG1      VAL   6  24.668  -4.516   0.062
   35   HG12  VAL   6          2HG1      VAL   6  26.036  -3.765   0.883
   36   HG13  VAL   6          3HG1      VAL   6  26.217  -4.361  -0.767
   37   HG21  VAL   6          3HG2      VAL   6  26.580  -1.600   0.645
   38   HG22  VAL   6          1HG2      VAL   6  25.787  -0.506  -0.488
   39   HG23  VAL   6          2HG2      VAL   6  27.006  -1.641  -1.066
   40    H    SER   7           HN       SER   7  22.369  -2.192  -1.468
   41    HA   SER   7           HA       SER   7  21.359  -4.631  -2.741
   42    HG   SER   7           HG       SER   7  19.980  -6.174  -0.022
   43    HB2  SER   7           HB2      SER   7  21.766  -4.693  -0.100
   44    HB3  SER   7           HB1      SER   7  20.184  -3.912  -0.100
   45    H    SER   8           HN       SER   8  20.034  -3.855  -4.248
   46    HA   SER   8           HA       SER   8  18.416  -1.487  -3.689
   47    HG   SER   8           HG       SER   8  20.695  -2.168  -5.591
   48    HB2  SER   8           HB2      SER   8  17.980  -2.567  -6.319
   49    HB3  SER   8           HB1      SER   8  18.709  -1.027  -5.862
   50    H    CYS   9           HN       CYS   9  16.200  -1.761  -5.126
   51    HA   CYS   9           HA       CYS   9  14.904  -4.209  -4.125
   52    HB2  CYS   9           HB2      CYS   9  14.194  -1.375  -3.708
   53    HB3  CYS   9           HB1      CYS   9  12.852  -2.429  -4.141
   54    HA   PRO  10           HA       PRO  10  13.918  -4.133  -8.553
   55    HB2  PRO  10           HB2      PRO  10  13.867  -6.982  -8.541
   56    HB3  PRO  10           HB1      PRO  10  15.138  -5.933  -9.168
   57    HG2  PRO  10           HG2      PRO  10  15.385  -7.615  -6.973
   58    HG3  PRO  10           HG1      PRO  10  16.440  -6.238  -7.332
   59    HD2  PRO  10           HD2      PRO  10  14.148  -6.428  -5.424
   60    HD3  PRO  10           HD1      PRO  10  15.684  -5.546  -5.264
   61    H    SER  11           HN       SER  11  12.139  -5.085  -9.816
   62    HA   SER  11           HA       SER  11   9.922  -5.464 -10.150
   63    HG   SER  11           HG       SER  11  10.792  -7.670 -10.309
   64    HB2  SER  11           HB2      SER  11  10.631  -7.308  -7.919
   65    HB3  SER  11           HB1      SER  11   8.920  -7.082  -8.279
   66    H    SER  12           HN       SER  12   7.751  -5.754  -8.490
   67    HA   SER  12           HA       SER  12   7.370  -3.062  -7.601
   68    HG   SER  12           HG       SER  12   4.035  -3.518  -7.761
   69    HB2  SER  12           HB2      SER  12   5.646  -4.762  -8.616
   70    HB3  SER  12           HB1      SER  12   5.452  -5.269  -6.938
   71    H    ASP  13           HN       ASP  13   9.002  -2.914  -5.964
   72    HA   ASP  13           HA       ASP  13   8.038  -3.873  -3.376
   73    HB2  ASP  13           HB2      ASP  13  10.669  -4.515  -4.620
   74    HB3  ASP  13           HB1      ASP  13  10.636  -4.190  -2.889
   75    H    THR  14           HN       THR  14   9.555  -2.855  -1.597
   76    HA   THR  14           HA       THR  14  10.153  -0.073  -2.350
   77    HB   THR  14           HB       THR  14   8.166   0.295  -1.229
   78    HG1  THR  14           HG1      THR  14   8.803   0.893   0.991
   79   HG21  THR  14          3HG2      THR  14   8.537  -2.311  -0.260
   80   HG22  THR  14          1HG2      THR  14   7.117  -1.285  -0.058
   81   HG23  THR  14          2HG2      THR  14   8.386  -1.285   1.167
   82    H    CYS  15           HN       CYS  15  11.902   0.869  -1.354
   83    HA   CYS  15           HA       CYS  15  13.770  -0.956  -0.105
   84    HB2  CYS  15           HB2      CYS  15  13.939   1.476  -1.623
   85    HB3  CYS  15           HB1      CYS  15  14.819   1.672  -0.111
   86    H    CYS  16           HN       CYS  16  13.993  -1.203   2.008
   87    HA   CYS  16           HA       CYS  16  12.962   0.900   3.791
   88    HG   CYS  16           HG       CYS  16  14.614  -2.605   5.383
   89    HB2  CYS  16           HB2      CYS  16  12.579  -0.822   5.450
   90    HB3  CYS  16           HB1      CYS  16  11.814  -1.302   3.939
   91    H    GLN  17           HN       GLN  17  14.163   1.479   5.635
   92    HA   GLN  17           HA       GLN  17  17.035   1.099   5.307
   93    HB2  GLN  17           HB2      GLN  17  15.796   3.360   5.728
   94    HB3  GLN  17           HB1      GLN  17  15.797   2.843   7.409
   95    HG2  GLN  17           HG2      GLN  17  18.339   2.481   7.021
   96    HG3  GLN  17           HG1      GLN  17  18.096   3.561   5.648
   97   HE21  GLN  17          1HE2      GLN  17  18.394   5.625   6.045
   98   HE22  GLN  17          2HE2      GLN  17  18.245   6.404   7.580
   99    H    LEU  18           HN       LEU  18  18.382   0.735   7.236
  100    HA   LEU  18           HA       LEU  18  17.036  -0.979   9.217
  101    HG   LEU  18           HG       LEU  18  17.071  -2.891   7.860
  102    HB2  LEU  18           HB2      LEU  18  19.314  -1.533   7.452
  103    HB3  LEU  18           HB1      LEU  18  19.594  -1.947   9.133
  104   HD11  LEU  18          1HD1      LEU  18  19.040  -3.320   6.291
  105   HD12  LEU  18          2HD1      LEU  18  18.060  -4.706   6.769
  106   HD13  LEU  18          3HD1      LEU  18  19.625  -4.428   7.532
  107   HD21  LEU  18          3HD2      LEU  18  18.487  -3.306  10.278
  108   HD22  LEU  18          1HD2      LEU  18  18.478  -4.830   9.390
  109   HD23  LEU  18          2HD2      LEU  18  16.957  -4.019   9.765
  110    H    THR  19           HN       THR  19  19.192  -1.494  10.855
  111    HA   THR  19           HA       THR  19  19.865   1.196  11.852
  112    HB   THR  19           HB       THR  19  18.326   0.045  13.356
  113    HG1  THR  19           HG1      THR  19  19.429   0.807  14.996
  114   HG21  THR  19          3HG2      THR  19  18.727  -2.254  12.886
  115   HG22  THR  19          1HG2      THR  19  19.164  -1.997  14.575
  116   HG23  THR  19          2HG2      THR  19  20.424  -2.119  13.347
  117    H    SER  20           HN       SER  20  21.408  -0.404   9.960
  118    HA   SER  20           HA       SER  20  23.900  -0.540  11.500
  119    HG   SER  20           HG       SER  20  22.966  -3.970  11.314
  120    HB2  SER  20           HB2      SER  20  22.937  -2.643   9.547
  121    HB3  SER  20           HB1      SER  20  24.568  -2.572  10.214
  122    H    GLY  21           HN       GLY  21  22.515   1.258   9.436
  123    HA2  GLY  21           HA2      GLY  21  23.321   2.720   7.847
  124    HA3  GLY  21           HA1      GLY  21  24.901   1.975   8.036
  125    H    GLU  22           HN       GLU  22  22.383  -0.213   7.355
  126    HA   GLU  22           HA       GLU  22  23.156  -0.259   4.511
  127    HB2  GLU  22           HB2      GLU  22  24.056  -2.169   5.855
  128    HB3  GLU  22           HB1      GLU  22  22.400  -2.648   6.200
  129    HG2  GLU  22           HG2      GLU  22  22.058  -3.478   4.126
  130    HG3  GLU  22           HG1      GLU  22  23.112  -2.293   3.356
  131    H    TRP  23           HN       TRP  23  21.553  -0.755   2.996
  132    HA   TRP  23           HA       TRP  23  18.806  -0.450   4.005
  133    HD1  TRP  23           HD1      TRP  23  21.507   1.832   3.281
  134    HE1  TRP  23           HE1      TRP  23  20.981   4.248   3.992
  135    HE3  TRP  23           HE3      TRP  23  16.591   2.040   1.887
  136    HZ2  TRP  23           HZ2      TRP  23  18.777   6.009   3.967
  137    HZ3  TRP  23           HZ3      TRP  23  15.346   4.129   2.266
  138    HH2  TRP  23           HH2      TRP  23  16.418   6.071   3.285
  139    HB2  TRP  23           HB2      TRP  23  20.017   0.280   1.334
  140    HB3  TRP  23           HB1      TRP  23  18.291   0.342   1.672
  141    H    GLY  24           HN       GLY  24  17.211  -1.853   3.382
  142    HA2  GLY  24           HA2      GLY  24  18.023  -4.098   1.645
  143    HA3  GLY  24           HA1      GLY  24  17.202  -4.381   3.172
  144    H    CYS  25           HN       CYS  25  15.841  -5.546   1.421
  145    HA   CYS  25           HA       CYS  25  13.909  -3.692   0.221
  146    HB2  CYS  25           HB2      CYS  25  15.155  -5.894  -0.854
  147    HB3  CYS  25           HB1      CYS  25  13.590  -6.545  -0.380
  148    H    CYS  26           HN       CYS  26  11.729  -3.804   0.650
  149    HA   CYS  26           HA       CYS  26  11.032  -5.102   3.163
  150    HG   CYS  26           HG       CYS  26   8.418  -3.890   4.502
  151    HB2  CYS  26           HB2      CYS  26  10.367  -2.653   2.015
  152    HB3  CYS  26           HB1      CYS  26   8.891  -3.604   1.887
  153    HA   PRO  27           HA       PRO  27   8.941  -8.334   0.900
  154    HB2  PRO  27           HB2      PRO  27   8.191  -9.827   2.987
  155    HB3  PRO  27           HB1      PRO  27   9.893  -9.687   2.525
  156    HG2  PRO  27           HG2      PRO  27   8.403  -8.293   4.715
  157    HG3  PRO  27           HG1      PRO  27  10.025  -9.009   4.744
  158    HD2  PRO  27           HD2      PRO  27   9.519  -6.323   4.406
  159    HD3  PRO  27           HD1      PRO  27  10.991  -7.141   3.848
  160    H    ILE  28           HN       ILE  28   7.532  -5.819   2.399
  161    HA   ILE  28           HA       ILE  28   4.829  -6.874   1.908
  162    HB   ILE  28           HB       ILE  28   4.925  -4.794   3.964
  163   HG12  ILE  28          2HG1      ILE  28   5.701  -7.474   5.002
  164   HG13  ILE  28          1HG1      ILE  28   6.974  -6.489   4.289
  165   HG21  ILE  28          1HG2      ILE  28   2.852  -5.746   3.706
  166   HG22  ILE  28          2HG2      ILE  28   3.480  -6.674   5.069
  167   HG23  ILE  28          3HG2      ILE  28   3.507  -7.364   3.446
  168   HD11  ILE  28          3HD1      ILE  28   6.108  -4.638   5.852
  169   HD12  ILE  28          1HD1      ILE  28   7.068  -5.951   6.534
  170   HD13  ILE  28          2HD1      ILE  28   5.314  -5.956   6.713
  171    HA   PRO  29           HA       PRO  29   5.442  -2.749  -0.161
  172    HB2  PRO  29           HB2      PRO  29   5.836  -3.461  -2.695
  173    HB3  PRO  29           HB1      PRO  29   7.154  -3.537  -1.520
  174    HG2  PRO  29           HG2      PRO  29   5.495  -5.739  -2.652
  175    HG3  PRO  29           HG1      PRO  29   7.213  -5.734  -2.223
  176    HD2  PRO  29           HD2      PRO  29   5.113  -6.742  -0.654
  177    HD3  PRO  29           HD1      PRO  29   6.768  -6.416  -0.105
  178    H    GLU  30           HN       GLU  30   3.020  -3.720   0.646
  179    HA   GLU  30           HA       GLU  30   1.333  -3.047  -1.633
  180    HB2  GLU  30           HB2      GLU  30  -0.187  -4.925  -1.241
  181    HB3  GLU  30           HB1      GLU  30   1.421  -5.492  -1.662
  182    HG2  GLU  30           HG2      GLU  30   1.761  -5.623   0.910
  183    HG3  GLU  30           HG1      GLU  30  -0.002  -5.615   0.955
  184    H    ALA  31           HN       ALA  31  -1.136  -3.488  -0.492
  185    HA   ALA  31           HA       ALA  31  -2.682  -2.612   0.923
  186    HB1  ALA  31           HB1      ALA  31  -1.041  -3.715   2.618
  187    HB2  ALA  31           HB2      ALA  31  -2.277  -2.596   3.192
  188    HB3  ALA  31           HB3      ALA  31  -0.613  -2.047   3.000
  189    H    VAL  32           HN       VAL  32  -3.565  -0.615   1.439
  190    HA   VAL  32           HA       VAL  32  -2.064   1.663   0.410
  191    HB   VAL  32           HB       VAL  32  -4.151   2.850   0.335
  192   HG11  VAL  32          1HG1      VAL  32  -5.066   0.170  -0.555
  193   HG12  VAL  32          2HG1      VAL  32  -3.582   0.812  -1.260
  194   HG13  VAL  32          3HG1      VAL  32  -5.090   1.715  -1.404
  195   HG21  VAL  32          3HG2      VAL  32  -6.049   0.896   1.137
  196   HG22  VAL  32          1HG2      VAL  32  -5.758   2.494   1.825
  197   HG23  VAL  32          2HG2      VAL  32  -4.882   1.095   2.444
  198    H    CYS  33           HN       CYS  33  -2.994   3.804   1.651
  199    HA   CYS  33           HA       CYS  33  -3.000   3.547   4.515
  200    HG   CYS  33           HG       CYS  33   0.909   3.758   2.461
  201    HB2  CYS  33           HB2      CYS  33  -0.942   5.131   4.655
  202    HB3  CYS  33           HB1      CYS  33  -0.675   3.404   4.440
  203    H    CYS  34           HN       CYS  34  -4.317   4.821   2.033
  204    HA   CYS  34           HA       CYS  34  -4.346   7.614   2.923
  205    HB2  CYS  34           HB2      CYS  34  -5.963   7.198   0.603
  206    HB3  CYS  34           HB1      CYS  34  -4.469   8.117   0.751
  207    H    SER  35           HN       SER  35  -6.036   8.460   3.952
  208    HA   SER  35           HA       SER  35  -8.698   7.403   3.647
  209    HG   SER  35           HG       SER  35  -6.959   8.253   6.496
  210    HB2  SER  35           HB2      SER  35  -9.029   6.906   6.040
  211    HB3  SER  35           HB1      SER  35  -7.797   5.862   5.331
  212    H    ASP  36           HN       ASP  36  -6.447   9.661   5.041
  213    HA   ASP  36           HA       ASP  36  -6.630  11.815   5.744
  214    HB2  ASP  36           HB2      ASP  36  -7.522  11.952   3.368
  215    HB3  ASP  36           HB1      ASP  36  -9.138  11.937   4.067
  216    H    HIS  37           HN       HIS  37  -7.482  10.185   7.655
  217    HA   HIS  37           HA       HIS  37  -8.749  10.004   9.533
  218    HD1  HIS  37           HD1      HIS  37 -11.062  11.344  11.378
  219    HD2  HIS  37           HD2      HIS  37  -7.138  12.657  11.753
  220    HE1  HIS  37           HE1      HIS  37 -10.594  11.367  13.849
  221    HE2  HIS  37           HE2      HIS  37  -8.243  12.251  14.055
  222    HB2  HIS  37           HB2      HIS  37  -8.173  12.629   9.258
  223    HB3  HIS  37           HB1      HIS  37  -9.932  12.704   9.238
  224    H    GLN  38           HN       GLN  38  -9.933   9.233   7.003
  225    HA   GLN  38           HA       GLN  38 -11.913   8.558   6.118
  226    HB2  GLN  38           HB2      GLN  38 -12.058   8.177   8.917
  227    HB3  GLN  38           HB1      GLN  38 -13.626   8.788   8.409
  228    HG2  GLN  38           HG2      GLN  38 -14.100   6.665   7.947
  229    HG3  GLN  38           HG1      GLN  38 -13.113   6.903   6.506
  230   HE21  GLN  38          1HE2      GLN  38 -12.949   5.894   9.886
  231   HE22  GLN  38          2HE2      GLN  38 -11.658   4.767   9.674
  232    H    HIS  39           HN       HIS  39 -12.204  10.385   4.806
  233    HA   HIS  39           HA       HIS  39 -14.477  12.039   5.604
  234    HD1  HIS  39           HD1      HIS  39 -15.175  13.385   6.578
  235    HD2  HIS  39           HD2      HIS  39 -11.599  15.498   6.682
  236    HE1  HIS  39           HE1      HIS  39 -15.447  15.076   8.418
  237    HE2  HIS  39           HE2      HIS  39 -13.305  16.403   8.402
  238    HB2  HIS  39           HB2      HIS  39 -11.750  13.000   5.278
  239    HB3  HIS  39           HB1      HIS  39 -12.868  13.819   4.193
  240    H    CYS  40           HN       CYS  40 -12.366  10.787   3.104
  241    HA   CYS  40           HA       CYS  40 -14.538  11.197   1.159
  242    HG   CYS  40           HG       CYS  40 -12.754  13.745   1.937
  243    HB2  CYS  40           HB2      CYS  40 -11.564  11.423   0.654
  244    HB3  CYS  40           HB1      CYS  40 -12.801  11.459  -0.599
  245    H    CYS  41           HN       CYS  41 -11.411   9.493   1.062
  246    HA   CYS  41           HA       CYS  41 -12.898   7.026   0.444
  247    HB2  CYS  41           HB2      CYS  41 -10.387   6.597  -0.578
  248    HB3  CYS  41           HB1      CYS  41 -11.790   7.109  -1.510
  249    HA   PRO  42           HA       PRO  42 -10.927   5.733   4.282
  250    HB2  PRO  42           HB2      PRO  42 -12.093   3.273   4.358
  251    HB3  PRO  42           HB1      PRO  42 -12.916   4.751   4.870
  252    HG2  PRO  42           HG2      PRO  42 -13.110   3.276   2.272
  253    HG3  PRO  42           HG1      PRO  42 -14.403   3.998   3.249
  254    HD2  PRO  42           HD2      PRO  42 -13.404   5.216   1.058
  255    HD3  PRO  42           HD1      PRO  42 -13.973   6.129   2.471
  256    H    GLN  43           HN       GLN  43 -10.381   3.003   4.658
  257    HA   GLN  43           HA       GLN  43  -8.011   2.741   3.012
  258    HB2  GLN  43           HB2      GLN  43  -9.025   1.046   5.301
  259    HB3  GLN  43           HB1      GLN  43  -7.461   0.861   4.520
  260    HG2  GLN  43           HG2      GLN  43  -7.225   3.404   5.175
  261    HG3  GLN  43           HG1      GLN  43  -8.414   2.952   6.396
  262   HE21  GLN  43          1HE2      GLN  43  -7.794   0.666   7.365
  263   HE22  GLN  43          2HE2      GLN  43  -6.170   0.578   7.949
  264    H    GLY  44           HN       GLY  44 -10.846   2.236   2.018
  265    HA2  GLY  44           HA2      GLY  44 -10.700  -0.595   1.306
  266    HA3  GLY  44           HA1      GLY  44 -12.050   0.486   0.995
  267    H    TYR  45           HN       TYR  45  -9.862   2.443  -0.007
  268    HA   TYR  45           HA       TYR  45  -9.362   1.169  -2.607
  269    HD1  TYR  45           HD1      TYR  45 -11.896   1.022  -3.770
  270    HD2  TYR  45           HD2      TYR  45 -12.131   4.401  -1.196
  271    HE1  TYR  45           HE1      TYR  45 -14.271   0.535  -3.359
  272    HE2  TYR  45           HE2      TYR  45 -14.506   3.923  -0.777
  273    HH   TYR  45           HH       TYR  45 -15.948   1.400  -1.016
  274    HB2  TYR  45           HB2      TYR  45 -10.191   4.053  -2.439
  275    HB3  TYR  45           HB1      TYR  45 -10.214   2.977  -3.832
  276    H    THR  46           HN       THR  46  -7.856   2.651  -3.958
  277    HA   THR  46           HA       THR  46  -5.637   3.436  -2.201
  278    HB   THR  46           HB       THR  46  -5.391   3.085  -5.173
  279    HG1  THR  46           HG1      THR  46  -4.682   0.845  -4.425
  280   HG21  THR  46          3HG2      THR  46  -3.430   3.972  -4.250
  281   HG22  THR  46          1HG2      THR  46  -3.103   2.242  -4.355
  282   HG23  THR  46          2HG2      THR  46  -3.544   2.964  -2.807
  283    H    CYS  47           HN       CYS  47  -4.476   5.371  -2.579
  284    HA   CYS  47           HA       CYS  47  -6.135   7.515  -3.625
  285    HB2  CYS  47           HB2      CYS  47  -4.063   8.881  -2.761
  286    HB3  CYS  47           HB1      CYS  47  -5.220   8.206  -1.620
  287    H    VAL  48           HN       VAL  48  -6.062   7.641  -5.795
  288    HA   VAL  48           HA       VAL  48  -3.439   7.541  -7.119
  289    HB   VAL  48           HB       VAL  48  -6.163   7.405  -8.417
  290   HG11  VAL  48          1HG1      VAL  48  -4.487   6.202 -10.133
  291   HG12  VAL  48          2HG1      VAL  48  -3.377   7.358  -9.398
  292   HG13  VAL  48          3HG1      VAL  48  -4.850   7.927 -10.184
  293   HG21  VAL  48          3HG2      VAL  48  -5.787   4.998  -8.617
  294   HG22  VAL  48          1HG2      VAL  48  -5.839   5.497  -6.926
  295   HG23  VAL  48          2HG2      VAL  48  -4.290   5.151  -7.696
  296    H    ALA  49           HN       ALA  49  -2.714   9.208  -8.388
  297    HA   ALA  49           HA       ALA  49  -3.817  11.807  -7.834
  298    HB1  ALA  49           HB1      ALA  49  -1.477  10.961  -9.537
  299    HB2  ALA  49           HB2      ALA  49  -1.421  11.546  -7.874
  300    HB3  ALA  49           HB3      ALA  49  -1.909  12.632  -9.175
  301    H    GLU  50           HN       GLU  50  -4.538  13.325  -9.384
  302    HA   GLU  50           HA       GLU  50  -5.860  13.996 -11.108
  303    HB2  GLU  50           HB2      GLU  50  -3.674  12.470 -12.270
  304    HB3  GLU  50           HB1      GLU  50  -5.113  12.420 -13.278
  305    HG2  GLU  50           HG2      GLU  50  -4.779  14.490 -13.986
  306    HG3  GLU  50           HG1      GLU  50  -4.622  15.094 -12.337
  307    H    GLY  51           HN       GLY  51  -7.598  12.878  -9.863
  308    HA2  GLY  51           HA2      GLY  51  -9.532  11.765 -11.327
  309    HA3  GLY  51           HA1      GLY  51  -8.534  10.361 -10.982
  310    H    GLN  52           HN       GLN  52  -9.036   9.238  -9.225
  311    HA   GLN  52           HA       GLN  52  -9.922  10.524  -6.807
  312    HB2  GLN  52           HB2      GLN  52 -11.914   9.929  -8.579
  313    HB3  GLN  52           HB1      GLN  52 -11.859   8.461  -7.612
  314    HG2  GLN  52           HG2      GLN  52 -13.327   9.620  -6.355
  315    HG3  GLN  52           HG1      GLN  52 -11.843  10.245  -5.638
  316   HE21  GLN  52          1HE2      GLN  52 -14.136  10.900  -8.257
  317   HE22  GLN  52          2HE2      GLN  52 -14.058  12.621  -8.131
  318    H    CYS  53           HN       CYS  53 -10.833   8.519  -5.324
  319    HA   CYS  53           HA       CYS  53  -8.527   6.775  -5.122
  320    HB2  CYS  53           HB2      CYS  53 -10.952   7.143  -3.356
  321    HB3  CYS  53           HB1      CYS  53  -9.639   6.026  -3.001
  322    H    GLN  54           HN       GLN  54  -8.456   4.647  -5.533
  323    HA   GLN  54           HA       GLN  54 -10.809   3.027  -5.776
  324    HB2  GLN  54           HB2      GLN  54  -9.812   4.336  -8.113
  325    HB3  GLN  54           HB1      GLN  54  -9.505   2.612  -8.268
  326    HG2  GLN  54           HG2      GLN  54 -11.722   2.076  -8.321
  327    HG3  GLN  54           HG1      GLN  54 -12.199   3.489  -7.380
  328   HE21  GLN  54          1HE2      GLN  54 -10.502   2.891 -10.445
  329   HE22  GLN  54          2HE2      GLN  54 -11.432   4.012 -11.374
  330    H    LYS  55           HN       LYS  55 -10.343   0.825  -5.733
  331    HA   LYS  55           HA       LYS  55  -7.552   0.204  -5.091
  332    HB2  LYS  55           HB2      LYS  55 -10.021  -0.543  -3.933
  333    HB3  LYS  55           HB1      LYS  55  -9.329  -2.002  -4.630
  334    HG2  LYS  55           HG2      LYS  55  -7.222  -0.713  -3.312
  335    HG3  LYS  55           HG1      LYS  55  -8.610  -0.615  -2.227
  336    HD2  LYS  55           HD2      LYS  55  -8.860  -2.955  -2.167
  337    HD3  LYS  55           HD1      LYS  55  -7.813  -3.183  -3.570
  338    HE2  LYS  55           HE2      LYS  55  -6.876  -2.079  -0.927
  339    HE3  LYS  55           HE1      LYS  55  -6.769  -3.781  -1.376
  340    HZ1  LYS  55           HZ1      LYS  55  -5.601  -2.669  -3.476
  341    HZ2  LYS  55           HZ2      LYS  55  -4.747  -3.128  -2.089
  342    HZ3  LYS  55           HZ3      LYS  55  -5.202  -1.513  -2.305
  343    H    LEU  56           HN       LEU  56  -6.833  -2.053  -5.710
  344    HA   LEU  56           HA       LEU  56  -7.811  -2.760  -8.395
  345    HG   LEU  56           HG       LEU  56  -5.008  -2.106  -6.269
  346    HB2  LEU  56           HB2      LEU  56  -5.260  -3.447  -8.664
  347    HB3  LEU  56           HB1      LEU  56  -5.844  -1.842  -9.060
  348   HD11  LEU  56          1HD1      LEU  56  -3.441  -3.623  -7.720
  349   HD12  LEU  56          2HD1      LEU  56  -2.767  -2.523  -6.517
  350   HD13  LEU  56          3HD1      LEU  56  -2.760  -2.076  -8.223
  351   HD21  LEU  56          3HD2      LEU  56  -4.592   0.071  -6.537
  352   HD22  LEU  56          1HD2      LEU  56  -5.412  -0.094  -8.090
  353   HD23  LEU  56          2HD2      LEU  56  -3.653  -0.198  -8.005
  354    H    ALA  57           HN       ALA  57  -6.737  -3.764  -5.286
  355    HA   ALA  57           HA       ALA  57  -6.776  -6.586  -6.109
  356    HB1  ALA  57           HB1      ALA  57  -5.347  -7.091  -4.387
  357    HB2  ALA  57           HB2      ALA  57  -5.888  -5.737  -3.395
  358    HB3  ALA  57           HB3      ALA  57  -4.825  -5.451  -4.772
  359    H    ALA  58           HN       ALA  58  -7.346  -7.830  -3.765
  360    HA   ALA  58           HA       ALA  58  -9.095  -8.611  -2.541
  361    HB1  ALA  58           HB1      ALA  58  -8.588  -6.398  -1.402
  362    HB2  ALA  58           HB2      ALA  58 -10.185  -7.088  -1.116
  363    HB3  ALA  58           HB3      ALA  58  -9.992  -5.756  -2.256
  364    H    ALA  59           HN       ALA  59 -10.075  -9.651  -4.325
  365    HA   ALA  59           HA       ALA  59 -12.532  -8.320  -5.261
  366    HB1  ALA  59           HB1      ALA  59 -12.211  -8.980  -7.422
  367    HB2  ALA  59           HB2      ALA  59 -11.254 -10.389  -6.968
  368    HB3  ALA  59           HB3      ALA  59 -10.531  -8.781  -6.925
  369    H    LEU  60           HN       LEU  60 -14.364  -9.629  -5.549
  370    HA   LEU  60           HA       LEU  60 -15.847 -11.242  -4.946
  371    HG   LEU  60           HG       LEU  60 -16.380 -12.613  -6.449
  372    HB2  LEU  60           HB2      LEU  60 -13.501 -12.615  -5.971
  373    HB3  LEU  60           HB1      LEU  60 -14.378 -13.599  -4.814
  374   HD11  LEU  60          1HD1      LEU  60 -14.143 -13.523  -8.239
  375   HD12  LEU  60          2HD1      LEU  60 -14.510 -11.821  -7.956
  376   HD13  LEU  60          3HD1      LEU  60 -15.717 -12.872  -8.698
  377   HD21  LEU  60          3HD2      LEU  60 -15.285 -15.078  -5.651
  378   HD22  LEU  60          1HD2      LEU  60 -15.460 -15.146  -7.405
  379   HD23  LEU  60          2HD2      LEU  60 -16.856 -14.778  -6.393
  380    H    GLU  61           HN       GLU  61 -14.497  -9.846  -2.841
  381    HA   GLU  61           HA       GLU  61 -14.050 -11.850  -0.772
  382    HB2  GLU  61           HB2      GLU  61 -13.360  -9.027  -1.161
  383    HB3  GLU  61           HB1      GLU  61 -13.884  -9.406   0.474
  384    HG2  GLU  61           HG2      GLU  61 -12.173 -11.438   0.040
  385    HG3  GLU  61           HG1      GLU  61 -11.442 -10.187  -0.965
  386    H    HIS  62           HN       HIS  62 -16.712 -11.392  -1.966
  387    HA   HIS  62           HA       HIS  62 -18.890 -11.263  -1.334
  388    HD1  HIS  62           HD1      HIS  62 -16.584 -13.846   1.579
  389    HD2  HIS  62           HD2      HIS  62 -19.622 -13.900  -1.256
  390    HE1  HIS  62           HE1      HIS  62 -16.595 -16.183   0.650
  391    HE2  HIS  62           HE2      HIS  62 -18.373 -16.161  -1.136
  392    HB2  HIS  62           HB2      HIS  62 -17.718 -11.671   1.425
  393    HB3  HIS  62           HB1      HIS  62 -19.421 -11.840   1.010
  394    H    HIS  63           HN       HIS  63 -19.155  -9.103  -1.961
  395    HA   HIS  63           HA       HIS  63 -18.739  -7.001  -0.001
  396    HD1  HIS  63           HD1      HIS  63 -18.969  -4.393  -0.202
  397    HD2  HIS  63           HD2      HIS  63 -16.706  -5.702  -3.432
  398    HE1  HIS  63           HE1      HIS  63 -17.032  -2.797  -0.357
  399    HE2  HIS  63           HE2      HIS  63 -15.738  -3.544  -2.386
  400    HB2  HIS  63           HB2      HIS  63 -18.904  -7.141  -2.847
  401    HB3  HIS  63           HB1      HIS  63 -20.160  -6.047  -2.279
  402    H    HIS  64           HN       HIS  64 -20.958  -9.267  -0.179
  403    HA   HIS  64           HA       HIS  64 -23.296  -7.545   0.205
  404    HD1  HIS  64           HD1      HIS  64 -25.750 -11.295   0.316
  405    HD2  HIS  64           HD2      HIS  64 -25.413  -7.367  -0.997
  406    HE1  HIS  64           HE1      HIS  64 -28.111 -10.467   0.061
  407    HE2  HIS  64           HE2      HIS  64 -27.883  -8.101  -0.774
  408    HB2  HIS  64           HB2      HIS  64 -23.222  -9.696  -1.282
  409    HB3  HIS  64           HB1      HIS  64 -23.393 -10.543   0.251
  410    H    HIS  65           HN       HIS  65 -21.213  -7.596   2.177
  411    HA   HIS  65           HA       HIS  65 -22.596  -8.916   4.417
  412    HD1  HIS  65           HD1      HIS  65 -21.091 -10.636   2.473
  413    HD2  HIS  65           HD2      HIS  65 -19.664 -11.020   6.356
  414    HE1  HIS  65           HE1      HIS  65 -20.816 -13.107   2.847
  415    HE2  HIS  65           HE2      HIS  65 -19.859 -13.309   5.168
  416    HB2  HIS  65           HB2      HIS  65 -19.698  -8.416   3.856
  417    HB3  HIS  65           HB1      HIS  65 -20.244  -8.519   5.526
  418    H    HIS  66           HN       HIS  66 -20.691  -7.301   6.184
  419    HA   HIS  66           HA       HIS  66 -20.713  -5.378   7.389
  420    HD1  HIS  66           HD1      HIS  66 -18.429  -3.652   5.482
  421    HD2  HIS  66           HD2      HIS  66 -21.567  -1.878   7.550
  422    HE1  HIS  66           HE1      HIS  66 -17.403  -1.734   6.745
  423    HE2  HIS  66           HE2      HIS  66 -19.340  -0.609   7.898
  424    HB2  HIS  66           HB2      HIS  66 -20.699  -4.524   4.781
  425    HB3  HIS  66           HB1      HIS  66 -22.120  -3.708   5.425
  426    H    HIS  67           HN       HIS  67 -22.139  -3.909   8.552
  427    HA   HIS  67           HA       HIS  67 -24.989  -4.202   8.212
  428    HD1  HIS  67           HD1      HIS  67 -26.097  -4.970  12.210
  429    HD2  HIS  67           HD2      HIS  67 -26.707  -6.410   8.360
  430    HE1  HIS  67           HE1      HIS  67 -28.526  -5.615  12.110
  431    HE2  HIS  67           HE2      HIS  67 -28.863  -6.522   9.784
  432    HB2  HIS  67           HB2      HIS  67 -23.982  -6.210   9.607
  433    HB3  HIS  67           HB1      HIS  67 -23.998  -5.024  10.908
  Start of MODEL    2
    1    H    VAL   1           HT1      VAL   1  16.892  -6.334  -2.139
    2    HA   VAL   1           HA       VAL   1  19.500  -6.426  -2.923
    3    HB   VAL   1           HB       VAL   1  17.367  -4.375  -3.547
    4   HG11  VAL   1          1HG1      VAL   1  18.583  -3.865  -5.555
    5   HG12  VAL   1          2HG1      VAL   1  19.801  -5.084  -5.179
    6   HG13  VAL   1          3HG1      VAL   1  19.657  -3.642  -4.173
    7   HG21  VAL   1          3HG2      VAL   1  18.149  -6.832  -5.105
    8   HG22  VAL   1          1HG2      VAL   1  16.770  -5.768  -5.385
    9   HG23  VAL   1          2HG2      VAL   1  16.818  -6.791  -3.949
   10    HA   PRO   2           HA       PRO   2  21.721  -3.592  -0.294
   11    HB2  PRO   2           HB2      PRO   2  23.496  -3.395  -2.673
   12    HB3  PRO   2           HB1      PRO   2  23.898  -3.784  -0.997
   13    HG2  PRO   2           HG2      PRO   2  23.852  -5.690  -2.850
   14    HG3  PRO   2           HG1      PRO   2  23.238  -6.000  -1.215
   15    HD2  PRO   2           HD2      PRO   2  21.725  -5.475  -3.742
   16    HD3  PRO   2           HD1      PRO   2  21.361  -6.610  -2.425
   17    H    CYS   3           HN       CYS   3  21.279  -1.515   0.022
   18    HA   CYS   3           HA       CYS   3  20.949   0.236  -2.325
   19    HB2  CYS   3           HB2      CYS   3  19.431   0.280   0.290
   20    HB3  CYS   3           HB1      CYS   3  19.312   1.528  -0.945
   21    H    ASP   4           HN       ASP   4  23.427  -0.132  -1.118
   22    HA   ASP   4           HA       ASP   4  23.935   1.903   0.834
   23    HB2  ASP   4           HB2      ASP   4  26.097   0.706  -0.860
   24    HB3  ASP   4           HB1      ASP   4  26.134   1.153   0.843
   25    H    ASN   5           HN       ASN   5  24.002   1.699  -2.642
   26    HA   ASN   5           HA       ASN   5  24.374   4.571  -2.804
   27    HB2  ASN   5           HB2      ASN   5  26.268   4.556  -4.223
   28    HB3  ASN   5           HB1      ASN   5  26.675   3.470  -2.898
   29   HD21  ASN   5          1HD2      ASN   5  26.283   1.149  -3.296
   30   HD22  ASN   5          2HD2      ASN   5  26.582   0.536  -4.883
   31    H    VAL   6           HN       VAL   6  22.892   1.794  -3.758
   32    HA   VAL   6           HA       VAL   6  21.574   3.139  -5.963
   33    HB   VAL   6           HB       VAL   6  21.842   0.798  -7.227
   34   HG11  VAL   6          1HG1      VAL   6  23.081   1.935  -8.777
   35   HG12  VAL   6          2HG1      VAL   6  24.114   2.689  -7.562
   36   HG13  VAL   6          3HG1      VAL   6  22.473   3.283  -7.816
   37   HG21  VAL   6          3HG2      VAL   6  23.794   0.640  -5.178
   38   HG22  VAL   6          1HG2      VAL   6  24.640   0.832  -6.713
   39   HG23  VAL   6          2HG2      VAL   6  23.495  -0.491  -6.498
   40    H    SER   7           HN       SER   7  19.530   2.984  -5.305
   41    HA   SER   7           HA       SER   7  18.599   0.550  -3.988
   42    HG   SER   7           HG       SER   7  17.687   4.029  -2.816
   43    HB2  SER   7           HB2      SER   7  16.627   2.676  -4.415
   44    HB3  SER   7           HB1      SER   7  17.099   1.861  -2.924
   45    H    SER   8           HN       SER   8  18.069  -1.021  -5.385
   46    HA   SER   8           HA       SER   8  16.014  -0.444  -7.369
   47    HG   SER   8           HG       SER   8  18.962  -2.464  -7.453
   48    HB2  SER   8           HB2      SER   8  17.340  -1.867  -9.052
   49    HB3  SER   8           HB1      SER   8  17.880  -0.208  -8.790
   50    H    CYS   9           HN       CYS   9  14.685  -1.649  -5.941
   51    HA   CYS   9           HA       CYS   9  15.326  -4.466  -5.553
   52    HB2  CYS   9           HB2      CYS   9  14.067  -2.625  -3.949
   53    HB3  CYS   9           HB1      CYS   9  12.709  -3.523  -4.620
   54    HA   PRO  10           HA       PRO  10  12.686  -5.634  -8.930
   55    HB2  PRO  10           HB2      PRO  10  12.784  -8.378  -8.178
   56    HB3  PRO  10           HB1      PRO  10  13.795  -7.555  -9.365
   57    HG2  PRO  10           HG2      PRO  10  14.684  -8.614  -6.954
   58    HG3  PRO  10           HG1      PRO  10  15.544  -7.409  -7.926
   59    HD2  PRO  10           HD2      PRO  10  13.850  -7.031  -5.495
   60    HD3  PRO  10           HD1      PRO  10  15.329  -6.177  -5.987
   61    H    SER  11           HN       SER  11  10.793  -7.220  -9.306
   62    HA   SER  11           HA       SER  11   8.609  -7.718  -8.927
   63    HG   SER  11           HG       SER  11   8.777 -10.388  -6.886
   64    HB2  SER  11           HB2      SER  11  10.062  -8.595  -6.571
   65    HB3  SER  11           HB1      SER  11   8.400  -8.157  -6.177
   66    H    SER  12           HN       SER  12   9.445  -4.945  -8.743
   67    HA   SER  12           HA       SER  12   8.653  -2.893  -8.153
   68    HG   SER  12           HG       SER  12   6.229  -2.210  -9.415
   69    HB2  SER  12           HB2      SER  12   6.252  -4.657  -8.175
   70    HB3  SER  12           HB1      SER  12   6.071  -3.043  -7.487
   71    H    ASP  13           HN       ASP  13   9.986  -4.310  -6.101
   72    HA   ASP  13           HA       ASP  13   8.481  -3.915  -3.656
   73    HB2  ASP  13           HB2      ASP  13  10.759  -5.448  -4.444
   74    HB3  ASP  13           HB1      ASP  13  11.232  -4.402  -3.110
   75    H    THR  14           HN       THR  14  10.097  -2.937  -1.830
   76    HA   THR  14           HA       THR  14  11.147  -0.379  -2.826
   77    HB   THR  14           HB       THR  14   9.112   0.414  -2.045
   78    HG1  THR  14           HG1      THR  14  10.491   1.654  -0.906
   79   HG21  THR  14          3HG2      THR  14   8.159  -1.604  -1.178
   80   HG22  THR  14          1HG2      THR  14   8.067  -0.382   0.090
   81   HG23  THR  14          2HG2      THR  14   9.307  -1.634   0.161
   82    H    CYS  15           HN       CYS  15  12.784   0.556  -1.547
   83    HA   CYS  15           HA       CYS  15  14.083  -1.356   0.261
   84    HB2  CYS  15           HB2      CYS  15  15.208  -0.231  -1.836
   85    HB3  CYS  15           HB1      CYS  15  15.436   1.122  -0.733
   86    H    CYS  16           HN       CYS  16  14.473  -0.909   2.356
   87    HA   CYS  16           HA       CYS  16  13.946   1.804   3.341
   88    HG   CYS  16           HG       CYS  16  12.810  -0.566   6.717
   89    HB2  CYS  16           HB2      CYS  16  12.368   1.167   4.885
   90    HB3  CYS  16           HB1      CYS  16  12.010   0.012   3.607
   91    H    GLN  17           HN       GLN  17  14.927   2.283   5.390
   92    HA   GLN  17           HA       GLN  17  17.504   1.069   5.672
   93    HB2  GLN  17           HB2      GLN  17  16.586   3.548   6.173
   94    HB3  GLN  17           HB1      GLN  17  16.495   2.877   7.795
   95    HG2  GLN  17           HG2      GLN  17  18.743   2.739   8.020
   96    HG3  GLN  17           HG1      GLN  17  19.009   2.440   6.303
   97   HE21  GLN  17          1HE2      GLN  17  20.255   3.977   5.527
   98   HE22  GLN  17          2HE2      GLN  17  20.096   5.670   5.831
   99    H    LEU  18           HN       LEU  18  18.354   0.184   7.671
  100    HA   LEU  18           HA       LEU  18  16.320  -1.395   9.090
  101    HG   LEU  18           HG       LEU  18  17.305  -2.802   6.968
  102    HB2  LEU  18           HB2      LEU  18  19.196  -1.894   8.412
  103    HB3  LEU  18           HB1      LEU  18  18.450  -2.742   9.753
  104   HD11  LEU  18          1HD1      LEU  18  18.419  -5.246   7.300
  105   HD12  LEU  18          2HD1      LEU  18  19.619  -4.221   8.088
  106   HD13  LEU  18          3HD1      LEU  18  19.169  -3.922   6.409
  107   HD21  LEU  18          3HD2      LEU  18  16.051  -4.658   7.740
  108   HD22  LEU  18          1HD2      LEU  18  15.889  -3.401   8.966
  109   HD23  LEU  18          2HD2      LEU  18  16.984  -4.757   9.233
  110    H    THR  19           HN       THR  19  19.630  -0.822  10.139
  111    HA   THR  19           HA       THR  19  18.579   0.627  12.481
  112    HB   THR  19           HB       THR  19  20.976  -1.204  12.569
  113    HG1  THR  19           HG1      THR  19  19.271  -2.511  13.808
  114   HG21  THR  19          3HG2      THR  19  20.297  -1.160  15.046
  115   HG22  THR  19          1HG2      THR  19  19.315   0.240  14.614
  116   HG23  THR  19          2HG2      THR  19  21.062   0.283  14.380
  117    H    SER  20           HN       SER  20  21.784  -0.136  11.095
  118    HA   SER  20           HA       SER  20  22.316   2.651  10.585
  119    HG   SER  20           HG       SER  20  22.842   3.932  12.399
  120    HB2  SER  20           HB2      SER  20  22.921   1.746  13.127
  121    HB3  SER  20           HB1      SER  20  24.457   1.599  12.273
  122    H    GLY  21           HN       GLY  21  23.058   2.442   8.571
  123    HA2  GLY  21           HA2      GLY  21  24.697   2.033   6.977
  124    HA3  GLY  21           HA1      GLY  21  25.534   1.015   8.137
  125    H    GLU  22           HN       GLU  22  22.526  -0.134   8.287
  126    HA   GLU  22           HA       GLU  22  23.055  -2.133   6.193
  127    HB2  GLU  22           HB2      GLU  22  21.123  -2.568   8.443
  128    HB3  GLU  22           HB1      GLU  22  22.020  -3.756   7.507
  129    HG2  GLU  22           HG2      GLU  22  23.551  -1.855   9.196
  130    HG3  GLU  22           HG1      GLU  22  22.668  -3.158   9.988
  131    H    TRP  23           HN       TRP  23  21.677  -2.381   4.556
  132    HA   TRP  23           HA       TRP  23  19.117  -0.928   4.680
  133    HD1  TRP  23           HD1      TRP  23  22.341   0.885   3.362
  134    HE1  TRP  23           HE1      TRP  23  21.689   3.375   3.362
  135    HE3  TRP  23           HE3      TRP  23  17.362   0.422   2.296
  136    HZ2  TRP  23           HZ2      TRP  23  19.371   4.936   2.964
  137    HZ3  TRP  23           HZ3      TRP  23  15.998   2.462   2.123
  138    HH2  TRP  23           HH2      TRP  23  16.983   4.672   2.452
  139    HB2  TRP  23           HB2      TRP  23  21.117  -1.294   2.493
  140    HB3  TRP  23           HB1      TRP  23  19.417  -1.160   2.055
  141    H    GLY  24           HN       GLY  24  17.253  -1.977   4.160
  142    HA2  GLY  24           HA2      GLY  24  17.444  -4.706   3.092
  143    HA3  GLY  24           HA1      GLY  24  16.619  -4.461   4.623
  144    H    CYS  25           HN       CYS  25  15.768  -5.334   1.828
  145    HA   CYS  25           HA       CYS  25  13.872  -3.281   1.069
  146    HB2  CYS  25           HB2      CYS  25  14.892  -5.783  -0.096
  147    HB3  CYS  25           HB1      CYS  25  13.188  -5.475  -0.411
  148    H    CYS  26           HN       CYS  26  11.658  -3.386   1.272
  149    HA   CYS  26           HA       CYS  26  10.686  -5.058   3.424
  150    HG   CYS  26           HG       CYS  26   9.173  -4.138   5.146
  151    HB2  CYS  26           HB2      CYS  26   9.960  -2.533   2.252
  152    HB3  CYS  26           HB1      CYS  26   8.551  -3.587   2.311
  153    HA   PRO  27           HA       PRO  27   9.237  -8.274   0.689
  154    HB2  PRO  27           HB2      PRO  27   7.469  -8.900   2.990
  155    HB3  PRO  27           HB1      PRO  27   8.607  -9.941   2.127
  156    HG2  PRO  27           HG2      PRO  27   9.170  -9.027   4.568
  157    HG3  PRO  27           HG1      PRO  27  10.431  -9.169   3.328
  158    HD2  PRO  27           HD2      PRO  27   8.991  -6.734   4.298
  159    HD3  PRO  27           HD1      PRO  27  10.700  -6.933   3.852
  160    H    ILE  28           HN       ILE  28   7.131  -6.093   2.464
  161    HA   ILE  28           HA       ILE  28   5.173  -6.301   0.278
  162    HB   ILE  28           HB       ILE  28   3.985  -5.575   2.847
  163   HG12  ILE  28          2HG1      ILE  28   4.172  -8.445   2.874
  164   HG13  ILE  28          1HG1      ILE  28   5.791  -7.754   2.898
  165   HG21  ILE  28          1HG2      ILE  28   2.359  -7.361   2.062
  166   HG22  ILE  28          2HG2      ILE  28   3.347  -7.468   0.604
  167   HG23  ILE  28          3HG2      ILE  28   2.553  -5.950   1.021
  168   HD11  ILE  28          3HD1      ILE  28   5.532  -7.534   5.084
  169   HD12  ILE  28          1HD1      ILE  28   3.806  -7.885   4.986
  170   HD13  ILE  28          2HD1      ILE  28   4.386  -6.239   4.735
  171    HA   PRO  29           HA       PRO  29   6.225  -1.899   0.366
  172    HB2  PRO  29           HB2      PRO  29   4.513  -1.826  -2.027
  173    HB3  PRO  29           HB1      PRO  29   6.211  -1.375  -1.849
  174    HG2  PRO  29           HG2      PRO  29   5.473  -3.583  -3.186
  175    HG3  PRO  29           HG1      PRO  29   6.962  -3.525  -2.223
  176    HD2  PRO  29           HD2      PRO  29   4.306  -4.733  -1.537
  177    HD3  PRO  29           HD1      PRO  29   5.940  -5.372  -1.255
  178    H    GLU  30           HN       GLU  30   4.853  -1.670   2.265
  179    HA   GLU  30           HA       GLU  30   2.034  -1.121   1.800
  180    HB2  GLU  30           HB2      GLU  30   3.754  -1.406   4.240
  181    HB3  GLU  30           HB1      GLU  30   2.186  -0.622   4.361
  182    HG2  GLU  30           HG2      GLU  30   1.075  -2.551   4.211
  183    HG3  GLU  30           HG1      GLU  30   2.125  -3.170   2.937
  184    H    ALA  31           HN       ALA  31   1.153   0.854   3.045
  185    HA   ALA  31           HA       ALA  31   2.734   3.180   2.199
  186    HB1  ALA  31           HB1      ALA  31   0.035   3.809   2.989
  187    HB2  ALA  31           HB2      ALA  31   0.056   2.507   1.798
  188    HB3  ALA  31           HB3      ALA  31   0.833   4.047   1.435
  189    H    VAL  32           HN       VAL  32   3.330   4.755   3.588
  190    HA   VAL  32           HA       VAL  32   4.155   5.434   5.635
  191    HB   VAL  32           HB       VAL  32   2.315   6.403   7.047
  192   HG11  VAL  32          1HG1      VAL  32   3.445   7.539   5.101
  193   HG12  VAL  32          2HG1      VAL  32   1.850   8.158   5.529
  194   HG13  VAL  32          3HG1      VAL  32   2.039   7.096   4.133
  195   HG21  VAL  32          3HG2      VAL  32   0.635   4.635   6.360
  196   HG22  VAL  32          1HG2      VAL  32   0.473   5.515   4.840
  197   HG23  VAL  32          2HG2      VAL  32   0.054   6.300   6.363
  198    H    CYS  33           HN       CYS  33   4.917   3.209   6.140
  199    HA   CYS  33           HA       CYS  33   3.467   1.464   7.802
  200    HG   CYS  33           HG       CYS  33   7.067   1.942   5.605
  201    HB2  CYS  33           HB2      CYS  33   6.424   1.562   8.080
  202    HB3  CYS  33           HB1      CYS  33   5.359   0.180   7.846
  203    H    CYS  34           HN       CYS  34   6.411   3.108   8.904
  204    HA   CYS  34           HA       CYS  34   5.816   2.972  11.611
  205    HB2  CYS  34           HB2      CYS  34   7.924   3.698  11.693
  206    HB3  CYS  34           HB1      CYS  34   7.863   4.102   9.981
  207    H    SER  35           HN       SER  35   5.030   4.446  13.119
  208    HA   SER  35           HA       SER  35   3.823   6.920  12.193
  209    HG   SER  35           HG       SER  35   1.215   4.111  13.568
  210    HB2  SER  35           HB2      SER  35   1.618   6.346  13.208
  211    HB3  SER  35           HB1      SER  35   2.014   5.347  11.810
  212    H    ASP  36           HN       ASP  36   5.126   8.089  13.545
  213    HA   ASP  36           HA       ASP  36   5.590   7.396  16.268
  214    HB2  ASP  36           HB2      ASP  36   7.022   8.880  14.703
  215    HB3  ASP  36           HB1      ASP  36   5.918  10.173  15.161
  216    H    HIS  37           HN       HIS  37   4.042   7.419  17.750
  217    HA   HIS  37           HA       HIS  37   1.859   9.349  17.559
  218    HD1  HIS  37           HD1      HIS  37  -0.152   7.871  20.923
  219    HD2  HIS  37           HD2      HIS  37  -0.540   8.124  16.793
  220    HE1  HIS  37           HE1      HIS  37  -2.581   8.369  20.505
  221    HE2  HIS  37           HE2      HIS  37  -2.773   8.612  18.005
  222    HB2  HIS  37           HB2      HIS  37   1.769   6.735  18.142
  223    HB3  HIS  37           HB1      HIS  37   1.971   7.366  19.774
  224    H    GLN  38           HN       GLN  38   2.561  11.289  18.304
  225    HA   GLN  38           HA       GLN  38   3.484  11.361  21.096
  226    HB2  GLN  38           HB2      GLN  38   4.768  12.473  18.698
  227    HB3  GLN  38           HB1      GLN  38   4.613  13.613  20.027
  228    HG2  GLN  38           HG2      GLN  38   5.646  11.795  21.483
  229    HG3  GLN  38           HG1      GLN  38   6.076  10.998  19.970
  230   HE21  GLN  38          1HE2      GLN  38   6.219  14.248  21.401
  231   HE22  GLN  38          2HE2      GLN  38   7.828  14.593  20.874
  232    H    HIS  39           HN       HIS  39   2.239  13.429  18.465
  233    HA   HIS  39           HA       HIS  39   0.012  14.295  20.007
  234    HD1  HIS  39           HD1      HIS  39  -0.201  14.653  22.089
  235    HD2  HIS  39           HD2      HIS  39   0.581  18.616  21.116
  236    HE1  HIS  39           HE1      HIS  39  -1.559  16.022  23.704
  237    HE2  HIS  39           HE2      HIS  39  -0.981  18.415  23.168
  238    HB2  HIS  39           HB2      HIS  39   2.345  15.644  20.621
  239    HB3  HIS  39           HB1      HIS  39   1.573  16.700  19.442
  240    H    CYS  40           HN       CYS  40   1.464  13.694  17.180
  241    HA   CYS  40           HA       CYS  40  -0.667  14.813  15.646
  242    HG   CYS  40           HG       CYS  40  -1.242  17.206  15.316
  243    HB2  CYS  40           HB2      CYS  40   1.509  16.512  16.052
  244    HB3  CYS  40           HB1      CYS  40   1.762  15.853  14.440
  245    H    CYS  41           HN       CYS  41   1.333  14.929  13.296
  246    HA   CYS  41           HA       CYS  41   2.071  13.567  11.644
  247    HB2  CYS  41           HB2      CYS  41   2.362  11.399  13.724
  248    HB3  CYS  41           HB1      CYS  41   3.231  11.553  12.201
  249    HA   PRO  42           HA       PRO  42  -1.968  11.248  11.572
  250    HB2  PRO  42           HB2      PRO  42  -3.637  13.024  10.502
  251    HB3  PRO  42           HB1      PRO  42  -3.225  13.093  12.220
  252    HG2  PRO  42           HG2      PRO  42  -2.261  14.790   9.970
  253    HG3  PRO  42           HG1      PRO  42  -2.586  15.233  11.653
  254    HD2  PRO  42           HD2      PRO  42  -0.070  14.645  10.531
  255    HD3  PRO  42           HD1      PRO  42  -0.445  14.789  12.258
  256    H    GLN  43           HN       GLN  43  -3.307  10.667   9.642
  257    HA   GLN  43           HA       GLN  43  -3.425   9.840   7.528
  258    HB2  GLN  43           HB2      GLN  43  -3.443  12.505   7.294
  259    HB3  GLN  43           HB1      GLN  43  -1.969  12.169   6.396
  260    HG2  GLN  43           HG2      GLN  43  -3.645  12.201   4.782
  261    HG3  GLN  43           HG1      GLN  43  -3.355  10.488   5.078
  262   HE21  GLN  43          1HE2      GLN  43  -5.634  11.036   3.893
  263   HE22  GLN  43          2HE2      GLN  43  -6.976  10.907   4.972
  264    H    GLY  44           HN       GLY  44  -1.030   9.244   9.108
  265    HA2  GLY  44           HA2      GLY  44   0.822   7.916   8.742
  266    HA3  GLY  44           HA1      GLY  44   0.500   8.020   7.017
  267    H    TYR  45           HN       TYR  45   2.860   8.494   9.055
  268    HA   TYR  45           HA       TYR  45   4.022  10.663   7.479
  269    HD1  TYR  45           HD2      TYR  45   1.521  12.102   9.106
  270    HD2  TYR  45           HD1      TYR  45   5.603  13.296   9.071
  271    HE1  TYR  45           HE2      TYR  45   0.848  14.361   8.407
  272    HE2  TYR  45           HE1      TYR  45   4.942  15.560   8.372
  273    HH   TYR  45           HH       TYR  45   2.504  16.418   6.997
  274    HB2  TYR  45           HB2      TYR  45   3.327  10.818  10.322
  275    HB3  TYR  45           HB1      TYR  45   5.010  11.213   9.992
  276    H    THR  46           HN       THR  46   6.411  10.845   7.885
  277    HA   THR  46           HA       THR  46   7.523   8.152   8.291
  278    HB   THR  46           HB       THR  46   9.136  10.315   7.023
  279    HG1  THR  46           HG1      THR  46   8.117   9.674   4.979
  280   HG21  THR  46          3HG2      THR  46   8.821   7.437   6.202
  281   HG22  THR  46          1HG2      THR  46   9.901   7.924   7.507
  282   HG23  THR  46          2HG2      THR  46  10.163   8.533   5.874
  283    H    CYS  47           HN       CYS  47   8.767   7.782  10.005
  284    HA   CYS  47           HA       CYS  47   9.476   9.977  11.757
  285    HB2  CYS  47           HB2      CYS  47  10.453   7.990  13.127
  286    HB3  CYS  47           HB1      CYS  47   8.707   8.156  12.985
  287    H    VAL  48           HN       VAL  48  11.308  11.063  11.529
  288    HA   VAL  48           HA       VAL  48  13.654   9.647  10.443
  289    HB   VAL  48           HB       VAL  48  12.877  11.358   8.895
  290   HG11  VAL  48          1HG1      VAL  48  11.812  12.766  10.709
  291   HG12  VAL  48          2HG1      VAL  48  12.654  13.644   9.433
  292   HG13  VAL  48          3HG1      VAL  48  13.419  13.428  11.006
  293   HG21  VAL  48          3HG2      VAL  48  15.254  12.725   9.967
  294   HG22  VAL  48          1HG2      VAL  48  14.957  12.048   8.366
  295   HG23  VAL  48          2HG2      VAL  48  15.429  10.992   9.698
  296    H    ALA  49           HN       ALA  49  15.523   9.707  11.550
  297    HA   ALA  49           HA       ALA  49  16.964   9.967  13.288
  298    HB1  ALA  49           HB1      ALA  49  17.618  12.098  13.678
  299    HB2  ALA  49           HB2      ALA  49  15.974  12.666  13.971
  300    HB3  ALA  49           HB3      ALA  49  16.544  12.426  12.319
  301    H    GLU  50           HN       GLU  50  14.006   9.245  13.762
  302    HA   GLU  50           HA       GLU  50  12.630   8.749  15.509
  303    HB2  GLU  50           HB2      GLU  50  15.218   7.944  16.163
  304    HB3  GLU  50           HB1      GLU  50  14.640   8.768  17.605
  305    HG2  GLU  50           HG2      GLU  50  12.507   7.187  16.894
  306    HG3  GLU  50           HG1      GLU  50  13.903   6.183  16.509
  307    H    GLY  51           HN       GLY  51  11.768  10.962  15.299
  308    HA2  GLY  51           HA2      GLY  51  11.405  12.181  17.791
  309    HA3  GLY  51           HA1      GLY  51  12.634  13.095  16.930
  310    H    GLN  52           HN       GLN  52  12.056  13.950  14.801
  311    HA   GLN  52           HA       GLN  52   9.309  14.919  14.829
  312    HB2  GLN  52           HB2      GLN  52  11.662  15.708  13.100
  313    HB3  GLN  52           HB1      GLN  52  10.086  16.489  13.087
  314    HG2  GLN  52           HG2      GLN  52  10.571  16.793  15.647
  315    HG3  GLN  52           HG1      GLN  52  12.245  16.600  15.129
  316   HE21  GLN  52          1HE2      GLN  52  10.377  18.887  16.071
  317   HE22  GLN  52          2HE2      GLN  52  10.762  20.170  14.978
  318    H    CYS  53           HN       CYS  53   7.843  14.625  13.173
  319    HA   CYS  53           HA       CYS  53   8.501  12.447  11.310
  320    HB2  CYS  53           HB2      CYS  53   6.115  11.997  11.196
  321    HB3  CYS  53           HB1      CYS  53   6.636  12.022  12.877
  322    H    GLN  54           HN       GLN  54   8.395  12.723   9.170
  323    HA   GLN  54           HA       GLN  54   7.279  15.239   8.133
  324    HB2  GLN  54           HB2      GLN  54   9.984  14.552   8.169
  325    HB3  GLN  54           HB1      GLN  54   9.465  14.211   6.523
  326    HG2  GLN  54           HG2      GLN  54   8.662  16.803   7.718
  327    HG3  GLN  54           HG1      GLN  54  10.350  16.587   7.258
  328   HE21  GLN  54          1HE2      GLN  54  10.200  15.103   5.015
  329   HE22  GLN  54          2HE2      GLN  54   9.363  15.963   3.772
  330    H    LYS  55           HN       LYS  55   6.215  15.116   6.169
  331    HA   LYS  55           HA       LYS  55   5.699  12.383   5.208
  332    HB2  LYS  55           HB2      LYS  55   3.894  14.254   6.067
  333    HB3  LYS  55           HB1      LYS  55   3.869  14.507   4.326
  334    HG2  LYS  55           HG2      LYS  55   3.776  11.712   4.806
  335    HG3  LYS  55           HG1      LYS  55   2.581  12.492   5.845
  336    HD2  LYS  55           HD2      LYS  55   2.649  13.525   3.103
  337    HD3  LYS  55           HD1      LYS  55   2.193  11.824   3.224
  338    HE2  LYS  55           HE2      LYS  55   0.645  12.732   5.154
  339    HE3  LYS  55           HE1      LYS  55   0.811  14.246   4.268
  340    HZ1  LYS  55           HZ1      LYS  55  -0.300  13.421   2.463
  341    HZ2  LYS  55           HZ2      LYS  55  -1.099  12.594   3.704
  342    HZ3  LYS  55           HZ3      LYS  55   0.094  11.809   2.797
  343    H    LEU  56           HN       LEU  56   4.809  12.546   2.799
  344    HA   LEU  56           HA       LEU  56   7.023  13.667   1.274
  345    HG   LEU  56           HG       LEU  56   6.928  11.086   1.919
  346    HB2  LEU  56           HB2      LEU  56   4.762  11.847   0.446
  347    HB3  LEU  56           HB1      LEU  56   6.077  12.349  -0.598
  348   HD11  LEU  56          1HD1      LEU  56   5.296   9.608  -0.124
  349   HD12  LEU  56          2HD1      LEU  56   5.098   9.642   1.628
  350   HD13  LEU  56          3HD1      LEU  56   6.473   8.800   0.912
  351   HD21  LEU  56          3HD2      LEU  56   7.917   9.836  -0.425
  352   HD22  LEU  56          1HD2      LEU  56   8.765  10.904   0.693
  353   HD23  LEU  56          2HD2      LEU  56   7.915  11.578  -0.697
  354    H    ALA  57           HN       ALA  57   6.348  14.478  -1.007
  355    HA   ALA  57           HA       ALA  57   4.014  16.255  -0.763
  356    HB1  ALA  57           HB1      ALA  57   6.802  16.977  -1.624
  357    HB2  ALA  57           HB2      ALA  57   5.832  17.692  -0.336
  358    HB3  ALA  57           HB3      ALA  57   5.400  17.968  -2.023
  359    H    ALA  58           HN       ALA  58   2.827  14.826  -2.074
  360    HA   ALA  58           HA       ALA  58   3.398  15.124  -4.923
  361    HB1  ALA  58           HB1      ALA  58   2.487  12.427  -4.119
  362    HB2  ALA  58           HB2      ALA  58   4.170  12.831  -3.782
  363    HB3  ALA  58           HB3      ALA  58   3.555  12.921  -5.432
  364    H    ALA  59           HN       ALA  59   1.360  15.740  -2.588
  365    HA   ALA  59           HA       ALA  59  -1.117  14.661  -3.440
  366    HB1  ALA  59           HB1      ALA  59  -2.099  15.970  -1.803
  367    HB2  ALA  59           HB2      ALA  59  -0.914  17.263  -1.980
  368    HB3  ALA  59           HB3      ALA  59  -0.462  15.757  -1.183
  369    H    LEU  60           HN       LEU  60  -2.966  16.161  -4.101
  370    HA   LEU  60           HA       LEU  60  -2.303  18.438  -5.712
  371    HG   LEU  60           HG       LEU  60  -0.786  17.792  -7.326
  372    HB2  LEU  60           HB2      LEU  60  -2.475  15.799  -6.924
  373    HB3  LEU  60           HB1      LEU  60  -3.624  16.923  -7.624
  374   HD11  LEU  60          1HD1      LEU  60   0.059  16.507  -8.967
  375   HD12  LEU  60          2HD1      LEU  60  -1.459  16.469  -9.864
  376   HD13  LEU  60          3HD1      LEU  60  -1.222  15.394  -8.486
  377   HD21  LEU  60          3HD2      LEU  60  -1.566  18.695  -9.690
  378   HD22  LEU  60          1HD2      LEU  60  -1.986  19.524  -8.191
  379   HD23  LEU  60          2HD2      LEU  60  -3.161  18.467  -8.972
  380    H    GLU  61           HN       GLU  61  -4.113  19.632  -6.337
  381    HA   GLU  61           HA       GLU  61  -6.211  20.476  -6.119
  382    HB2  GLU  61           HB2      GLU  61  -6.507  17.981  -7.226
  383    HB3  GLU  61           HB1      GLU  61  -7.582  17.897  -5.837
  384    HG2  GLU  61           HG2      GLU  61  -8.640  20.015  -6.631
  385    HG3  GLU  61           HG1      GLU  61  -7.666  19.882  -8.093
  386    H    HIS  62           HN       HIS  62  -6.071  21.421  -4.120
  387    HA   HIS  62           HA       HIS  62  -7.381  19.958  -1.944
  388    HD1  HIS  62           HD1      HIS  62  -5.653  21.288   1.385
  389    HD2  HIS  62           HD2      HIS  62  -5.640  17.793  -0.862
  390    HE1  HIS  62           HE1      HIS  62  -5.862  19.417   3.052
  391    HE2  HIS  62           HE2      HIS  62  -5.943  17.316   1.663
  392    HB2  HIS  62           HB2      HIS  62  -4.658  20.359  -1.960
  393    HB3  HIS  62           HB1      HIS  62  -5.238  21.731  -1.019
  394    H    HIS  63           HN       HIS  63  -6.357  23.045  -3.304
  395    HA   HIS  63           HA       HIS  63  -8.351  24.409  -1.629
  396    HD1  HIS  63           HD1      HIS  63  -6.698  26.680   0.232
  397    HD2  HIS  63           HD2      HIS  63  -4.304  23.858  -1.660
  398    HE1  HIS  63           HE1      HIS  63  -4.983  25.998   1.940
  399    HE2  HIS  63           HE2      HIS  63  -3.587  24.241   0.796
  400    HB2  HIS  63           HB2      HIS  63  -6.040  25.564  -3.204
  401    HB3  HIS  63           HB1      HIS  63  -7.173  26.496  -2.231
  402    H    HIS  64           HN       HIS  64  -7.107  25.707  -4.626
  403    HA   HIS  64           HA       HIS  64  -8.085  26.322  -6.578
  404    HD1  HIS  64           HD1      HIS  64  -9.465  22.372  -8.368
  405    HD2  HIS  64           HD2      HIS  64  -7.032  25.736  -8.178
  406    HE1  HIS  64           HE1      HIS  64  -7.886  22.171 -10.314
  407    HE2  HIS  64           HE2      HIS  64  -6.473  24.255 -10.224
  408    HB2  HIS  64           HB2      HIS  64  -9.293  23.738  -5.944
  409    HB3  HIS  64           HB1      HIS  64 -10.333  24.752  -6.938
  410    H    HIS  65           HN       HIS  65  -9.303  28.034  -7.026
  411    HA   HIS  65           HA       HIS  65 -10.831  29.705  -6.812
  412    HD1  HIS  65           HD1      HIS  65 -13.706  26.346  -8.009
  413    HD2  HIS  65           HD2      HIS  65 -11.849  29.957  -8.887
  414    HE1  HIS  65           HE1      HIS  65 -13.933  26.631 -10.497
  415    HE2  HIS  65           HE2      HIS  65 -12.742  28.789 -11.015
  416    HB2  HIS  65           HB2      HIS  65 -12.467  27.300  -6.044
  417    HB3  HIS  65           HB1      HIS  65 -13.167  28.914  -6.026
  418    H    HIS  66           HN       HIS  66 -12.879  30.112  -4.915
  419    HA   HIS  66           HA       HIS  66 -11.317  31.076  -2.714
  420    HD1  HIS  66           HD1      HIS  66 -11.313  32.837  -1.475
  421    HD2  HIS  66           HD2      HIS  66 -14.239  34.170  -4.107
  422    HE1  HIS  66           HE1      HIS  66 -10.941  35.313  -1.693
  423    HE2  HIS  66           HE2      HIS  66 -12.660  36.081  -3.367
  424    HB2  HIS  66           HB2      HIS  66 -14.004  31.474  -3.766
  425    HB3  HIS  66           HB1      HIS  66 -13.988  31.378  -2.008
  426    H    HIS  67           HN       HIS  67 -12.854  30.802  -0.503
  427    HA   HIS  67           HA       HIS  67 -12.394  28.021   0.184
  428    HD1  HIS  67           HD1      HIS  67 -12.517  32.263   1.370
  429    HD2  HIS  67           HD2      HIS  67  -9.702  29.260   1.947
  430    HE1  HIS  67           HE1      HIS  67 -10.285  33.423   1.363
  431    HE2  HIS  67           HE2      HIS  67  -8.602  31.595   1.778
  432    HB2  HIS  67           HB2      HIS  67 -13.527  30.021   2.104
  433    HB3  HIS  67           HB1      HIS  67 -12.421  28.686   2.408
  Start of MODEL    3
    1    H    VAL   1           HT1      VAL   1  13.537   0.219  -8.857
    2    HA   VAL   1           HA       VAL   1  14.278   2.823  -7.768
    3    HB   VAL   1           HB       VAL   1  13.659   0.316  -6.236
    4   HG11  VAL   1          1HG1      VAL   1  13.159   3.244  -5.715
    5   HG12  VAL   1          2HG1      VAL   1  14.422   2.253  -4.983
    6   HG13  VAL   1          3HG1      VAL   1  12.725   1.923  -4.631
    7   HG21  VAL   1          3HG2      VAL   1  11.792   1.960  -7.873
    8   HG22  VAL   1          1HG2      VAL   1  11.236   1.352  -6.313
    9   HG23  VAL   1          2HG2      VAL   1  11.787   0.225  -7.553
   10    HA   PRO   2           HA       PRO   2  18.445   0.977  -7.526
   11    HB2  PRO   2           HB2      PRO   2  19.793   3.310  -7.497
   12    HB3  PRO   2           HB1      PRO   2  19.165   2.606  -8.992
   13    HG2  PRO   2           HG2      PRO   2  18.025   4.802  -7.307
   14    HG3  PRO   2           HG1      PRO   2  18.149   4.695  -9.073
   15    HD2  PRO   2           HD2      PRO   2  15.859   4.149  -7.691
   16    HD3  PRO   2           HD1      PRO   2  16.260   3.404  -9.250
   17    H    CYS   3           HN       CYS   3  17.135   3.671  -5.640
   18    HA   CYS   3           HA       CYS   3  17.310   4.254  -3.453
   19    HB2  CYS   3           HB2      CYS   3  16.465   1.920  -3.168
   20    HB3  CYS   3           HB1      CYS   3  18.132   1.376  -3.021
   21    H    ASP   4           HN       ASP   4  19.782   1.810  -3.007
   22    HA   ASP   4           HA       ASP   4  21.752   3.964  -2.634
   23    HB2  ASP   4           HB2      ASP   4  21.000   2.240  -0.749
   24    HB3  ASP   4           HB1      ASP   4  22.219   1.234  -1.528
   25    H    ASN   5           HN       ASN   5  24.075   2.522  -2.631
   26    HA   ASN   5           HA       ASN   5  24.302   1.818  -5.456
   27    HB2  ASN   5           HB2      ASN   5  25.992   3.140  -3.557
   28    HB3  ASN   5           HB1      ASN   5  26.836   1.728  -4.186
   29   HD21  ASN   5          1HD2      ASN   5  27.227   4.644  -4.591
   30   HD22  ASN   5          2HD2      ASN   5  27.226   4.862  -6.305
   31    H    VAL   6           HN       VAL   6  24.419   0.384  -2.310
   32    HA   VAL   6           HA       VAL   6  25.451  -2.126  -3.442
   33    HB   VAL   6           HB       VAL   6  25.546  -2.802  -0.958
   34   HG11  VAL   6          1HG1      VAL   6  27.341  -0.847  -2.335
   35   HG12  VAL   6          2HG1      VAL   6  27.598  -2.558  -1.997
   36   HG13  VAL   6          3HG1      VAL   6  27.700  -1.377  -0.691
   37   HG21  VAL   6          3HG2      VAL   6  26.029  -0.617   0.410
   38   HG22  VAL   6          1HG2      VAL   6  24.380  -1.218   0.232
   39   HG23  VAL   6          2HG2      VAL   6  24.946   0.113  -0.775
   40    H    SER   7           HN       SER   7  22.610  -0.603  -2.352
   41    HA   SER   7           HA       SER   7  21.246  -3.204  -2.108
   42    HG   SER   7           HG       SER   7  19.423  -2.392   0.522
   43    HB2  SER   7           HB2      SER   7  21.268  -1.500  -0.135
   44    HB3  SER   7           HB1      SER   7  20.070  -0.632  -1.095
   45    H    SER   8           HN       SER   8  19.244  -3.491  -3.143
   46    HA   SER   8           HA       SER   8  18.162  -1.433  -4.844
   47    HG   SER   8           HG       SER   8  20.131  -4.419  -6.734
   48    HB2  SER   8           HB2      SER   8  18.370  -3.192  -6.837
   49    HB3  SER   8           HB1      SER   8  19.629  -1.997  -6.522
   50    H    CYS   9           HN       CYS   9  16.032  -1.732  -5.172
   51    HA   CYS   9           HA       CYS   9  14.808  -4.082  -3.980
   52    HB2  CYS   9           HB2      CYS   9  13.962  -1.340  -4.642
   53    HB3  CYS   9           HB1      CYS   9  12.723  -2.568  -4.878
   54    HA   PRO  10           HA       PRO  10  14.048  -5.773  -8.047
   55    HB2  PRO  10           HB2      PRO  10  13.376  -8.240  -7.236
   56    HB3  PRO  10           HB1      PRO  10  15.035  -7.646  -7.120
   57    HG2  PRO  10           HG2      PRO  10  13.051  -8.103  -4.986
   58    HG3  PRO  10           HG1      PRO  10  14.818  -8.062  -4.889
   59    HD2  PRO  10           HD2      PRO  10  12.947  -5.972  -4.246
   60    HD3  PRO  10           HD1      PRO  10  14.714  -5.935  -4.118
   61    H    SER  11           HN       SER  11  12.262  -6.739  -9.241
   62    HA   SER  11           HA       SER  11  10.100  -6.780  -9.939
   63    HG   SER  11           HG       SER  11   8.781  -9.356  -8.333
   64    HB2  SER  11           HB2      SER  11  10.156  -7.994  -7.359
   65    HB3  SER  11           HB1      SER  11   8.669  -7.055  -7.486
   66    H    SER  12           HN       SER  12   9.003  -5.580  -6.841
   67    HA   SER  12           HA       SER  12   9.008  -2.820  -7.567
   68    HG   SER  12           HG       SER  12   6.999  -1.665  -7.269
   69    HB2  SER  12           HB2      SER  12   7.162  -3.774  -9.012
   70    HB3  SER  12           HB1      SER  12   6.294  -4.148  -7.524
   71    H    ASP  13           HN       ASP  13  10.079  -3.216  -5.422
   72    HA   ASP  13           HA       ASP  13   8.071  -3.076  -3.269
   73    HB2  ASP  13           HB2      ASP  13  10.826  -3.954  -2.593
   74    HB3  ASP  13           HB1      ASP  13   9.288  -4.456  -1.908
   75    H    THR  14           HN       THR  14   9.076  -2.011  -1.242
   76    HA   THR  14           HA       THR  14  10.273   0.509  -2.129
   77    HB   THR  14           HB       THR  14   8.299   0.871  -0.857
   78    HG1  THR  14           HG1      THR  14  10.572   1.844  -0.134
   79   HG21  THR  14          3HG2      THR  14   9.490  -0.912   1.271
   80   HG22  THR  14          1HG2      THR  14   8.146  -1.328   0.208
   81   HG23  THR  14          2HG2      THR  14   7.964  -0.037   1.394
   82    H    CYS  15           HN       CYS  15  12.052   1.446  -1.064
   83    HA   CYS  15           HA       CYS  15  13.880  -0.528   0.086
   84    HB2  CYS  15           HB2      CYS  15  14.587   0.877  -1.870
   85    HB3  CYS  15           HB1      CYS  15  14.493   2.290  -0.823
   86    H    CYS  16           HN       CYS  16  14.172  -0.617   2.202
   87    HA   CYS  16           HA       CYS  16  13.682   1.808   3.805
   88    HG   CYS  16           HG       CYS  16  13.479   0.885   6.940
   89    HB2  CYS  16           HB2      CYS  16  12.059  -0.201   4.025
   90    HB3  CYS  16           HB1      CYS  16  13.377  -0.978   4.894
   91    H    GLN  17           HN       GLN  17  14.770   1.553   6.057
   92    HA   GLN  17           HA       GLN  17  17.501   0.526   5.643
   93    HB2  GLN  17           HB2      GLN  17  17.336   3.012   5.671
   94    HB3  GLN  17           HB1      GLN  17  16.690   2.918   7.304
   95    HG2  GLN  17           HG2      GLN  17  18.847   1.661   7.875
   96    HG3  GLN  17           HG1      GLN  17  19.450   2.279   6.338
   97   HE21  GLN  17          1HE2      GLN  17  18.259   3.161   9.509
   98   HE22  GLN  17          2HE2      GLN  17  18.946   4.746   9.538
   99    H    LEU  18           HN       LEU  18  18.534  -0.479   7.363
  100    HA   LEU  18           HA       LEU  18  16.736  -1.424   9.477
  101    HG   LEU  18           HG       LEU  18  17.430  -2.634   6.968
  102    HB2  LEU  18           HB2      LEU  18  19.452  -2.524   8.786
  103    HB3  LEU  18           HB1      LEU  18  18.193  -3.291   9.736
  104   HD11  LEU  18          1HD1      LEU  18  18.764  -4.126   5.846
  105   HD12  LEU  18          2HD1      LEU  18  19.167  -5.031   7.304
  106   HD13  LEU  18          3HD1      LEU  18  19.911  -3.460   7.008
  107   HD21  LEU  18          3HD2      LEU  18  16.662  -4.389   9.071
  108   HD22  LEU  18          1HD2      LEU  18  17.088  -5.355   7.658
  109   HD23  LEU  18          2HD2      LEU  18  15.861  -4.096   7.529
  110    H    THR  19           HN       THR  19  18.016  -2.004  11.574
  111    HA   THR  19           HA       THR  19  19.163   0.486  12.520
  112    HB   THR  19           HB       THR  19  19.220  -0.810  14.744
  113    HG1  THR  19           HG1      THR  19  17.246  -2.488  14.026
  114   HG21  THR  19          3HG2      THR  19  17.192   0.595  13.414
  115   HG22  THR  19          1HG2      THR  19  17.326   0.297  15.148
  116   HG23  THR  19          2HG2      THR  19  16.406  -0.812  14.130
  117    H    SER  20           HN       SER  20  20.447  -1.986  10.900
  118    HA   SER  20           HA       SER  20  22.853  -2.290  12.530
  119    HG   SER  20           HG       SER  20  22.664  -5.497  11.561
  120    HB2  SER  20           HB2      SER  20  21.498  -3.906  10.556
  121    HB3  SER  20           HB1      SER  20  23.187  -3.677  10.107
  122    H    GLY  21           HN       GLY  21  21.852   0.067  10.687
  123    HA2  GLY  21           HA2      GLY  21  23.045   1.812   9.738
  124    HA3  GLY  21           HA1      GLY  21  24.513   0.867   9.924
  125    H    GLU  22           HN       GLU  22  22.380  -1.128   8.445
  126    HA   GLU  22           HA       GLU  22  23.310  -0.324   5.768
  127    HB2  GLU  22           HB2      GLU  22  24.130  -2.538   6.848
  128    HB3  GLU  22           HB1      GLU  22  22.517  -3.132   6.476
  129    HG2  GLU  22           HG2      GLU  22  22.846  -2.840   4.152
  130    HG3  GLU  22           HG1      GLU  22  24.325  -1.918   4.409
  131    H    TRP  23           HN       TRP  23  21.885  -0.481   4.027
  132    HA   TRP  23           HA       TRP  23  19.092  -0.221   4.757
  133    HD1  TRP  23           HD1      TRP  23  21.867   2.000   4.016
  134    HE1  TRP  23           HE1      TRP  23  21.215   4.446   4.481
  135    HE3  TRP  23           HE3      TRP  23  17.056   1.899   2.290
  136    HZ2  TRP  23           HZ2      TRP  23  18.959   6.112   4.157
  137    HZ3  TRP  23           HZ3      TRP  23  15.719   3.960   2.405
  138    HH2  TRP  23           HH2      TRP  23  16.652   6.023   3.319
  139    HB2  TRP  23           HB2      TRP  23  20.617   0.208   2.191
  140    HB3  TRP  23           HB1      TRP  23  18.859   0.281   2.259
  141    H    GLY  24           HN       GLY  24  17.580  -1.161   2.872
  142    HA2  GLY  24           HA2      GLY  24  18.221  -3.652   1.730
  143    HA3  GLY  24           HA1      GLY  24  17.462  -3.929   3.291
  144    H    CYS  25           HN       CYS  25  16.342  -4.803   0.880
  145    HA   CYS  25           HA       CYS  25  14.195  -2.921   0.271
  146    HB2  CYS  25           HB2      CYS  25  15.424  -4.171  -1.540
  147    HB3  CYS  25           HB1      CYS  25  14.676  -5.647  -0.939
  148    H    CYS  26           HN       CYS  26  12.009  -3.377   0.567
  149    HA   CYS  26           HA       CYS  26  11.379  -5.748   2.185
  150    HG   CYS  26           HG       CYS  26  12.200  -1.871   2.754
  151    HB2  CYS  26           HB2      CYS  26   9.687  -4.101   3.349
  152    HB3  CYS  26           HB1      CYS  26  11.357  -4.201   3.896
  153    HA   PRO  27           HA       PRO  27   8.414  -5.692  -1.288
  154    HB2  PRO  27           HB2      PRO  27   8.110  -8.525  -0.591
  155    HB3  PRO  27           HB1      PRO  27   8.619  -7.798  -2.117
  156    HG2  PRO  27           HG2      PRO  27  10.334  -9.143  -0.531
  157    HG3  PRO  27           HG1      PRO  27  10.842  -7.753  -1.508
  158    HD2  PRO  27           HD2      PRO  27  10.205  -7.882   1.419
  159    HD3  PRO  27           HD1      PRO  27  11.527  -7.029   0.590
  160    H    ILE  28           HN       ILE  28   6.372  -5.098  -0.981
  161    HA   ILE  28           HA       ILE  28   4.482  -4.554   0.216
  162    HB   ILE  28           HB       ILE  28   3.813  -6.472  -1.128
  163   HG12  ILE  28          2HG1      ILE  28   2.526  -6.836   1.567
  164   HG13  ILE  28          1HG1      ILE  28   2.295  -5.361   0.633
  165   HG21  ILE  28          1HG2      ILE  28   3.970  -8.693  -0.504
  166   HG22  ILE  28          2HG2      ILE  28   4.183  -8.305   1.204
  167   HG23  ILE  28          3HG2      ILE  28   5.498  -8.020   0.064
  168   HD11  ILE  28          3HD1      ILE  28   1.682  -7.157  -1.244
  169   HD12  ILE  28          1HD1      ILE  28   0.500  -6.498  -0.112
  170   HD13  ILE  28          2HD1      ILE  28   1.231  -8.074   0.193
  171    HA   PRO  29           HA       PRO  29   6.350  -5.422   4.424
  172    HB2  PRO  29           HB2      PRO  29   6.060  -2.508   4.711
  173    HB3  PRO  29           HB1      PRO  29   7.473  -3.528   4.989
  174    HG2  PRO  29           HG2      PRO  29   7.323  -1.855   2.890
  175    HG3  PRO  29           HG1      PRO  29   8.156  -3.417   2.788
  176    HD2  PRO  29           HD2      PRO  29   5.434  -2.649   1.803
  177    HD3  PRO  29           HD1      PRO  29   6.668  -3.668   1.031
  178    H    GLU  30           HN       GLU  30   5.463  -3.846   6.479
  179    HA   GLU  30           HA       GLU  30   3.729  -3.603   7.925
  180    HB2  GLU  30           HB2      GLU  30   2.059  -3.119   5.454
  181    HB3  GLU  30           HB1      GLU  30   1.698  -2.595   7.092
  182    HG2  GLU  30           HG2      GLU  30   2.735  -0.688   6.693
  183    HG3  GLU  30           HG1      GLU  30   4.242  -1.570   6.450
  184    H    ALA  31           HN       ALA  31   3.912  -5.889   8.402
  185    HA   ALA  31           HA       ALA  31   1.566  -7.412   7.470
  186    HB1  ALA  31           HB1      ALA  31   4.391  -8.153   7.564
  187    HB2  ALA  31           HB2      ALA  31   3.066  -8.843   6.626
  188    HB3  ALA  31           HB3      ALA  31   3.316  -9.340   8.300
  189    H    VAL  32           HN       VAL  32   3.972  -7.964  10.031
  190    HA   VAL  32           HA       VAL  32   1.749  -8.033  11.967
  191    HB   VAL  32           HB       VAL  32   4.333  -9.546  12.294
  192   HG11  VAL  32          1HG1      VAL  32   1.625  -9.708  13.603
  193   HG12  VAL  32          2HG1      VAL  32   3.157  -9.248  14.346
  194   HG13  VAL  32          3HG1      VAL  32   2.894 -10.912  13.824
  195   HG21  VAL  32          3HG2      VAL  32   3.473 -11.431  11.266
  196   HG22  VAL  32          1HG2      VAL  32   2.902 -10.141  10.207
  197   HG23  VAL  32          2HG2      VAL  32   1.807 -10.866  11.385
  198    H    CYS  33           HN       CYS  33   5.139  -8.272  12.801
  199    HA   CYS  33           HA       CYS  33   6.479  -7.015  14.135
  200    HG   CYS  33           HG       CYS  33   7.679  -3.400  13.040
  201    HB2  CYS  33           HB2      CYS  33   5.731  -5.414  12.042
  202    HB3  CYS  33           HB1      CYS  33   5.278  -4.428  13.428
  203    H    CYS  34           HN       CYS  34   6.324  -4.906  15.692
  204    HA   CYS  34           HA       CYS  34   3.874  -4.449  17.015
  205    HB2  CYS  34           HB2      CYS  34   4.131  -6.760  17.767
  206    HB3  CYS  34           HB1      CYS  34   5.744  -6.403  18.371
  207    H    SER  35           HN       SER  35   4.124  -2.463  17.773
  208    HA   SER  35           HA       SER  35   6.658  -1.744  19.075
  209    HG   SER  35           HG       SER  35   6.004  -0.298  15.583
  210    HB2  SER  35           HB2      SER  35   5.336   0.412  17.539
  211    HB3  SER  35           HB1      SER  35   7.052   0.060  17.745
  212    H    ASP  36           HN       ASP  36   4.204  -2.540  20.277
  213    HA   ASP  36           HA       ASP  36   2.669  -0.302  21.103
  214    HB2  ASP  36           HB2      ASP  36   2.966  -3.116  22.127
  215    HB3  ASP  36           HB1      ASP  36   1.977  -1.937  22.982
  216    H    HIS  37           HN       HIS  37   5.184  -2.200  22.764
  217    HA   HIS  37           HA       HIS  37   5.418  -0.070  24.762
  218    HD1  HIS  37           HD1      HIS  37   6.006  -1.720  28.036
  219    HD2  HIS  37           HD2      HIS  37   3.188  -2.694  25.141
  220    HE1  HIS  37           HE1      HIS  37   3.845  -2.045  29.283
  221    HE2  HIS  37           HE2      HIS  37   2.172  -2.707  27.520
  222    HB2  HIS  37           HB2      HIS  37   6.164  -2.968  24.704
  223    HB3  HIS  37           HB1      HIS  37   7.020  -1.884  25.796
  224    H    GLN  38           HN       GLN  38   7.553  -2.152  22.805
  225    HA   GLN  38           HA       GLN  38   9.214   0.077  22.090
  226    HB2  GLN  38           HB2      GLN  38  11.291  -0.858  23.088
  227    HB3  GLN  38           HB1      GLN  38  10.134  -0.299  24.287
  228    HG2  GLN  38           HG2      GLN  38   9.422  -2.589  24.692
  229    HG3  GLN  38           HG1      GLN  38  10.547  -3.164  23.462
  230   HE21  GLN  38          1HE2      GLN  38  10.451  -1.286  26.463
  231   HE22  GLN  38          2HE2      GLN  38  11.967  -1.849  27.070
  232    H    HIS  39           HN       HIS  39  11.389  -0.981  21.090
  233    HA   HIS  39           HA       HIS  39  10.389  -2.818  19.061
  234    HD1  HIS  39           HD1      HIS  39   9.796  -2.525  17.414
  235    HD2  HIS  39           HD2      HIS  39  12.653   0.362  16.536
  236    HE1  HIS  39           HE1      HIS  39   9.050  -1.476  15.254
  237    HE2  HIS  39           HE2      HIS  39  10.787   0.277  14.747
  238    HB2  HIS  39           HB2      HIS  39  12.458  -0.760  19.201
  239    HB3  HIS  39           HB1      HIS  39  13.017  -2.231  18.412
  240    H    CYS  40           HN       CYS  40  10.383  -4.406  21.010
  241    HA   CYS  40           HA       CYS  40  12.973  -5.565  21.597
  242    HG   CYS  40           HG       CYS  40  13.523  -6.433  23.736
  243    HB2  CYS  40           HB2      CYS  40  10.394  -5.564  22.825
  244    HB3  CYS  40           HB1      CYS  40  10.859  -7.234  22.518
  245    H    CYS  41           HN       CYS  41  10.547  -5.947  19.249
  246    HA   CYS  41           HA       CYS  41  11.906  -8.302  18.207
  247    HB2  CYS  41           HB2      CYS  41   9.418  -9.151  17.714
  248    HB3  CYS  41           HB1      CYS  41  10.297  -9.599  19.172
  249    HA   PRO  42           HA       PRO  42  11.063  -6.086  14.459
  250    HB2  PRO  42           HB2      PRO  42  11.996  -7.855  12.680
  251    HB3  PRO  42           HB1      PRO  42  13.078  -7.020  13.800
  252    HG2  PRO  42           HG2      PRO  42  11.998  -9.803  13.929
  253    HG3  PRO  42           HG1      PRO  42  13.622  -9.211  14.320
  254    HD2  PRO  42           HD2      PRO  42  11.642  -9.734  16.179
  255    HD3  PRO  42           HD1      PRO  42  13.026  -8.659  16.450
  256    H    GLN  43           HN       GLN  43  10.496  -7.428  12.017
  257    HA   GLN  43           HA       GLN  43   7.669  -7.666  12.226
  258    HB2  GLN  43           HB2      GLN  43   9.657  -7.985  10.006
  259    HB3  GLN  43           HB1      GLN  43   7.989  -8.487   9.765
  260    HG2  GLN  43           HG2      GLN  43   7.741  -5.971  10.851
  261    HG3  GLN  43           HG1      GLN  43   9.153  -5.830   9.806
  262   HE21  GLN  43          1HE2      GLN  43   7.664  -4.332   8.687
  263   HE22  GLN  43          2HE2      GLN  43   6.610  -4.986   7.485
  264    H    GLY  44           HN       GLY  44   6.347  -9.454  12.011
  265    HA2  GLY  44           HA2      GLY  44   5.998 -11.787  11.530
  266    HA3  GLY  44           HA1      GLY  44   7.668 -12.088  11.987
  267    H    TYR  45           HN       TYR  45   7.818 -10.770  14.408
  268    HA   TYR  45           HA       TYR  45   6.198 -12.543  16.063
  269    HD1  TYR  45           HD2      TYR  45   7.484 -14.366  16.830
  270    HD2  TYR  45           HD1      TYR  45  10.550 -11.553  15.938
  271    HE1  TYR  45           HE2      TYR  45   8.964 -16.206  16.144
  272    HE2  TYR  45           HE1      TYR  45  12.038 -13.386  15.250
  273    HH   TYR  45           HH       TYR  45  12.329 -15.624  15.259
  274    HB2  TYR  45           HB2      TYR  45   8.550 -10.776  16.767
  275    HB3  TYR  45           HB1      TYR  45   7.730 -11.858  17.890
  276    H    THR  46           HN       THR  46   5.207 -11.724  18.043
  277    HA   THR  46           HA       THR  46   4.445  -8.888  17.932
  278    HB   THR  46           HB       THR  46   2.297 -10.746  18.729
  279    HG1  THR  46           HG1      THR  46   3.171 -10.504  16.024
  280   HG21  THR  46          3HG2      THR  46   0.901  -9.130  17.623
  281   HG22  THR  46          1HG2      THR  46   2.300  -8.381  16.853
  282   HG23  THR  46          2HG2      THR  46   2.084  -8.260  18.599
  283    H    CYS  47           HN       CYS  47   3.735  -8.004  19.933
  284    HA   CYS  47           HA       CYS  47   4.941  -9.296  22.227
  285    HB2  CYS  47           HB2      CYS  47   3.413  -6.728  22.412
  286    HB3  CYS  47           HB1      CYS  47   4.859  -7.231  23.282
  287    H    VAL  48           HN       VAL  48   3.612 -11.046  22.680
  288    HA   VAL  48           HA       VAL  48   0.971 -10.340  23.776
  289    HB   VAL  48           HB       VAL  48   0.729 -13.006  23.103
  290   HG11  VAL  48          1HG1      VAL  48  -0.717 -12.057  21.213
  291   HG12  VAL  48          2HG1      VAL  48  -0.222 -10.473  21.811
  292   HG13  VAL  48          3HG1      VAL  48  -1.102 -11.578  22.866
  293   HG21  VAL  48          3HG2      VAL  48   2.873 -12.464  21.691
  294   HG22  VAL  48          1HG2      VAL  48   1.705 -11.738  20.586
  295   HG23  VAL  48          2HG2      VAL  48   1.574 -13.445  21.012
  296    H    ALA  49           HN       ALA  49   0.366 -11.336  25.670
  297    HA   ALA  49           HA       ALA  49   0.634 -12.303  27.710
  298    HB1  ALA  49           HB1      ALA  49   2.419 -14.398  27.348
  299    HB2  ALA  49           HB2      ALA  49   1.612 -14.230  25.789
  300    HB3  ALA  49           HB3      ALA  49   0.660 -14.479  27.252
  301    H    GLU  50           HN       GLU  50   1.681 -10.777  28.882
  302    HA   GLU  50           HA       GLU  50   3.344  -9.746  30.041
  303    HB2  GLU  50           HB2      GLU  50   3.826 -12.418  30.262
  304    HB3  GLU  50           HB1      GLU  50   5.348 -11.860  29.582
  305    HG2  GLU  50           HG2      GLU  50   5.675 -11.787  31.884
  306    HG3  GLU  50           HG1      GLU  50   5.344 -10.115  31.437
  307    H    GLY  51           HN       GLY  51   6.139  -9.794  29.738
  308    HA2  GLY  51           HA2      GLY  51   6.372  -8.184  27.333
  309    HA3  GLY  51           HA1      GLY  51   7.581  -8.355  28.597
  310    H    GLN  52           HN       GLN  52   6.048 -10.138  25.935
  311    HA   GLN  52           HA       GLN  52   8.671 -11.228  25.243
  312    HB2  GLN  52           HB2      GLN  52   6.507 -12.747  26.384
  313    HB3  GLN  52           HB1      GLN  52   6.844 -13.315  24.755
  314    HG2  GLN  52           HG2      GLN  52   9.062 -12.920  26.718
  315    HG3  GLN  52           HG1      GLN  52   8.081 -14.385  26.743
  316   HE21  GLN  52          1HE2      GLN  52   8.157 -15.793  24.971
  317   HE22  GLN  52          2HE2      GLN  52   9.463 -15.758  23.840
  318    H    CYS  53           HN       CYS  53   8.342 -12.593  23.092
  319    HA   CYS  53           HA       CYS  53   6.399 -11.284  21.336
  320    HB2  CYS  53           HB2      CYS  53   9.373 -11.391  20.787
  321    HB3  CYS  53           HB1      CYS  53   8.151 -10.863  19.635
  322    H    GLN  54           HN       GLN  54   5.346 -12.792  20.261
  323    HA   GLN  54           HA       GLN  54   6.782 -15.083  19.162
  324    HB2  GLN  54           HB2      GLN  54   4.809 -15.198  21.341
  325    HB3  GLN  54           HB1      GLN  54   4.481 -16.298  20.010
  326    HG2  GLN  54           HG2      GLN  54   6.325 -17.566  20.413
  327    HG3  GLN  54           HG1      GLN  54   7.241 -16.219  21.087
  328   HE21  GLN  54          1HE2      GLN  54   7.490 -18.423  22.448
  329   HE22  GLN  54          2HE2      GLN  54   6.541 -18.427  23.892
  330    H    LYS  55           HN       LYS  55   5.313 -16.363  17.672
  331    HA   LYS  55           HA       LYS  55   3.921 -14.488  15.964
  332    HB2  LYS  55           HB2      LYS  55   5.274 -16.984  15.623
  333    HB3  LYS  55           HB1      LYS  55   3.636 -17.149  15.006
  334    HG2  LYS  55           HG2      LYS  55   5.154 -14.731  14.213
  335    HG3  LYS  55           HG1      LYS  55   5.639 -16.274  13.509
  336    HD2  LYS  55           HD2      LYS  55   2.991 -16.461  13.171
  337    HD3  LYS  55           HD1      LYS  55   3.157 -14.705  13.132
  338    HE2  LYS  55           HE2      LYS  55   3.778 -14.868  11.004
  339    HE3  LYS  55           HE1      LYS  55   5.234 -15.704  11.541
  340    HZ1  LYS  55           HZ1      LYS  55   3.210 -16.730   9.978
  341    HZ2  LYS  55           HZ2      LYS  55   3.021 -17.477  11.484
  342    HZ3  LYS  55           HZ3      LYS  55   4.497 -17.587  10.666
  343    H    LEU  56           HN       LEU  56   1.785 -14.215  15.833
  344    HA   LEU  56           HA       LEU  56   0.075 -15.828  17.551
  345    HG   LEU  56           HG       LEU  56   0.347 -13.726  18.767
  346    HB2  LEU  56           HB2      LEU  56  -0.153 -13.182  16.204
  347    HB3  LEU  56           HB1      LEU  56  -1.633 -14.047  16.572
  348   HD11  LEU  56          1HD1      LEU  56  -0.044 -11.511  19.176
  349   HD12  LEU  56          2HD1      LEU  56  -1.566 -11.499  18.285
  350   HD13  LEU  56          3HD1      LEU  56  -0.033 -11.507  17.412
  351   HD21  LEU  56          3HD2      LEU  56  -2.011 -13.202  19.848
  352   HD22  LEU  56          1HD2      LEU  56  -1.472 -14.854  19.549
  353   HD23  LEU  56          2HD2      LEU  56  -2.581 -14.070  18.424
  354    H    ALA  57           HN       ALA  57  -1.480 -17.194  16.866
  355    HA   ALA  57           HA       ALA  57  -2.603 -18.619  15.496
  356    HB1  ALA  57           HB1      ALA  57  -2.989 -17.189  13.128
  357    HB2  ALA  57           HB2      ALA  57  -2.953 -15.977  14.408
  358    HB3  ALA  57           HB3      ALA  57  -4.097 -17.316  14.494
  359    H    ALA  58           HN       ALA  58   0.173 -18.893  15.463
  360    HA   ALA  58           HA       ALA  58   0.672 -19.669  12.663
  361    HB1  ALA  58           HB1      ALA  58   2.144 -17.879  14.085
  362    HB2  ALA  58           HB2      ALA  58   2.755 -18.833  12.733
  363    HB3  ALA  58           HB3      ALA  58   3.024 -19.376  14.390
  364    H    ALA  59           HN       ALA  59   1.865 -21.613  12.317
  365    HA   ALA  59           HA       ALA  59   2.269 -23.830  12.616
  366    HB1  ALA  59           HB1      ALA  59   3.943 -23.946  14.065
  367    HB2  ALA  59           HB2      ALA  59   2.772 -24.057  15.379
  368    HB3  ALA  59           HB3      ALA  59   3.385 -22.482  14.874
  369    H    LEU  60           HN       LEU  60   0.126 -24.462  12.191
  370    HA   LEU  60           HA       LEU  60  -1.888 -25.438  12.592
  371    HG   LEU  60           HG       LEU  60  -1.086 -27.466  12.215
  372    HB2  LEU  60           HB2      LEU  60  -0.136 -26.450  14.790
  373    HB3  LEU  60           HB1      LEU  60  -1.839 -26.868  14.797
  374   HD11  LEU  60          1HD1      LEU  60   1.304 -27.086  13.234
  375   HD12  LEU  60          2HD1      LEU  60   0.989 -28.425  12.130
  376   HD13  LEU  60          3HD1      LEU  60   1.051 -28.712  13.870
  377   HD21  LEU  60          3HD2      LEU  60  -0.981 -29.864  13.229
  378   HD22  LEU  60          1HD2      LEU  60  -2.491 -28.954  13.273
  379   HD23  LEU  60          2HD2      LEU  60  -1.479 -29.052  14.714
  380    H    GLU  61           HN       GLU  61  -2.724 -25.995  15.503
  381    HA   GLU  61           HA       GLU  61  -4.027 -25.044  17.098
  382    HB2  GLU  61           HB2      GLU  61  -2.450 -22.587  16.329
  383    HB3  GLU  61           HB1      GLU  61  -3.620 -22.610  17.639
  384    HG2  GLU  61           HG2      GLU  61  -2.064 -24.751  18.262
  385    HG3  GLU  61           HG1      GLU  61  -0.893 -23.657  17.526
  386    H    HIS  62           HN       HIS  62  -5.740 -23.278  17.432
  387    HA   HIS  62           HA       HIS  62  -7.368 -23.226  15.041
  388    HD1  HIS  62           HD1      HIS  62 -10.883 -23.627  17.309
  389    HD2  HIS  62           HD2      HIS  62  -7.275 -25.606  16.733
  390    HE1  HIS  62           HE1      HIS  62 -11.450 -26.077  17.324
  391    HE2  HIS  62           HE2      HIS  62  -9.261 -27.253  16.905
  392    HB2  HIS  62           HB2      HIS  62  -7.839 -22.560  17.932
  393    HB3  HIS  62           HB1      HIS  62  -9.000 -22.065  16.704
  394    H    HIS  63           HN       HIS  63  -8.769 -21.079  14.881
  395    HA   HIS  63           HA       HIS  63  -6.838 -18.861  14.710
  396    HD1  HIS  63           HD1      HIS  63  -8.197 -16.254  12.872
  397    HD2  HIS  63           HD2      HIS  63  -5.925 -19.347  11.282
  398    HE1  HIS  63           HE1      HIS  63  -6.475 -15.142  11.416
  399    HE2  HIS  63           HE2      HIS  63  -5.042 -17.027  10.556
  400    HB2  HIS  63           HB2      HIS  63  -8.216 -20.019  12.651
  401    HB3  HIS  63           HB1      HIS  63  -9.269 -18.670  13.066
  402    H    HIS  64           HN       HIS  64 -10.389 -19.229  14.749
  403    HA   HIS  64           HA       HIS  64 -10.559 -17.474  17.062
  404    HD1  HIS  64           HD1      HIS  64  -9.559 -15.582  17.226
  405    HD2  HIS  64           HD2      HIS  64 -13.114 -14.054  15.712
  406    HE1  HIS  64           HE1      HIS  64  -9.872 -13.360  18.360
  407    HE2  HIS  64           HE2      HIS  64 -12.069 -12.489  17.488
  408    HB2  HIS  64           HB2      HIS  64 -10.806 -16.389  14.512
  409    HB3  HIS  64           HB1      HIS  64 -12.470 -16.619  15.037
  410    H    HIS  65           HN       HIS  65 -12.898 -17.236  17.770
  411    HA   HIS  65           HA       HIS  65 -14.290 -19.789  17.307
  412    HD1  HIS  65           HD1      HIS  65 -14.057 -20.185  21.794
  413    HD2  HIS  65           HD2      HIS  65 -11.984 -20.427  18.201
  414    HE1  HIS  65           HE1      HIS  65 -12.185 -21.813  22.207
  415    HE2  HIS  65           HE2      HIS  65 -10.937 -21.938  20.022
  416    HB2  HIS  65           HB2      HIS  65 -14.155 -18.013  19.743
  417    HB3  HIS  65           HB1      HIS  65 -15.348 -19.296  19.572
  418    H    HIS  66           HN       HIS  66 -15.209 -18.683  15.400
  419    HA   HIS  66           HA       HIS  66 -16.903 -17.657  14.293
  420    HD1  HIS  66           HD1      HIS  66 -18.139 -18.135  13.060
  421    HD2  HIS  66           HD2      HIS  66 -20.384 -20.255  15.840
  422    HE1  HIS  66           HE1      HIS  66 -19.613 -19.661  11.710
  423    HE2  HIS  66           HE2      HIS  66 -21.020 -20.875  13.410
  424    HB2  HIS  66           HB2      HIS  66 -18.043 -18.818  16.676
  425    HB3  HIS  66           HB1      HIS  66 -18.928 -17.366  16.221
  426    H    HIS  67           HN       HIS  67 -18.192 -16.260  17.209
  427    HA   HIS  67           HA       HIS  67 -18.508 -14.102  17.850
  428    HD1  HIS  67           HD1      HIS  67 -17.613 -11.698  19.146
  429    HD2  HIS  67           HD2      HIS  67 -15.170 -14.960  19.959
  430    HE1  HIS  67           HE1      HIS  67 -17.266 -11.674  21.636
  431    HE2  HIS  67           HE2      HIS  67 -15.726 -13.614  22.097
  432    HB2  HIS  67           HB2      HIS  67 -15.675 -14.436  17.352
  433    HB3  HIS  67           HB1      HIS  67 -16.174 -12.774  17.053
  Start of MODEL    4
    1    H    VAL   1           HT1      VAL   1  19.200   1.163 -10.339
    2    HA   VAL   1           HA       VAL   1  17.355   0.095  -9.245
    3    HB   VAL   1           HB       VAL   1  17.818  -1.184  -7.140
    4   HG11  VAL   1          1HG1      VAL   1  17.626  -3.103  -8.286
    5   HG12  VAL   1          2HG1      VAL   1  19.128  -2.839  -9.171
    6   HG13  VAL   1          3HG1      VAL   1  17.638  -2.065  -9.711
    7   HG21  VAL   1          3HG2      VAL   1  20.310  -0.272  -7.253
    8   HG22  VAL   1          1HG2      VAL   1  20.557  -1.794  -8.109
    9   HG23  VAL   1          2HG2      VAL   1  19.906  -1.798  -6.468
   10    HA   PRO   2           HA       PRO   2  17.523   3.696  -6.684
   11    HB2  PRO   2           HB2      PRO   2  15.292   3.336  -5.186
   12    HB3  PRO   2           HB1      PRO   2  15.234   3.790  -6.893
   13    HG2  PRO   2           HG2      PRO   2  14.881   1.096  -5.637
   14    HG3  PRO   2           HG1      PRO   2  13.950   1.852  -6.942
   15    HD2  PRO   2           HD2      PRO   2  15.881   0.008  -7.403
   16    HD3  PRO   2           HD1      PRO   2  15.520   1.321  -8.541
   17    H    CYS   3           HN       CYS   3  16.317   3.644  -4.026
   18    HA   CYS   3           HA       CYS   3  16.855   3.296  -1.849
   19    HB2  CYS   3           HB2      CYS   3  16.680   0.841  -2.675
   20    HB3  CYS   3           HB1      CYS   3  18.438   0.854  -2.595
   21    H    ASP   4           HN       ASP   4  19.774   1.782  -3.173
   22    HA   ASP   4           HA       ASP   4  21.345   4.164  -2.544
   23    HB2  ASP   4           HB2      ASP   4  21.160   2.071  -0.715
   24    HB3  ASP   4           HB1      ASP   4  22.674   1.771  -1.572
   25    H    ASN   5           HN       ASN   5  20.566   2.023  -4.757
   26    HA   ASN   5           HA       ASN   5  21.517   1.245  -6.671
   27    HB2  ASN   5           HB2      ASN   5  23.476   3.360  -5.843
   28    HB3  ASN   5           HB1      ASN   5  23.877   2.292  -7.183
   29   HD21  ASN   5          1HD2      ASN   5  22.412   5.136  -6.314
   30   HD22  ASN   5          2HD2      ASN   5  21.489   5.418  -7.748
   31    H    VAL   6           HN       VAL   6  23.870   0.328  -7.421
   32    HA   VAL   6           HA       VAL   6  25.343  -1.385  -7.224
   33    HB   VAL   6           HB       VAL   6  25.429  -0.480  -4.341
   34   HG11  VAL   6          1HG1      VAL   6  26.173  -2.825  -4.613
   35   HG12  VAL   6          2HG1      VAL   6  27.474  -1.742  -4.116
   36   HG13  VAL   6          3HG1      VAL   6  27.367  -2.280  -5.792
   37   HG21  VAL   6          3HG2      VAL   6  26.735   0.392  -6.830
   38   HG22  VAL   6          1HG2      VAL   6  27.793   0.228  -5.428
   39   HG23  VAL   6          2HG2      VAL   6  26.387   1.290  -5.352
   40    H    SER   7           HN       SER   7  23.997  -1.742  -3.956
   41    HA   SER   7           HA       SER   7  22.808  -4.296  -4.813
   42    HG   SER   7           HG       SER   7  25.313  -4.238  -4.301
   43    HB2  SER   7           HB2      SER   7  24.086  -3.689  -2.135
   44    HB3  SER   7           HB1      SER   7  23.354  -5.221  -2.610
   45    H    SER   8           HN       SER   8  20.705  -3.705  -5.001
   46    HA   SER   8           HA       SER   8  19.301  -3.068  -2.543
   47    HG   SER   8           HG       SER   8  20.222  -0.951  -2.412
   48    HB2  SER   8           HB2      SER   8  19.101  -1.282  -4.982
   49    HB3  SER   8           HB1      SER   8  18.088  -1.161  -3.543
   50    H    CYS   9           HN       CYS   9  16.813  -2.664  -3.346
   51    HA   CYS   9           HA       CYS   9  16.093  -5.199  -4.539
   52    HB2  CYS   9           HB2      CYS   9  14.764  -3.128  -2.917
   53    HB3  CYS   9           HB1      CYS   9  13.727  -3.905  -4.107
   54    HA   PRO  10           HA       PRO  10  15.098  -3.559  -8.523
   55    HB2  PRO  10           HB2      PRO  10  13.020  -5.443  -9.054
   56    HB3  PRO  10           HB1      PRO  10  14.720  -5.557  -9.507
   57    HG2  PRO  10           HG2      PRO  10  13.446  -7.209  -7.685
   58    HG3  PRO  10           HG1      PRO  10  15.198  -6.966  -7.789
   59    HD2  PRO  10           HD2      PRO  10  13.218  -5.742  -5.912
   60    HD3  PRO  10           HD1      PRO  10  14.887  -6.273  -5.607
   61    H    SER  11           HN       SER  11  13.125  -3.064  -9.998
   62    HA   SER  11           HA       SER  11  11.490  -1.188  -8.605
   63    HG   SER  11           HG       SER  11   9.919  -0.870 -11.940
   64    HB2  SER  11           HB2      SER  11  12.130  -0.566 -10.799
   65    HB3  SER  11           HB1      SER  11  11.600  -2.105 -11.474
   66    H    SER  12           HN       SER  12  10.365  -2.530  -7.117
   67    HA   SER  12           HA       SER  12   7.771  -3.241  -7.928
   68    HG   SER  12           HG       SER  12   6.922  -5.354  -7.163
   69    HB2  SER  12           HB2      SER  12   8.727  -5.208  -8.933
   70    HB3  SER  12           HB1      SER  12   9.675  -5.550  -7.486
   71    H    ASP  13           HN       ASP  13  10.178  -4.452  -5.594
   72    HA   ASP  13           HA       ASP  13   8.260  -4.144  -3.431
   73    HB2  ASP  13           HB2      ASP  13  10.343  -5.038  -2.106
   74    HB3  ASP  13           HB1      ASP  13   9.413  -6.128  -3.129
   75    H    THR  14           HN       THR  14   9.593  -3.426  -1.273
   76    HA   THR  14           HA       THR  14  10.812  -0.819  -1.909
   77    HB   THR  14           HB       THR  14   8.774  -0.119  -1.068
   78    HG1  THR  14           HG1      THR  14  10.628   0.581   0.272
   79   HG21  THR  14          3HG2      THR  14   8.375  -2.665  -0.287
   80   HG22  THR  14          1HG2      THR  14   7.346  -1.324   0.219
   81   HG23  THR  14          2HG2      THR  14   8.627  -1.904   1.284
   82    H    CYS  15           HN       CYS  15  12.590  -0.225  -0.769
   83    HA   CYS  15           HA       CYS  15  13.758  -2.265   0.974
   84    HB2  CYS  15           HB2      CYS  15  15.858  -1.415   0.428
   85    HB3  CYS  15           HB1      CYS  15  14.954  -1.191  -1.066
   86    H    CYS  16           HN       CYS  16  14.773  -1.677   2.966
   87    HA   CYS  16           HA       CYS  16  13.973   0.895   4.111
   88    HG   CYS  16           HG       CYS  16  11.246   0.631   6.168
   89    HB2  CYS  16           HB2      CYS  16  12.348  -1.096   4.632
   90    HB3  CYS  16           HB1      CYS  16  13.610  -1.582   5.758
   91    H    GLN  17           HN       GLN  17  15.259   1.609   5.833
   92    HA   GLN  17           HA       GLN  17  17.945   0.582   5.802
   93    HB2  GLN  17           HB2      GLN  17  16.847   3.061   6.236
   94    HB3  GLN  17           HB1      GLN  17  17.296   2.566   7.862
   95    HG2  GLN  17           HG2      GLN  17  19.564   1.942   6.689
   96    HG3  GLN  17           HG1      GLN  17  19.013   3.127   5.505
   97   HE21  GLN  17          1HE2      GLN  17  17.851   5.042   6.927
   98   HE22  GLN  17          2HE2      GLN  17  18.955   5.759   8.046
   99    H    LEU  18           HN       LEU  18  19.112   0.350   7.977
  100    HA   LEU  18           HA       LEU  18  17.454  -1.346   9.721
  101    HG   LEU  18           HG       LEU  18  19.843  -3.956   8.813
  102    HB2  LEU  18           HB2      LEU  18  20.212  -1.578   8.689
  103    HB3  LEU  18           HB1      LEU  18  19.987  -2.045  10.363
  104   HD11  LEU  18          1HD1      LEU  18  17.098  -3.582   9.920
  105   HD12  LEU  18          2HD1      LEU  18  18.481  -3.657  11.011
  106   HD13  LEU  18          3HD1      LEU  18  18.134  -5.009   9.934
  107   HD21  LEU  18          3HD2      LEU  18  18.301  -4.146   7.120
  108   HD22  LEU  18          1HD2      LEU  18  18.679  -2.426   7.039
  109   HD23  LEU  18          2HD2      LEU  18  17.204  -2.966   7.839
  110    H    THR  19           HN       THR  19  18.862   1.633   9.592
  111    HA   THR  19           HA       THR  19  19.429   3.221  11.123
  112    HB   THR  19           HB       THR  19  18.083   1.700  13.314
  113    HG1  THR  19           HG1      THR  19  16.892   2.579  10.918
  114   HG21  THR  19          3HG2      THR  19  18.521   4.521  12.512
  115   HG22  THR  19          1HG2      THR  19  18.568   3.778  14.111
  116   HG23  THR  19          2HG2      THR  19  17.019   4.147  13.355
  117    H    SER  20           HN       SER  20  21.280   1.062  10.746
  118    HA   SER  20           HA       SER  20  22.820   1.389  13.188
  119    HG   SER  20           HG       SER  20  23.510  -1.696  11.633
  120    HB2  SER  20           HB2      SER  20  23.115  -0.882  13.685
  121    HB3  SER  20           HB1      SER  20  21.399  -0.783  13.291
  122    H    GLY  21           HN       GLY  21  22.558   0.496   9.835
  123    HA2  GLY  21           HA2      GLY  21  24.593   1.598   8.658
  124    HA3  GLY  21           HA1      GLY  21  25.483   0.395   9.579
  125    H    GLU  22           HN       GLU  22  22.757  -1.180   9.014
  126    HA   GLU  22           HA       GLU  22  23.783  -2.357   6.524
  127    HB2  GLU  22           HB2      GLU  22  22.318  -3.452   8.880
  128    HB3  GLU  22           HB1      GLU  22  22.059  -4.214   7.316
  129    HG2  GLU  22           HG2      GLU  22  24.855  -3.838   7.700
  130    HG3  GLU  22           HG1      GLU  22  24.179  -4.611   9.133
  131    H    TRP  23           HN       TRP  23  21.860  -3.535   5.308
  132    HA   TRP  23           HA       TRP  23  19.552  -1.728   5.152
  133    HD1  TRP  23           HD1      TRP  23  23.049  -0.507   3.567
  134    HE1  TRP  23           HE1      TRP  23  22.813   2.054   3.473
  135    HE3  TRP  23           HE3      TRP  23  17.991  -0.182   2.898
  136    HZ2  TRP  23           HZ2      TRP  23  20.755   3.960   3.157
  137    HZ3  TRP  23           HZ3      TRP  23  16.967   2.048   2.710
  138    HH2  TRP  23           HH2      TRP  23  18.323   4.076   2.837
  139    HB2  TRP  23           HB2      TRP  23  21.428  -2.490   2.934
  140    HB3  TRP  23           HB1      TRP  23  19.748  -2.097   2.582
  141    H    GLY  24           HN       GLY  24  17.618  -2.695   4.686
  142    HA2  GLY  24           HA2      GLY  24  17.629  -5.515   3.880
  143    HA3  GLY  24           HA1      GLY  24  16.858  -5.097   5.403
  144    H    CYS  25           HN       CYS  25  15.978  -6.070   2.592
  145    HA   CYS  25           HA       CYS  25  14.114  -3.996   1.809
  146    HB2  CYS  25           HB2      CYS  25  14.875  -6.688   0.745
  147    HB3  CYS  25           HB1      CYS  25  13.347  -5.971   0.245
  148    H    CYS  26           HN       CYS  26  11.937  -3.979   2.136
  149    HA   CYS  26           HA       CYS  26  10.652  -6.270   3.396
  150    HG   CYS  26           HG       CYS  26  11.780  -6.106   6.434
  151    HB2  CYS  26           HB2      CYS  26  11.510  -4.005   4.894
  152    HB3  CYS  26           HB1      CYS  26   9.751  -3.966   4.819
  153    HA   PRO  27           HA       PRO  27   7.910  -4.199   0.344
  154    HB2  PRO  27           HB2      PRO  27   7.041  -6.433  -0.868
  155    HB3  PRO  27           HB1      PRO  27   8.605  -5.709  -1.257
  156    HG2  PRO  27           HG2      PRO  27   7.988  -8.050   0.500
  157    HG3  PRO  27           HG1      PRO  27   9.292  -7.853  -0.684
  158    HD2  PRO  27           HD2      PRO  27   9.623  -7.520   2.014
  159    HD3  PRO  27           HD1      PRO  27  10.621  -6.710   0.791
  160    H    ILE  28           HN       ILE  28   5.789  -3.779   0.608
  161    HA   ILE  28           HA       ILE  28   4.192  -5.634   2.240
  162    HB   ILE  28           HB       ILE  28   2.996  -3.460   3.033
  163   HG12  ILE  28          2HG1      ILE  28   5.613  -2.133   3.048
  164   HG13  ILE  28          1HG1      ILE  28   4.905  -2.276   1.442
  165   HG21  ILE  28          1HG2      ILE  28   4.515  -3.329   4.972
  166   HG22  ILE  28          2HG2      ILE  28   5.686  -4.311   4.092
  167   HG23  ILE  28          3HG2      ILE  28   4.116  -4.988   4.526
  168   HD11  ILE  28          3HD1      ILE  28   2.778  -1.388   2.839
  169   HD12  ILE  28          1HD1      ILE  28   3.921  -0.341   1.996
  170   HD13  ILE  28          2HD1      ILE  28   4.096  -0.626   3.729
  171    HA   PRO  29           HA       PRO  29   2.095  -4.558  -1.806
  172    HB2  PRO  29           HB2      PRO  29   1.708  -7.455  -2.011
  173    HB3  PRO  29           HB1      PRO  29   2.451  -6.343  -3.162
  174    HG2  PRO  29           HG2      PRO  29   3.888  -8.161  -1.778
  175    HG3  PRO  29           HG1      PRO  29   4.547  -6.582  -2.246
  176    HD2  PRO  29           HD2      PRO  29   3.474  -7.479   0.405
  177    HD3  PRO  29           HD1      PRO  29   4.896  -6.478   0.045
  178    H    GLU  30           HN       GLU  30   0.678  -3.818   0.080
  179    HA   GLU  30           HA       GLU  30  -1.218  -5.374   1.342
  180    HB2  GLU  30           HB2      GLU  30  -1.643  -2.567   0.300
  181    HB3  GLU  30           HB1      GLU  30  -2.532  -3.342   1.605
  182    HG2  GLU  30           HG2      GLU  30   0.430  -2.848   1.697
  183    HG3  GLU  30           HG1      GLU  30  -0.767  -1.705   2.304
  184    H    ALA  31           HN       ALA  31  -3.407  -5.855   0.919
  185    HA   ALA  31           HA       ALA  31  -3.945  -6.777  -1.686
  186    HB1  ALA  31           HB1      ALA  31  -5.179  -6.921   0.893
  187    HB2  ALA  31           HB2      ALA  31  -5.381  -7.984  -0.500
  188    HB3  ALA  31           HB3      ALA  31  -6.397  -6.552  -0.328
  189    H    VAL  32           HN       VAL  32  -5.167  -5.986  -3.337
  190    HA   VAL  32           HA       VAL  32  -5.803  -3.135  -3.221
  191    HB   VAL  32           HB       VAL  32  -5.699  -5.026  -5.578
  192   HG11  VAL  32          1HG1      VAL  32  -5.527  -2.348  -6.417
  193   HG12  VAL  32          2HG1      VAL  32  -6.895  -2.437  -5.307
  194   HG13  VAL  32          3HG1      VAL  32  -6.833  -3.494  -6.718
  195   HG21  VAL  32          3HG2      VAL  32  -3.501  -4.629  -4.672
  196   HG22  VAL  32          1HG2      VAL  32  -3.790  -2.891  -4.633
  197   HG23  VAL  32          2HG2      VAL  32  -3.674  -3.730  -6.180
  198    H    CYS  33           HN       CYS  33  -7.828  -2.364  -3.191
  199    HA   CYS  33           HA       CYS  33 -10.051  -3.979  -4.121
  200    HG   CYS  33           HG       CYS  33 -11.117  -2.717   0.161
  201    HB2  CYS  33           HB2      CYS  33 -11.251  -4.061  -2.090
  202    HB3  CYS  33           HB1      CYS  33  -9.615  -4.557  -1.672
  203    H    CYS  34           HN       CYS  34 -12.132  -2.743  -3.998
  204    HA   CYS  34           HA       CYS  34 -11.615   0.132  -4.380
  205    HB2  CYS  34           HB2      CYS  34 -13.747  -0.017  -5.823
  206    HB3  CYS  34           HB1      CYS  34 -12.256  -0.678  -6.484
  207    H    SER  35           HN       SER  35 -13.015   1.622  -3.484
  208    HA   SER  35           HA       SER  35 -15.412   0.798  -2.122
  209    HG   SER  35           HG       SER  35 -12.208   1.616   0.169
  210    HB2  SER  35           HB2      SER  35 -14.287   2.041   0.017
  211    HB3  SER  35           HB1      SER  35 -14.324   0.290  -0.197
  212    H    ASP  36           HN       ASP  36 -13.221   3.170  -3.283
  213    HA   ASP  36           HA       ASP  36 -15.221   5.275  -2.777
  214    HB2  ASP  36           HB2      ASP  36 -12.216   5.391  -2.818
  215    HB3  ASP  36           HB1      ASP  36 -13.181   6.836  -3.107
  216    H    HIS  37           HN       HIS  37 -13.467   3.500  -5.102
  217    HA   HIS  37           HA       HIS  37 -14.607   5.168  -7.231
  218    HD1  HIS  37           HD1      HIS  37 -13.117   7.419  -8.330
  219    HD2  HIS  37           HD2      HIS  37 -10.692   5.823  -5.357
  220    HE1  HIS  37           HE1      HIS  37 -12.075   9.397  -7.180
  221    HE2  HIS  37           HE2      HIS  37 -10.576   8.407  -5.413
  222    HB2  HIS  37           HB2      HIS  37 -11.785   4.079  -7.173
  223    HB3  HIS  37           HB1      HIS  37 -12.541   4.832  -8.575
  224    H    GLN  38           HN       GLN  38 -16.207   3.747  -7.758
  225    HA   GLN  38           HA       GLN  38 -15.733   0.932  -8.040
  226    HB2  GLN  38           HB2      GLN  38 -18.070   0.984  -9.057
  227    HB3  GLN  38           HB1      GLN  38 -17.925   1.509  -7.386
  228    HG2  GLN  38           HG2      GLN  38 -18.336   3.710  -7.895
  229    HG3  GLN  38           HG1      GLN  38 -17.796   3.535  -9.564
  230   HE21  GLN  38          1HE2      GLN  38 -19.803   4.718  -9.982
  231   HE22  GLN  38          2HE2      GLN  38 -21.273   3.826 -10.140
  232    H    HIS  39           HN       HIS  39 -16.184  -0.245 -10.063
  233    HA   HIS  39           HA       HIS  39 -15.643  -0.755 -12.209
  234    HD1  HIS  39           HD1      HIS  39 -17.204  -1.615 -13.221
  235    HD2  HIS  39           HD2      HIS  39 -19.334   1.952 -13.159
  236    HE1  HIS  39           HE1      HIS  39 -19.611  -2.264 -13.552
  237    HE2  HIS  39           HE2      HIS  39 -20.873  -0.084 -13.583
  238    HB2  HIS  39           HB2      HIS  39 -16.682   2.048 -12.468
  239    HB3  HIS  39           HB1      HIS  39 -16.028   1.218 -13.875
  240    H    CYS  40           HN       CYS  40 -13.617   0.470 -10.360
  241    HA   CYS  40           HA       CYS  40 -11.550   0.835 -12.377
  242    HG   CYS  40           HG       CYS  40 -10.080   2.576 -13.142
  243    HB2  CYS  40           HB2      CYS  40 -12.655   3.045 -11.017
  244    HB3  CYS  40           HB1      CYS  40 -11.085   2.753 -10.280
  245    H    CYS  41           HN       CYS  41  -9.566   0.086 -11.747
  246    HA   CYS  41           HA       CYS  41  -8.866  -0.358  -9.016
  247    HB2  CYS  41           HB2      CYS  41 -10.486  -2.318 -10.055
  248    HB3  CYS  41           HB1      CYS  41  -8.878  -2.967 -10.356
  249    HA   PRO  42           HA       PRO  42  -4.970  -0.258 -11.172
  250    HB2  PRO  42           HB2      PRO  42  -3.337  -0.273  -9.063
  251    HB3  PRO  42           HB1      PRO  42  -4.385   1.114  -9.389
  252    HG2  PRO  42           HG2      PRO  42  -4.753  -1.117  -7.427
  253    HG3  PRO  42           HG1      PRO  42  -5.040   0.619  -7.213
  254    HD2  PRO  42           HD2      PRO  42  -7.009  -1.227  -7.771
  255    HD3  PRO  42           HD1      PRO  42  -7.126   0.504  -8.140
  256    H    GLN  43           HN       GLN  43  -2.686  -1.464 -10.559
  257    HA   GLN  43           HA       GLN  43  -1.541  -3.411 -10.816
  258    HB2  GLN  43           HB2      GLN  43  -3.600  -4.137  -8.756
  259    HB3  GLN  43           HB1      GLN  43  -2.445  -5.332  -9.327
  260    HG2  GLN  43           HG2      GLN  43  -1.750  -2.695  -8.052
  261    HG3  GLN  43           HG1      GLN  43  -1.722  -4.266  -7.253
  262   HE21  GLN  43          1HE2      GLN  43  -0.624  -5.784  -9.322
  263   HE22  GLN  43          2HE2      GLN  43   1.018  -5.296  -9.551
  264    H    GLY  44           HN       GLY  44  -4.389  -5.336 -10.244
  265    HA2  GLY  44           HA2      GLY  44  -5.196  -5.600 -12.962
  266    HA3  GLY  44           HA1      GLY  44  -4.132  -6.918 -12.495
  267    H    TYR  45           HN       TYR  45  -6.405  -5.322 -10.347
  268    HA   TYR  45           HA       TYR  45  -7.764  -7.888  -9.975
  269    HD1  TYR  45           HD2      TYR  45  -5.313  -5.350  -8.361
  270    HD2  TYR  45           HD1      TYR  45  -7.533  -8.644  -6.836
  271    HE1  TYR  45           HE2      TYR  45  -3.303  -6.159  -7.198
  272    HE2  TYR  45           HE1      TYR  45  -5.530  -9.461  -5.668
  273    HH   TYR  45           HH       TYR  45  -2.712  -8.948  -6.270
  274    HB2  TYR  45           HB2      TYR  45  -7.826  -5.367  -8.305
  275    HB3  TYR  45           HB1      TYR  45  -8.662  -6.865  -7.910
  276    H    THR  46           HN       THR  46 -10.189  -7.590  -9.346
  277    HA   THR  46           HA       THR  46 -11.482  -5.597 -11.065
  278    HB   THR  46           HB       THR  46 -12.858  -8.147 -11.206
  279    HG1  THR  46           HG1      THR  46 -11.149  -9.342 -11.573
  280   HG21  THR  46          3HG2      THR  46 -11.823  -7.051 -13.689
  281   HG22  THR  46          1HG2      THR  46 -12.615  -5.823 -12.702
  282   HG23  THR  46          2HG2      THR  46 -13.492  -7.280 -13.169
  283    H    CYS  47           HN       CYS  47 -13.460  -4.896 -10.373
  284    HA   CYS  47           HA       CYS  47 -14.241  -5.714  -7.681
  285    HB2  CYS  47           HB2      CYS  47 -15.249  -3.426  -9.388
  286    HB3  CYS  47           HB1      CYS  47 -15.657  -3.708  -7.700
  287    H    VAL  48           HN       VAL  48 -15.876  -7.073  -7.337
  288    HA   VAL  48           HA       VAL  48 -17.712  -7.638  -9.558
  289    HB   VAL  48           HB       VAL  48 -18.308  -9.613  -7.877
  290   HG11  VAL  48          1HG1      VAL  48 -15.928 -10.503  -9.096
  291   HG12  VAL  48          2HG1      VAL  48 -16.628  -9.286 -10.164
  292   HG13  VAL  48          3HG1      VAL  48 -17.584 -10.686  -9.676
  293   HG21  VAL  48          3HG2      VAL  48 -15.858  -8.460  -6.803
  294   HG22  VAL  48          1HG2      VAL  48 -15.708 -10.179  -7.169
  295   HG23  VAL  48          2HG2      VAL  48 -16.977  -9.616  -6.082
  296    H    ALA  49           HN       ALA  49 -19.390  -6.271  -9.407
  297    HA   ALA  49           HA       ALA  49 -21.222  -5.187  -8.607
  298    HB1  ALA  49           HB1      ALA  49 -22.465  -6.637  -6.789
  299    HB2  ALA  49           HB2      ALA  49 -21.301  -7.857  -7.304
  300    HB3  ALA  49           HB3      ALA  49 -22.402  -7.137  -8.479
  301    H    GLU  50           HN       GLU  50 -20.965  -6.637  -5.463
  302    HA   GLU  50           HA       GLU  50 -19.903  -4.117  -4.377
  303    HB2  GLU  50           HB2      GLU  50 -21.477  -4.552  -2.407
  304    HB3  GLU  50           HB1      GLU  50 -22.198  -3.954  -3.894
  305    HG2  GLU  50           HG2      GLU  50 -22.115  -6.857  -3.764
  306    HG3  GLU  50           HG1      GLU  50 -23.034  -6.131  -2.447
  307    H    GLY  51           HN       GLY  51 -18.032  -4.521  -3.418
  308    HA2  GLY  51           HA2      GLY  51 -17.602  -6.065  -1.210
  309    HA3  GLY  51           HA1      GLY  51 -17.306  -7.164  -2.548
  310    H    GLN  52           HN       GLN  52 -15.241  -7.333  -3.082
  311    HA   GLN  52           HA       GLN  52 -13.551  -4.931  -2.934
  312    HB2  GLN  52           HB2      GLN  52 -11.708  -6.228  -2.048
  313    HB3  GLN  52           HB1      GLN  52 -13.102  -6.393  -0.990
  314    HG2  GLN  52           HG2      GLN  52 -13.557  -8.584  -1.798
  315    HG3  GLN  52           HG1      GLN  52 -12.365  -8.416  -3.087
  316   HE21  GLN  52          1HE2      GLN  52 -10.630  -9.578  -2.707
  317   HE22  GLN  52          2HE2      GLN  52  -9.889  -9.841  -1.170
  318    H    CYS  53           HN       CYS  53 -11.312  -5.564  -4.027
  319    HA   CYS  53           HA       CYS  53 -12.014  -6.380  -6.735
  320    HB2  CYS  53           HB2      CYS  53 -10.283  -4.454  -5.639
  321    HB3  CYS  53           HB1      CYS  53  -9.238  -5.657  -6.388
  322    H    GLN  54           HN       GLN  54 -11.949  -8.501  -7.098
  323    HA   GLN  54           HA       GLN  54  -9.881 -10.125  -5.814
  324    HB2  GLN  54           HB2      GLN  54 -12.555 -10.667  -6.990
  325    HB3  GLN  54           HB1      GLN  54 -11.357 -11.949  -7.106
  326    HG2  GLN  54           HG2      GLN  54 -11.108 -11.257  -4.504
  327    HG3  GLN  54           HG1      GLN  54 -12.817 -10.927  -4.776
  328   HE21  GLN  54          1HE2      GLN  54 -12.954 -12.697  -3.155
  329   HE22  GLN  54          2HE2      GLN  54 -12.998 -14.320  -3.742
  330    H    LYS  55           HN       LYS  55  -8.724 -11.728  -7.086
  331    HA   LYS  55           HA       LYS  55  -8.132 -10.726  -9.788
  332    HB2  LYS  55           HB2      LYS  55  -6.460 -11.445  -7.583
  333    HB3  LYS  55           HB1      LYS  55  -6.135 -12.548  -8.913
  334    HG2  LYS  55           HG2      LYS  55  -6.301  -9.850  -9.882
  335    HG3  LYS  55           HG1      LYS  55  -5.141  -9.962  -8.556
  336    HD2  LYS  55           HD2      LYS  55  -3.970 -11.754  -9.693
  337    HD3  LYS  55           HD1      LYS  55  -5.171 -11.753 -10.985
  338    HE2  LYS  55           HE2      LYS  55  -3.130 -10.565 -11.639
  339    HE3  LYS  55           HE1      LYS  55  -4.531  -9.495 -11.609
  340    HZ1  LYS  55           HZ1      LYS  55  -3.126  -9.578  -9.109
  341    HZ2  LYS  55           HZ2      LYS  55  -3.611  -8.245 -10.030
  342    HZ3  LYS  55           HZ3      LYS  55  -2.156  -9.029 -10.382
  343    H    LEU  56           HN       LEU  56  -8.813 -11.918 -11.429
  344    HA   LEU  56           HA       LEU  56  -8.708 -14.821 -11.268
  345    HG   LEU  56           HG       LEU  56 -10.890 -12.156 -10.899
  346    HB2  LEU  56           HB2      LEU  56 -11.110 -14.643 -12.445
  347    HB3  LEU  56           HB1      LEU  56 -10.896 -14.888 -10.722
  348   HD11  LEU  56          1HD1      LEU  56 -11.923 -11.418 -12.715
  349   HD12  LEU  56          2HD1      LEU  56 -13.297 -12.477 -12.401
  350   HD13  LEU  56          3HD1      LEU  56 -11.933 -13.062 -13.353
  351   HD21  LEU  56          3HD2      LEU  56 -13.186 -12.317 -10.016
  352   HD22  LEU  56          1HD2      LEU  56 -12.083 -13.458  -9.248
  353   HD23  LEU  56          2HD2      LEU  56 -13.220 -14.020 -10.471
  354    H    ALA  57           HN       ALA  57  -9.411 -15.774 -13.465
  355    HA   ALA  57           HA       ALA  57  -8.275 -14.072 -15.585
  356    HB1  ALA  57           HB1      ALA  57  -7.605 -16.157 -16.700
  357    HB2  ALA  57           HB2      ALA  57  -8.265 -17.079 -15.350
  358    HB3  ALA  57           HB3      ALA  57  -6.890 -16.006 -15.095
  359    H    ALA  58           HN       ALA  58 -11.122 -15.331 -14.474
  360    HA   ALA  58           HA       ALA  58 -13.195 -15.660 -15.348
  361    HB1  ALA  58           HB1      ALA  58 -12.866 -14.257 -17.847
  362    HB2  ALA  58           HB2      ALA  58 -12.143 -13.359 -16.513
  363    HB3  ALA  58           HB3      ALA  58 -13.840 -13.833 -16.439
  364    H    ALA  59           HN       ALA  59 -12.284 -17.921 -15.659
  365    HA   ALA  59           HA       ALA  59 -11.805 -18.709 -18.406
  366    HB1  ALA  59           HB1      ALA  59 -11.531 -20.968 -17.473
  367    HB2  ALA  59           HB2      ALA  59 -12.001 -20.356 -15.887
  368    HB3  ALA  59           HB3      ALA  59 -10.520 -19.779 -16.650
  369    H    LEU  60           HN       LEU  60 -13.895 -20.347 -16.061
  370    HA   LEU  60           HA       LEU  60 -16.247 -19.941 -17.699
  371    HG   LEU  60           HG       LEU  60 -16.409 -23.017 -19.585
  372    HB2  LEU  60           HB2      LEU  60 -14.669 -22.124 -18.259
  373    HB3  LEU  60           HB1      LEU  60 -15.852 -22.788 -17.151
  374   HD11  LEU  60          1HD1      LEU  60 -18.351 -21.471 -17.880
  375   HD12  LEU  60          2HD1      LEU  60 -18.114 -23.218 -17.868
  376   HD13  LEU  60          3HD1      LEU  60 -18.763 -22.427 -19.304
  377   HD21  LEU  60          3HD2      LEU  60 -17.392 -20.246 -19.693
  378   HD22  LEU  60          1HD2      LEU  60 -16.714 -21.264 -20.964
  379   HD23  LEU  60          2HD2      LEU  60 -15.645 -20.443 -19.827
  380    H    GLU  61           HN       GLU  61 -14.916 -19.933 -14.840
  381    HA   GLU  61           HA       GLU  61 -16.803 -21.437 -13.277
  382    HB2  GLU  61           HB2      GLU  61 -14.344 -19.973 -12.806
  383    HB3  GLU  61           HB1      GLU  61 -15.554 -19.600 -11.585
  384    HG2  GLU  61           HG2      GLU  61 -14.708 -21.411 -10.572
  385    HG3  GLU  61           HG1      GLU  61 -15.782 -22.277 -11.667
  386    H    HIS  62           HN       HIS  62 -18.844 -20.669 -13.735
  387    HA   HIS  62           HA       HIS  62 -20.684 -19.345 -13.570
  388    HD1  HIS  62           HD1      HIS  62 -21.033 -16.560 -10.033
  389    HD2  HIS  62           HD2      HIS  62 -22.667 -19.556 -12.404
  390    HE1  HIS  62           HE1      HIS  62 -23.518 -16.414  -9.682
  391    HE2  HIS  62           HE2      HIS  62 -24.490 -18.213 -11.153
  392    HB2  HIS  62           HB2      HIS  62 -19.624 -19.331 -11.153
  393    HB3  HIS  62           HB1      HIS  62 -19.334 -17.634 -11.524
  394    H    HIS  63           HN       HIS  63 -20.525 -18.405 -15.618
  395    HA   HIS  63           HA       HIS  63 -18.948 -16.094 -16.142
  396    HD1  HIS  63           HD1      HIS  63 -21.028 -19.451 -18.322
  397    HD2  HIS  63           HD2      HIS  63 -23.183 -16.055 -17.280
  398    HE1  HIS  63           HE1      HIS  63 -23.445 -20.135 -18.414
  399    HE2  HIS  63           HE2      HIS  63 -24.733 -18.036 -17.881
  400    HB2  HIS  63           HB2      HIS  63 -20.343 -15.938 -18.226
  401    HB3  HIS  63           HB1      HIS  63 -19.555 -17.495 -17.993
  402    H    HIS  64           HN       HIS  64 -19.863 -13.977 -16.793
  403    HA   HIS  64           HA       HIS  64 -22.354 -13.301 -15.404
  404    HD1  HIS  64           HD1      HIS  64 -21.859  -9.580 -14.682
  405    HD2  HIS  64           HD2      HIS  64 -22.076 -12.872 -12.156
  406    HE1  HIS  64           HE1      HIS  64 -23.409  -8.900 -12.822
  407    HE2  HIS  64           HE2      HIS  64 -23.555 -10.920 -11.324
  408    HB2  HIS  64           HB2      HIS  64 -20.073 -12.803 -14.131
  409    HB3  HIS  64           HB1      HIS  64 -20.089 -11.378 -15.166
  410    H    HIS  65           HN       HIS  65 -23.008 -10.985 -15.924
  411    HA   HIS  65           HA       HIS  65 -22.695 -10.600 -18.810
  412    HD1  HIS  65           HD1      HIS  65 -23.648 -11.063 -20.245
  413    HD2  HIS  65           HD2      HIS  65 -27.067  -9.046 -19.017
  414    HE1  HIS  65           HE1      HIS  65 -25.166 -11.029 -22.250
  415    HE2  HIS  65           HE2      HIS  65 -27.263  -9.882 -21.456
  416    HB2  HIS  65           HB2      HIS  65 -24.924 -10.571 -17.155
  417    HB3  HIS  65           HB1      HIS  65 -24.623  -8.867 -17.477
  418    H    HIS  66           HN       HIS  66 -22.850  -8.213 -19.503
  419    HA   HIS  66           HA       HIS  66 -20.620  -6.842 -18.314
  420    HD1  HIS  66           HD1      HIS  66 -20.150  -4.557 -22.039
  421    HD2  HIS  66           HD2      HIS  66 -19.051  -7.808 -19.695
  422    HE1  HIS  66           HE1      HIS  66 -17.749  -5.025 -22.622
  423    HE2  HIS  66           HE2      HIS  66 -17.077  -6.928 -21.116
  424    HB2  HIS  66           HB2      HIS  66 -22.113  -6.714 -20.799
  425    HB3  HIS  66           HB1      HIS  66 -21.822  -5.105 -20.147
  426    H    HIS  67           HN       HIS  67 -23.781  -7.036 -17.458
  427    HA   HIS  67           HA       HIS  67 -23.793  -4.306 -16.346
  428    HD1  HIS  67           HD1      HIS  67 -27.472  -4.677 -19.115
  429    HD2  HIS  67           HD2      HIS  67 -24.068  -2.692 -17.794
  430    HE1  HIS  67           HE1      HIS  67 -27.155  -2.754 -20.705
  431    HE2  HIS  67           HE2      HIS  67 -25.133  -1.525 -19.842
  432    HB2  HIS  67           HB2      HIS  67 -26.021  -6.017 -17.405
  433    HB3  HIS  67           HB1      HIS  67 -26.355  -4.776 -16.203
  Start of MODEL    5
    1    H    VAL   1           HT1      VAL   1  19.959  -7.936  -6.118
    2    HA   VAL   1           HA       VAL   1  20.959  -5.527  -6.473
    3    HB   VAL   1           HB       VAL   1  18.598  -4.685  -5.749
    4   HG11  VAL   1          1HG1      VAL   1  19.522  -5.394  -8.064
    5   HG12  VAL   1          2HG1      VAL   1  17.778  -5.248  -7.840
    6   HG13  VAL   1          3HG1      VAL   1  18.539  -6.839  -7.824
    7   HG21  VAL   1          3HG2      VAL   1  18.316  -6.788  -4.299
    8   HG22  VAL   1          1HG2      VAL   1  17.967  -7.616  -5.817
    9   HG23  VAL   1          2HG2      VAL   1  16.952  -6.274  -5.291
   10    HA   PRO   2           HA       PRO   2  21.923  -4.717  -1.986
   11    HB2  PRO   2           HB2      PRO   2  24.439  -3.646  -3.024
   12    HB3  PRO   2           HB1      PRO   2  24.178  -4.919  -1.831
   13    HG2  PRO   2           HG2      PRO   2  25.149  -5.430  -4.300
   14    HG3  PRO   2           HG1      PRO   2  24.130  -6.584  -3.419
   15    HD2  PRO   2           HD2      PRO   2  23.378  -4.683  -5.614
   16    HD3  PRO   2           HD1      PRO   2  22.892  -6.376  -5.375
   17    H    CYS   3           HN       CYS   3  20.169  -3.114  -2.597
   18    HA   CYS   3           HA       CYS   3  20.739  -0.628  -3.746
   19    HB2  CYS   3           HB2      CYS   3  18.533  -0.397  -3.474
   20    HB3  CYS   3           HB1      CYS   3  18.512  -1.885  -2.536
   21    H    ASP   4           HN       ASP   4  21.857   1.075  -3.054
   22    HA   ASP   4           HA       ASP   4  21.994   1.822  -0.294
   23    HB2  ASP   4           HB2      ASP   4  23.928  -0.026  -1.203
   24    HB3  ASP   4           HB1      ASP   4  24.748   1.527  -1.069
   25    H    ASN   5           HN       ASN   5  23.753   2.135  -3.385
   26    HA   ASN   5           HA       ASN   5  23.285   5.015  -3.298
   27    HB2  ASN   5           HB2      ASN   5  25.798   3.834  -2.654
   28    HB3  ASN   5           HB1      ASN   5  25.965   4.654  -4.204
   29   HD21  ASN   5          1HD2      ASN   5  27.423   5.630  -2.245
   30   HD22  ASN   5          2HD2      ASN   5  26.777   7.112  -1.634
   31    H    VAL   6           HN       VAL   6  24.730   2.330  -5.134
   32    HA   VAL   6           HA       VAL   6  23.734   3.613  -7.593
   33    HB   VAL   6           HB       VAL   6  26.250   3.393  -7.346
   34   HG11  VAL   6          1HG1      VAL   6  27.117   1.105  -8.015
   35   HG12  VAL   6          2HG1      VAL   6  25.525   0.486  -7.575
   36   HG13  VAL   6          3HG1      VAL   6  26.531   1.276  -6.360
   37   HG21  VAL   6          3HG2      VAL   6  26.486   3.277  -9.604
   38   HG22  VAL   6          1HG2      VAL   6  24.732   3.433  -9.526
   39   HG23  VAL   6          2HG2      VAL   6  25.467   1.845  -9.751
   40    H    SER   7           HN       SER   7  22.480   1.616  -5.679
   41    HA   SER   7           HA       SER   7  21.597  -0.240  -7.762
   42    HG   SER   7           HG       SER   7  22.737  -2.105  -7.784
   43    HB2  SER   7           HB2      SER   7  22.903  -0.980  -5.188
   44    HB3  SER   7           HB1      SER   7  21.555  -1.975  -5.738
   45    H    SER   8           HN       SER   8  19.591  -1.439  -7.070
   46    HA   SER   8           HA       SER   8  18.035  -0.267  -4.948
   47    HG   SER   8           HG       SER   8  17.446  -0.429  -8.518
   48    HB2  SER   8           HB2      SER   8  16.165   0.261  -6.726
   49    HB3  SER   8           HB1      SER   8  17.426   1.446  -6.384
   50    H    CYS   9           HN       CYS   9  15.875  -1.268  -4.775
   51    HA   CYS   9           HA       CYS   9  16.053  -4.095  -5.377
   52    HB2  CYS   9           HB2      CYS   9  14.846  -2.505  -3.353
   53    HB3  CYS   9           HB1      CYS   9  13.557  -3.389  -4.162
   54    HA   PRO  10           HA       PRO  10  13.195  -4.011  -8.755
   55    HB2  PRO  10           HB2      PRO  10  12.088  -6.438  -8.681
   56    HB3  PRO  10           HB1      PRO  10  13.821  -6.235  -8.969
   57    HG2  PRO  10           HG2      PRO  10  12.394  -7.004  -6.457
   58    HG3  PRO  10           HG1      PRO  10  13.898  -7.653  -7.134
   59    HD2  PRO  10           HD2      PRO  10  13.764  -5.763  -5.120
   60    HD3  PRO  10           HD1      PRO  10  15.165  -6.013  -6.180
   61    H    SER  11           HN       SER  11  10.862  -4.480  -9.394
   62    HA   SER  11           HA       SER  11   9.128  -2.957  -7.812
   63    HG   SER  11           HG       SER  11   7.101  -2.824  -8.608
   64    HB2  SER  11           HB2      SER  11   9.051  -3.713 -10.363
   65    HB3  SER  11           HB1      SER  11   7.975  -4.946  -9.709
   66    H    SER  12           HN       SER  12   6.897  -3.802  -7.154
   67    HA   SER  12           HA       SER  12   5.607  -5.033  -5.751
   68    HG   SER  12           HG       SER  12   5.768  -6.077  -8.076
   69    HB2  SER  12           HB2      SER  12   7.337  -7.447  -6.205
   70    HB3  SER  12           HB1      SER  12   5.593  -7.360  -5.952
   71    H    ASP  13           HN       ASP  13   8.644  -4.167  -5.135
   72    HA   ASP  13           HA       ASP  13   8.447  -4.981  -2.331
   73    HB2  ASP  13           HB2      ASP  13  10.959  -5.254  -3.999
   74    HB3  ASP  13           HB1      ASP  13  10.868  -5.486  -2.256
   75    H    THR  14           HN       THR  14  10.569  -3.832  -1.232
   76    HA   THR  14           HA       THR  14  11.087  -1.204  -2.284
   77    HB   THR  14           HB       THR  14   8.958  -0.662  -1.349
   78    HG1  THR  14           HG1      THR  14  11.140   0.088   0.310
   79   HG21  THR  14          3HG2      THR  14   9.759  -1.670   1.357
   80   HG22  THR  14          1HG2      THR  14   9.022  -2.757   0.180
   81   HG23  THR  14          2HG2      THR  14   8.148  -1.326   0.727
   82    H    CYS  15           HN       CYS  15  12.964  -0.400  -1.514
   83    HA   CYS  15           HA       CYS  15  14.434  -2.041   0.385
   84    HB2  CYS  15           HB2      CYS  15  15.353  -1.117  -1.847
   85    HB3  CYS  15           HB1      CYS  15  15.504   0.412  -0.991
   86    H    CYS  16           HN       CYS  16  14.069  -1.620   2.461
   87    HA   CYS  16           HA       CYS  16  13.826   1.188   3.306
   88    HG   CYS  16           HG       CYS  16  13.186  -1.558   6.622
   89    HB2  CYS  16           HB2      CYS  16  11.946   0.356   4.248
   90    HB3  CYS  16           HB1      CYS  16  12.516  -1.305   4.151
   91    H    GLN  17           HN       GLN  17  15.066   1.979   4.985
   92    HA   GLN  17           HA       GLN  17  17.486   0.438   5.553
   93    HB2  GLN  17           HB2      GLN  17  17.679   2.764   4.677
   94    HB3  GLN  17           HB1      GLN  17  16.894   3.346   6.138
   95    HG2  GLN  17           HG2      GLN  17  18.778   2.227   7.416
   96    HG3  GLN  17           HG1      GLN  17  19.589   2.058   5.861
   97   HE21  GLN  17          1HE2      GLN  17  18.955   4.088   8.482
   98   HE22  GLN  17          2HE2      GLN  17  19.664   5.533   7.854
   99    H    LEU  18           HN       LEU  18  18.360   0.426   7.740
  100    HA   LEU  18           HA       LEU  18  16.210   0.170   9.710
  101    HG   LEU  18           HG       LEU  18  16.741  -1.999   8.517
  102    HB2  LEU  18           HB2      LEU  18  19.027  -0.910   9.668
  103    HB3  LEU  18           HB1      LEU  18  17.925  -1.106  11.018
  104   HD11  LEU  18          1HD1      LEU  18  18.129  -3.977   8.223
  105   HD12  LEU  18          2HD1      LEU  18  19.242  -3.394   9.459
  106   HD13  LEU  18          3HD1      LEU  18  19.062  -2.506   7.947
  107   HD21  LEU  18          3HD2      LEU  18  15.603  -2.912  10.223
  108   HD22  LEU  18          1HD2      LEU  18  16.973  -2.807  11.328
  109   HD23  LEU  18          2HD2      LEU  18  16.865  -4.142  10.180
  110    H    THR  19           HN       THR  19  19.095   0.313  11.340
  111    HA   THR  19           HA       THR  19  19.189   3.208  11.596
  112    HB   THR  19           HB       THR  19  18.778   1.565  14.088
  113    HG1  THR  19           HG1      THR  19  16.862   1.414  12.888
  114   HG21  THR  19          3HG2      THR  19  19.792   4.024  13.871
  115   HG22  THR  19          1HG2      THR  19  18.759   3.545  15.218
  116   HG23  THR  19          2HG2      THR  19  18.078   4.439  13.859
  117    H    SER  20           HN       SER  20  20.443   0.039  12.356
  118    HA   SER  20           HA       SER  20  22.792   0.865  13.701
  119    HG   SER  20           HG       SER  20  21.171  -2.518  13.216
  120    HB2  SER  20           HB2      SER  20  23.410  -1.562  12.493
  121    HB3  SER  20           HB1      SER  20  22.706  -1.348  14.096
  122    H    GLY  21           HN       GLY  21  21.920   0.607  10.346
  123    HA2  GLY  21           HA2      GLY  21  23.326   2.137   8.928
  124    HA3  GLY  21           HA1      GLY  21  24.700   1.268   9.594
  125    H    GLU  22           HN       GLU  22  21.832  -0.519   8.908
  126    HA   GLU  22           HA       GLU  22  23.097  -1.596   6.475
  127    HB2  GLU  22           HB2      GLU  22  22.572  -2.949   8.847
  128    HB3  GLU  22           HB1      GLU  22  21.252  -3.423   7.788
  129    HG2  GLU  22           HG2      GLU  22  23.070  -4.997   7.617
  130    HG3  GLU  22           HG1      GLU  22  22.874  -4.129   6.094
  131    H    TRP  23           HN       TRP  23  21.464  -2.781   5.061
  132    HA   TRP  23           HA       TRP  23  18.970  -1.211   4.952
  133    HD1  TRP  23           HD1      TRP  23  22.432  -0.187   3.347
  134    HE1  TRP  23           HE1      TRP  23  22.258   2.342   2.895
  135    HE3  TRP  23           HE3      TRP  23  17.434   0.113   2.306
  136    HZ2  TRP  23           HZ2      TRP  23  20.267   4.214   2.190
  137    HZ3  TRP  23           HZ3      TRP  23  16.473   2.310   1.753
  138    HH2  TRP  23           HH2      TRP  23  17.862   4.318   1.697
  139    HB2  TRP  23           HB2      TRP  23  20.777  -2.215   2.765
  140    HB3  TRP  23           HB1      TRP  23  19.091  -1.820   2.443
  141    H    GLY  24           HN       GLY  24  17.178  -2.349   3.754
  142    HA2  GLY  24           HA2      GLY  24  17.229  -5.207   3.600
  143    HA3  GLY  24           HA1      GLY  24  16.387  -4.647   5.036
  144    H    CYS  25           HN       CYS  25  15.877  -5.725   2.036
  145    HA   CYS  25           HA       CYS  25  13.745  -3.889   1.296
  146    HB2  CYS  25           HB2      CYS  25  15.031  -6.266  -0.010
  147    HB3  CYS  25           HB1      CYS  25  13.477  -5.675  -0.586
  148    H    CYS  26           HN       CYS  26  11.555  -4.498   1.107
  149    HA   CYS  26           HA       CYS  26  10.762  -7.063   2.244
  150    HG   CYS  26           HG       CYS  26   9.019  -3.452   4.645
  151    HB2  CYS  26           HB2      CYS  26   9.297  -6.105   3.899
  152    HB3  CYS  26           HB1      CYS  26  10.918  -5.465   4.149
  153    HA   PRO  27           HA       PRO  27   7.725  -6.579  -0.962
  154    HB2  PRO  27           HB2      PRO  27   6.263  -8.781  -0.483
  155    HB3  PRO  27           HB1      PRO  27   7.901  -8.879  -1.139
  156    HG2  PRO  27           HG2      PRO  27   6.959  -9.280   1.673
  157    HG3  PRO  27           HG1      PRO  27   8.138 -10.223   0.744
  158    HD2  PRO  27           HD2      PRO  27   8.829  -8.314   2.577
  159    HD3  PRO  27           HD1      PRO  27   9.843  -8.758   1.191
  160    H    ILE  28           HN       ILE  28   5.398  -6.321  -1.231
  161    HA   ILE  28           HA       ILE  28   3.441  -5.289  -0.694
  162    HB   ILE  28           HB       ILE  28   3.652  -6.734   1.945
  163   HG12  ILE  28          2HG1      ILE  28   4.109  -8.293   0.086
  164   HG13  ILE  28          1HG1      ILE  28   2.572  -8.644   0.867
  165   HG21  ILE  28          1HG2      ILE  28   1.690  -5.728   2.270
  166   HG22  ILE  28          2HG2      ILE  28   1.044  -6.815   1.042
  167   HG23  ILE  28          3HG2      ILE  28   1.593  -5.200   0.590
  168   HD11  ILE  28          3HD1      ILE  28   1.342  -7.941  -0.948
  169   HD12  ILE  28          1HD1      ILE  28   2.751  -8.670  -1.717
  170   HD13  ILE  28          2HD1      ILE  28   2.640  -6.917  -1.564
  171    HA   PRO  29           HA       PRO  29   5.711  -2.108   1.882
  172    HB2  PRO  29           HB2      PRO  29   4.799  -0.339  -0.293
  173    HB3  PRO  29           HB1      PRO  29   6.415  -0.533   0.393
  174    HG2  PRO  29           HG2      PRO  29   5.816  -1.447  -2.055
  175    HG3  PRO  29           HG1      PRO  29   6.928  -2.320  -0.985
  176    HD2  PRO  29           HD2      PRO  29   4.045  -2.875  -1.581
  177    HD3  PRO  29           HD1      PRO  29   5.401  -4.012  -1.429
  178    H    GLU  30           HN       GLU  30   4.666   0.386   1.995
  179    HA   GLU  30           HA       GLU  30   2.319   0.027   3.522
  180    HB2  GLU  30           HB2      GLU  30   3.607   2.525   2.415
  181    HB3  GLU  30           HB1      GLU  30   2.238   2.540   3.518
  182    HG2  GLU  30           HG2      GLU  30   3.677   1.214   5.115
  183    HG3  GLU  30           HG1      GLU  30   5.031   1.579   4.046
  184    H    ALA  31           HN       ALA  31   0.516  -0.691   2.547
  185    HA   ALA  31           HA       ALA  31  -0.726   1.041   0.567
  186    HB1  ALA  31           HB1      ALA  31   0.659  -1.097  -0.375
  187    HB2  ALA  31           HB2      ALA  31  -0.723  -0.361  -1.187
  188    HB3  ALA  31           HB3      ALA  31  -0.951  -1.789  -0.177
  189    H    VAL  32           HN       VAL  32  -2.136   1.496   2.302
  190    HA   VAL  32           HA       VAL  32  -3.804   1.109   3.851
  191    HB   VAL  32           HB       VAL  32  -5.893   0.288   2.711
  192   HG11  VAL  32          1HG1      VAL  32  -5.787   2.558   2.630
  193   HG12  VAL  32          2HG1      VAL  32  -5.682   2.215   0.904
  194   HG13  VAL  32          3HG1      VAL  32  -4.219   2.570   1.823
  195   HG21  VAL  32          3HG2      VAL  32  -4.025   0.060   0.353
  196   HG22  VAL  32          1HG2      VAL  32  -5.786   0.038   0.249
  197   HG23  VAL  32          2HG2      VAL  32  -4.937  -1.245   1.112
  198    H    CYS  33           HN       CYS  33  -2.032  -0.786   4.469
  199    HA   CYS  33           HA       CYS  33  -3.738  -3.110   5.031
  200    HG   CYS  33           HG       CYS  33   0.256  -2.367   4.903
  201    HB2  CYS  33           HB2      CYS  33  -1.680  -4.556   4.784
  202    HB3  CYS  33           HB1      CYS  33  -2.325  -3.902   3.283
  203    H    CYS  34           HN       CYS  34  -3.521  -3.996   7.048
  204    HA   CYS  34           HA       CYS  34  -1.389  -3.056   8.800
  205    HB2  CYS  34           HB2      CYS  34  -2.935  -2.340  10.549
  206    HB3  CYS  34           HB1      CYS  34  -3.196  -1.407   9.080
  207    H    SER  35           HN       SER  35  -1.499  -4.177  10.962
  208    HA   SER  35           HA       SER  35  -1.435  -6.103  12.163
  209    HG   SER  35           HG       SER  35  -4.160  -4.783  11.474
  210    HB2  SER  35           HB2      SER  35  -3.940  -6.942  10.702
  211    HB3  SER  35           HB1      SER  35  -3.429  -7.389  12.329
  212    H    ASP  36           HN       ASP  36  -1.618  -8.633  11.892
  213    HA   ASP  36           HA       ASP  36  -1.149  -9.753   9.338
  214    HB2  ASP  36           HB2      ASP  36   1.115  -8.495  10.566
  215    HB3  ASP  36           HB1      ASP  36   1.382 -10.236  10.526
  216    H    HIS  37           HN       HIS  37  -2.762 -11.076  10.420
  217    HA   HIS  37           HA       HIS  37  -1.662 -12.886  12.454
  218    HD1  HIS  37           HD1      HIS  37  -4.338 -15.012  13.695
  219    HD2  HIS  37           HD2      HIS  37  -3.175 -11.230  14.963
  220    HE1  HIS  37           HE1      HIS  37  -4.156 -15.170  16.198
  221    HE2  HIS  37           HE2      HIS  37  -3.535 -12.847  16.950
  222    HB2  HIS  37           HB2      HIS  37  -4.108 -11.571  12.317
  223    HB3  HIS  37           HB1      HIS  37  -4.492 -13.231  11.869
  224    H    GLN  38           HN       GLN  38  -4.244 -13.453  10.092
  225    HA   GLN  38           HA       GLN  38  -2.655 -15.362   8.618
  226    HB2  GLN  38           HB2      GLN  38  -4.702 -17.047   9.140
  227    HB3  GLN  38           HB1      GLN  38  -3.180 -17.060  10.022
  228    HG2  GLN  38           HG2      GLN  38  -4.099 -15.899  11.842
  229    HG3  GLN  38           HG1      GLN  38  -5.522 -15.416  10.921
  230   HE21  GLN  38          1HE2      GLN  38  -6.771 -17.373  10.030
  231   HE22  GLN  38          2HE2      GLN  38  -7.057 -18.648  11.159
  232    H    HIS  39           HN       HIS  39  -3.134 -14.295   6.748
  233    HA   HIS  39           HA       HIS  39  -4.312 -13.595   4.933
  234    HD1  HIS  39           HD1      HIS  39  -6.222 -15.714   2.383
  235    HD2  HIS  39           HD2      HIS  39  -2.889 -16.499   4.735
  236    HE1  HIS  39           HE1      HIS  39  -4.546 -16.779   0.840
  237    HE2  HIS  39           HE2      HIS  39  -2.561 -17.305   2.299
  238    HB2  HIS  39           HB2      HIS  39  -5.692 -16.048   5.859
  239    HB3  HIS  39           HB1      HIS  39  -6.584 -15.041   4.723
  240    H    CYS  40           HN       CYS  40  -4.650 -11.585   6.185
  241    HA   CYS  40           HA       CYS  40  -7.410 -11.206   7.093
  242    HG   CYS  40           HG       CYS  40  -3.673 -10.613   6.771
  243    HB2  CYS  40           HB2      CYS  40  -6.182  -8.848   7.649
  244    HB3  CYS  40           HB1      CYS  40  -6.247 -10.212   8.758
  245    H    CYS  41           HN       CYS  41  -7.248  -8.313   6.713
  246    HA   CYS  41           HA       CYS  41  -8.550  -8.066   4.267
  247    HB2  CYS  41           HB2      CYS  41  -7.172  -5.623   5.099
  248    HB3  CYS  41           HB1      CYS  41  -8.894  -5.937   4.913
  249    HA   PRO  42           HA       PRO  42  -5.173  -7.907   1.401
  250    HB2  PRO  42           HB2      PRO  42  -6.480  -7.095  -0.789
  251    HB3  PRO  42           HB1      PRO  42  -6.779  -8.686  -0.077
  252    HG2  PRO  42           HG2      PRO  42  -8.394  -6.180   0.134
  253    HG3  PRO  42           HG1      PRO  42  -8.942  -7.853  -0.061
  254    HD2  PRO  42           HD2      PRO  42  -8.875  -6.484   2.340
  255    HD3  PRO  42           HD1      PRO  42  -8.876  -8.251   2.184
  256    H    GLN  43           HN       GLN  43  -5.321  -6.005  -0.811
  257    HA   GLN  43           HA       GLN  43  -4.212  -3.693   0.578
  258    HB2  GLN  43           HB2      GLN  43  -3.533  -3.062  -1.819
  259    HB3  GLN  43           HB1      GLN  43  -2.742  -4.448  -1.080
  260    HG2  GLN  43           HG2      GLN  43  -4.435  -5.893  -2.257
  261    HG3  GLN  43           HG1      GLN  43  -4.919  -4.451  -3.148
  262   HE21  GLN  43          1HE2      GLN  43  -4.123  -6.424  -4.663
  263   HE22  GLN  43          2HE2      GLN  43  -2.527  -6.182  -5.277
  264    H    GLY  44           HN       GLY  44  -6.659  -3.361   1.145
  265    HA2  GLY  44           HA2      GLY  44  -7.503  -1.008  -0.098
  266    HA3  GLY  44           HA1      GLY  44  -8.405  -2.330  -0.823
  267    H    TYR  45           HN       TYR  45  -7.345  -1.676   2.513
  268    HA   TYR  45           HA       TYR  45 -10.043  -1.206   3.404
  269    HD1  TYR  45           HD2      TYR  45 -11.900  -1.885   4.106
  270    HD2  TYR  45           HD1      TYR  45 -10.077  -5.534   2.898
  271    HE1  TYR  45           HE2      TYR  45 -14.066  -2.679   3.257
  272    HE2  TYR  45           HE1      TYR  45 -12.240  -6.338   2.046
  273    HH   TYR  45           HH       TYR  45 -14.600  -5.934   2.341
  274    HB2  TYR  45           HB2      TYR  45  -8.741  -3.849   3.748
  275    HB3  TYR  45           HB1      TYR  45  -9.542  -3.190   5.169
  276    H    THR  46           HN       THR  46 -10.127  -0.686   5.726
  277    HA   THR  46           HA       THR  46  -7.502   0.007   6.862
  278    HB   THR  46           HB       THR  46  -9.841   1.886   7.076
  279    HG1  THR  46           HG1      THR  46  -8.148   1.457   4.930
  280   HG21  THR  46          3HG2      THR  46  -6.906   2.521   7.221
  281   HG22  THR  46          1HG2      THR  46  -7.804   1.957   8.630
  282   HG23  THR  46          2HG2      THR  46  -8.269   3.459   7.832
  283    H    CYS  47           HN       CYS  47  -7.278  -0.478   8.959
  284    HA   CYS  47           HA       CYS  47  -9.563  -1.608  10.363
  285    HB2  CYS  47           HB2      CYS  47  -7.746  -2.129  12.109
  286    HB3  CYS  47           HB1      CYS  47  -7.668  -2.979  10.570
  287    H    VAL  48           HN       VAL  48 -10.305  -0.898  12.366
  288    HA   VAL  48           HA       VAL  48  -9.181   1.402  13.664
  289    HB   VAL  48           HB       VAL  48 -10.374   2.518  11.836
  290   HG11  VAL  48          1HG1      VAL  48 -13.044   2.307  12.347
  291   HG12  VAL  48          2HG1      VAL  48 -12.491   0.653  12.609
  292   HG13  VAL  48          3HG1      VAL  48 -12.186   1.450  11.067
  293   HG21  VAL  48          3HG2      VAL  48 -11.882   2.934  14.409
  294   HG22  VAL  48          1HG2      VAL  48 -11.543   4.118  13.147
  295   HG23  VAL  48          2HG2      VAL  48 -10.231   3.498  14.149
  296    H    ALA  49           HN       ALA  49  -9.916   1.644  15.748
  297    HA   ALA  49           HA       ALA  49 -10.830   1.044  17.738
  298    HB1  ALA  49           HB1      ALA  49 -13.280  -0.025  17.350
  299    HB2  ALA  49           HB2      ALA  49 -13.053   0.829  15.822
  300    HB3  ALA  49           HB3      ALA  49 -12.946   1.707  17.348
  301    H    GLU  50           HN       GLU  50 -12.578  -1.496  16.041
  302    HA   GLU  50           HA       GLU  50 -11.358  -3.487  17.744
  303    HB2  GLU  50           HB2      GLU  50 -13.731  -3.292  16.049
  304    HB3  GLU  50           HB1      GLU  50 -12.921  -4.847  15.911
  305    HG2  GLU  50           HG2      GLU  50 -12.950  -4.481  18.608
  306    HG3  GLU  50           HG1      GLU  50 -14.461  -3.714  18.120
  307    H    GLY  51           HN       GLY  51 -11.365  -5.711  16.041
  308    HA2  GLY  51           HA2      GLY  51  -8.885  -5.201  14.583
  309    HA3  GLY  51           HA1      GLY  51  -9.529  -6.777  15.016
  310    H    GLN  52           HN       GLN  52 -11.745  -4.563  13.614
  311    HA   GLN  52           HA       GLN  52 -11.839  -6.208  11.204
  312    HB2  GLN  52           HB2      GLN  52 -13.733  -4.004  12.028
  313    HB3  GLN  52           HB1      GLN  52 -14.001  -5.234  10.799
  314    HG2  GLN  52           HG2      GLN  52 -13.711  -5.753  13.750
  315    HG3  GLN  52           HG1      GLN  52 -15.234  -5.686  12.866
  316   HE21  GLN  52          1HE2      GLN  52 -12.430  -7.544  13.602
  317   HE22  GLN  52          2HE2      GLN  52 -12.921  -9.000  12.812
  318    H    CYS  53           HN       CYS  53 -12.269  -5.061   9.108
  319    HA   CYS  53           HA       CYS  53 -10.911  -2.466   8.925
  320    HB2  CYS  53           HB2      CYS  53  -9.889  -3.487   6.730
  321    HB3  CYS  53           HB1      CYS  53  -9.109  -3.759   8.285
  322    H    GLN  54           HN       GLN  54 -12.119  -1.078   7.841
  323    HA   GLN  54           HA       GLN  54 -13.948  -2.105   5.771
  324    HB2  GLN  54           HB2      GLN  54 -14.592  -0.721   8.157
  325    HB3  GLN  54           HB1      GLN  54 -14.859   0.401   6.829
  326    HG2  GLN  54           HG2      GLN  54 -16.905  -0.713   7.213
  327    HG3  GLN  54           HG1      GLN  54 -16.234  -1.379   5.725
  328   HE21  GLN  54          1HE2      GLN  54 -15.909  -3.510   5.584
  329   HE22  GLN  54          2HE2      GLN  54 -16.118  -4.633   6.881
  330    H    LYS  55           HN       LYS  55 -14.628  -0.338   4.217
  331    HA   LYS  55           HA       LYS  55 -12.262   1.270   3.524
  332    HB2  LYS  55           HB2      LYS  55 -14.031  -0.426   1.975
  333    HB3  LYS  55           HB1      LYS  55 -13.961   1.196   1.303
  334    HG2  LYS  55           HG2      LYS  55 -11.404  -0.123   2.030
  335    HG3  LYS  55           HG1      LYS  55 -12.256  -0.683   0.590
  336    HD2  LYS  55           HD2      LYS  55 -12.366   1.751  -0.117
  337    HD3  LYS  55           HD1      LYS  55 -11.217   2.079   1.183
  338    HE2  LYS  55           HE2      LYS  55  -9.672   1.696  -0.404
  339    HE3  LYS  55           HE1      LYS  55 -10.004  -0.001  -0.058
  340    HZ1  LYS  55           HZ1      LYS  55 -10.845   1.629  -2.347
  341    HZ2  LYS  55           HZ2      LYS  55 -11.855   0.368  -1.845
  342    HZ3  LYS  55           HZ3      LYS  55 -10.262   0.042  -2.312
  343    H    LEU  56           HN       LEU  56 -12.565   3.408   2.722
  344    HA   LEU  56           HA       LEU  56 -15.136   4.613   3.514
  345    HG   LEU  56           HG       LEU  56 -12.913   4.009   5.263
  346    HB2  LEU  56           HB2      LEU  56 -12.703   6.303   3.446
  347    HB3  LEU  56           HB1      LEU  56 -14.089   6.373   4.516
  348   HD11  LEU  56          1HD1      LEU  56 -10.918   5.616   3.917
  349   HD12  LEU  56          2HD1      LEU  56 -10.815   3.965   4.529
  350   HD13  LEU  56          3HD1      LEU  56 -10.499   5.325   5.605
  351   HD21  LEU  56          3HD2      LEU  56 -12.069   6.573   6.537
  352   HD22  LEU  56          1HD2      LEU  56 -12.568   5.056   7.285
  353   HD23  LEU  56          2HD2      LEU  56 -13.770   6.110   6.543
  354    H    ALA  57           HN       ALA  57 -12.291   5.737   1.697
  355    HA   ALA  57           HA       ALA  57 -12.045   6.638  -0.373
  356    HB1  ALA  57           HB1      ALA  57 -12.824   4.965  -1.659
  357    HB2  ALA  57           HB2      ALA  57 -14.175   6.064  -1.935
  358    HB3  ALA  57           HB3      ALA  57 -14.307   4.791  -0.720
  359    H    ALA  58           HN       ALA  58 -12.250   8.694  -0.944
  360    HA   ALA  58           HA       ALA  58 -13.017  10.829  -1.074
  361    HB1  ALA  58           HB1      ALA  58 -15.390  11.123  -1.721
  362    HB2  ALA  58           HB2      ALA  58 -15.652   9.405  -1.422
  363    HB3  ALA  58           HB3      ALA  58 -14.548   9.919  -2.697
  364    H    ALA  59           HN       ALA  59 -16.126  10.066   0.244
  365    HA   ALA  59           HA       ALA  59 -15.419  10.617   2.978
  366    HB1  ALA  59           HB1      ALA  59 -15.890  12.791   3.133
  367    HB2  ALA  59           HB2      ALA  59 -17.365  12.618   2.180
  368    HB3  ALA  59           HB3      ALA  59 -15.813  12.832   1.371
  369    H    LEU  60           HN       LEU  60 -17.418  10.771   4.363
  370    HA   LEU  60           HA       LEU  60 -19.531   9.061   3.227
  371    HG   LEU  60           HG       LEU  60 -17.097   9.655   5.670
  372    HB2  LEU  60           HB2      LEU  60 -19.888   8.641   5.820
  373    HB3  LEU  60           HB1      LEU  60 -18.745   7.708   4.875
  374   HD11  LEU  60          1HD1      LEU  60 -18.866  10.850   6.888
  375   HD12  LEU  60          2HD1      LEU  60 -17.567  10.314   7.953
  376   HD13  LEU  60          3HD1      LEU  60 -19.096   9.436   7.917
  377   HD21  LEU  60          3HD2      LEU  60 -16.856   7.211   6.002
  378   HD22  LEU  60          1HD2      LEU  60 -17.877   7.338   7.434
  379   HD23  LEU  60          2HD2      LEU  60 -16.318   8.160   7.388
  380    H    GLU  61           HN       GLU  61 -19.402  11.979   3.144
  381    HA   GLU  61           HA       GLU  61 -21.131  13.088   5.098
  382    HB2  GLU  61           HB2      GLU  61 -19.808  13.976   2.651
  383    HB3  GLU  61           HB1      GLU  61 -21.399  14.694   2.859
  384    HG2  GLU  61           HG2      GLU  61 -20.650  15.294   5.211
  385    HG3  GLU  61           HG1      GLU  61 -19.022  14.877   4.676
  386    H    HIS  62           HN       HIS  62 -21.946  13.184   1.666
  387    HA   HIS  62           HA       HIS  62 -24.271  11.540   1.922
  388    HD1  HIS  62           HD1      HIS  62 -24.048  15.030   4.173
  389    HD2  HIS  62           HD2      HIS  62 -24.474  15.825   0.117
  390    HE1  HIS  62           HE1      HIS  62 -23.215  17.381   3.859
  391    HE2  HIS  62           HE2      HIS  62 -23.481  17.842   1.397
  392    HB2  HIS  62           HB2      HIS  62 -25.783  13.571   1.243
  393    HB3  HIS  62           HB1      HIS  62 -25.419  13.274   2.939
  394    H    HIS  63           HN       HIS  63 -25.798  12.540  -0.161
  395    HA   HIS  63           HA       HIS  63 -23.944  12.711  -2.430
  396    HD1  HIS  63           HD1      HIS  63 -22.601  11.463  -3.251
  397    HD2  HIS  63           HD2      HIS  63 -24.849   8.152  -2.133
  398    HE1  HIS  63           HE1      HIS  63 -20.989   9.532  -3.230
  399    HE2  HIS  63           HE2      HIS  63 -22.394   7.522  -2.649
  400    HB2  HIS  63           HB2      HIS  63 -26.031  10.631  -1.927
  401    HB3  HIS  63           HB1      HIS  63 -25.729  11.144  -3.584
  402    H    HIS  64           HN       HIS  64 -24.453  14.300  -3.764
  403    HA   HIS  64           HA       HIS  64 -25.566  15.994  -4.788
  404    HD1  HIS  64           HD1      HIS  64 -28.650  17.072  -5.854
  405    HD2  HIS  64           HD2      HIS  64 -26.330  14.272  -7.865
  406    HE1  HIS  64           HE1      HIS  64 -28.603  17.834  -8.249
  407    HE2  HIS  64           HE2      HIS  64 -27.117  16.176  -9.429
  408    HB2  HIS  64           HB2      HIS  64 -27.009  13.722  -5.263
  409    HB3  HIS  64           HB1      HIS  64 -28.234  14.777  -4.568
  410    H    HIS  65           HN       HIS  65 -27.904  17.233  -4.584
  411    HA   HIS  65           HA       HIS  65 -28.010  18.055  -1.762
  412    HD1  HIS  65           HD1      HIS  65 -25.726  18.490  -3.366
  413    HD2  HIS  65           HD2      HIS  65 -27.286  22.247  -2.526
  414    HE1  HIS  65           HE1      HIS  65 -23.738  19.950  -2.886
  415    HE2  HIS  65           HE2      HIS  65 -24.700  22.247  -2.507
  416    HB2  HIS  65           HB2      HIS  65 -28.508  19.554  -4.327
  417    HB3  HIS  65           HB1      HIS  65 -29.059  20.170  -2.774
  418    H    HIS  66           HN       HIS  66 -29.469  16.064  -1.649
  419    HA   HIS  66           HA       HIS  66 -31.536  15.137  -1.412
  420    HD1  HIS  66           HD1      HIS  66 -30.873  17.768   1.380
  421    HD2  HIS  66           HD2      HIS  66 -33.915  15.032   0.654
  422    HE1  HIS  66           HE1      HIS  66 -31.312  16.649   3.589
  423    HE2  HIS  66           HE2      HIS  66 -33.216  15.059   3.142
  424    HB2  HIS  66           HB2      HIS  66 -31.890  18.026  -0.906
  425    HB3  HIS  66           HB1      HIS  66 -33.369  17.135  -1.242
  426    H    HIS  67           HN       HIS  67 -30.608  15.414  -4.069
  427    HA   HIS  67           HA       HIS  67 -31.295  15.242  -6.229
  428    HD1  HIS  67           HD1      HIS  67 -31.665  14.279  -7.972
  429    HD2  HIS  67           HD2      HIS  67 -33.755  11.494  -5.705
  430    HE1  HIS  67           HE1      HIS  67 -31.379  12.087  -9.169
  431    HE2  HIS  67           HE2      HIS  67 -32.649  10.413  -7.778
  432    HB2  HIS  67           HB2      HIS  67 -33.304  14.019  -4.615
  433    HB3  HIS  67           HB1      HIS  67 -34.103  14.853  -5.944
  Start of MODEL    6
    1    H    VAL   1           HT1      VAL   1  19.740  -7.172  -1.845
    2    HA   VAL   1           HA       VAL   1  21.445  -5.487  -3.573
    3    HB   VAL   1           HB       VAL   1  19.816  -5.850  -5.114
    4   HG11  VAL   1          1HG1      VAL   1  18.565  -7.579  -4.303
    5   HG12  VAL   1          2HG1      VAL   1  17.359  -6.292  -4.286
    6   HG13  VAL   1          3HG1      VAL   1  18.185  -6.746  -2.795
    7   HG21  VAL   1          3HG2      VAL   1  17.976  -4.110  -3.545
    8   HG22  VAL   1          1HG2      VAL   1  18.426  -4.033  -5.249
    9   HG23  VAL   1          2HG2      VAL   1  19.555  -3.478  -4.013
   10    HA   PRO   2           HA       PRO   2  20.661  -2.885   0.004
   11    HB2  PRO   2           HB2      PRO   2  22.630  -1.133  -0.417
   12    HB3  PRO   2           HB1      PRO   2  22.982  -2.790   0.092
   13    HG2  PRO   2           HG2      PRO   2  23.195  -1.553  -2.616
   14    HG3  PRO   2           HG1      PRO   2  24.259  -2.733  -1.835
   15    HD2  PRO   2           HD2      PRO   2  22.267  -3.323  -3.696
   16    HD3  PRO   2           HD1      PRO   2  23.025  -4.487  -2.593
   17    H    CYS   3           HN       CYS   3  21.527  -0.076  -0.558
   18    HA   CYS   3           HA       CYS   3  20.075   1.018  -2.697
   19    HB2  CYS   3           HB2      CYS   3  18.470   0.291  -0.423
   20    HB3  CYS   3           HB1      CYS   3  18.467   2.041  -0.615
   21    H    ASP   4           HN       ASP   4  22.579   1.343  -1.352
   22    HA   ASP   4           HA       ASP   4  22.553   3.752   0.184
   23    HB2  ASP   4           HB2      ASP   4  24.619   1.934  -0.933
   24    HB3  ASP   4           HB1      ASP   4  25.118   3.590  -0.598
   25    H    ASN   5           HN       ASN   5  22.919   2.958  -3.198
   26    HA   ASN   5           HA       ASN   5  22.489   5.702  -3.945
   27    HB2  ASN   5           HB2      ASN   5  25.181   4.563  -3.943
   28    HB3  ASN   5           HB1      ASN   5  24.705   5.190  -5.519
   29   HD21  ASN   5          1HD2      ASN   5  26.743   6.408  -4.376
   30   HD22  ASN   5          2HD2      ASN   5  26.294   7.950  -3.737
   31    H    VAL   6           HN       VAL   6  23.788   2.665  -5.294
   32    HA   VAL   6           HA       VAL   6  21.567   2.646  -7.207
   33    HB   VAL   6           HB       VAL   6  23.349   3.552  -8.512
   34   HG11  VAL   6          1HG1      VAL   6  25.549   2.713  -8.627
   35   HG12  VAL   6          2HG1      VAL   6  25.112   1.231  -7.776
   36   HG13  VAL   6          3HG1      VAL   6  25.148   2.769  -6.911
   37   HG21  VAL   6          3HG2      VAL   6  23.165   2.166 -10.292
   38   HG22  VAL   6          1HG2      VAL   6  21.999   1.358  -9.244
   39   HG23  VAL   6          2HG2      VAL   6  23.645   0.740  -9.372
   40    H    SER   7           HN       SER   7  20.505   0.818  -6.937
   41    HA   SER   7           HA       SER   7  21.998  -1.677  -6.577
   42    HG   SER   7           HG       SER   7  21.032   0.449  -4.431
   43    HB2  SER   7           HB2      SER   7  19.499  -1.199  -4.979
   44    HB3  SER   7           HB1      SER   7  20.788  -2.369  -4.697
   45    H    SER   8           HN       SER   8  20.062  -3.510  -6.477
   46    HA   SER   8           HA       SER   8  18.102  -2.902  -8.553
   47    HG   SER   8           HG       SER   8  18.045  -4.535 -10.584
   48    HB2  SER   8           HB2      SER   8  20.492  -4.142  -9.218
   49    HB3  SER   8           HB1      SER   8  19.358  -5.483  -9.057
   50    H    CYS   9           HN       CYS   9  16.608  -3.130  -6.827
   51    HA   CYS   9           HA       CYS   9  16.325  -5.767  -5.615
   52    HB2  CYS   9           HB2      CYS   9  15.637  -3.096  -4.844
   53    HB3  CYS   9           HB1      CYS   9  14.158  -4.049  -4.914
   54    HA   PRO  10           HA       PRO  10  13.076  -6.949  -8.376
   55    HB2  PRO  10           HB2      PRO  10  11.574  -8.606  -6.914
   56    HB3  PRO  10           HB1      PRO  10  13.256  -8.994  -7.300
   57    HG2  PRO  10           HG2      PRO  10  12.092  -7.910  -4.767
   58    HG3  PRO  10           HG1      PRO  10  13.350  -9.139  -4.986
   59    HD2  PRO  10           HD2      PRO  10  13.829  -6.479  -4.397
   60    HD3  PRO  10           HD1      PRO  10  15.003  -7.573  -5.155
   61    H    SER  11           HN       SER  11  10.980  -6.538  -9.049
   62    HA   SER  11           HA       SER  11   9.707  -4.255  -8.111
   63    HG   SER  11           HG       SER  11   7.831  -7.151 -10.058
   64    HB2  SER  11           HB2      SER  11   7.713  -5.155  -9.462
   65    HB3  SER  11           HB1      SER  11   9.226  -4.896 -10.330
   66    H    SER  12           HN       SER  12   7.356  -4.185  -7.411
   67    HA   SER  12           HA       SER  12   5.834  -4.484  -5.751
   68    HG   SER  12           HG       SER  12   4.023  -5.984  -5.709
   69    HB2  SER  12           HB2      SER  12   6.354  -7.118  -6.866
   70    HB3  SER  12           HB1      SER  12   5.865  -7.214  -5.174
   71    H    ASP  13           HN       ASP  13   8.512  -3.871  -4.984
   72    HA   ASP  13           HA       ASP  13   8.338  -4.360  -2.200
   73    HB2  ASP  13           HB2      ASP  13   9.810  -6.301  -3.754
   74    HB3  ASP  13           HB1      ASP  13  10.882  -5.470  -2.631
   75    H    THR  14           HN       THR  14   9.041  -2.521  -1.371
   76    HA   THR  14           HA       THR  14  10.945  -0.885  -2.851
   77    HB   THR  14           HB       THR  14   8.988   0.264  -2.009
   78    HG1  THR  14           HG1      THR  14  10.863   1.224  -0.195
   79   HG21  THR  14          3HG2      THR  14   8.732  -1.370  -0.045
   80   HG22  THR  14          1HG2      THR  14   8.312   0.320   0.235
   81   HG23  THR  14          2HG2      THR  14   9.856  -0.313   0.809
   82    H    CYS  15           HN       CYS  15  12.623   0.306  -1.503
   83    HA   CYS  15           HA       CYS  15  13.886  -1.601   0.353
   84    HB2  CYS  15           HB2      CYS  15  16.017  -0.931  -0.417
   85    HB3  CYS  15           HB1      CYS  15  15.043  -1.109  -1.872
   86    H    CYS  16           HN       CYS  16  14.491  -0.923   2.336
   87    HA   CYS  16           HA       CYS  16  14.352   1.943   2.947
   88    HG   CYS  16           HG       CYS  16  12.090   2.942   5.078
   89    HB2  CYS  16           HB2      CYS  16  12.589  -0.151   3.933
   90    HB3  CYS  16           HB1      CYS  16  13.395   0.703   5.244
   91    H    GLN  17           HN       GLN  17  15.251   2.390   5.186
   92    HA   GLN  17           HA       GLN  17  17.768   0.932   5.446
   93    HB2  GLN  17           HB2      GLN  17  17.772   3.414   5.265
   94    HB3  GLN  17           HB1      GLN  17  16.890   3.497   6.783
   95    HG2  GLN  17           HG2      GLN  17  18.890   2.107   7.701
   96    HG3  GLN  17           HG1      GLN  17  19.726   2.732   6.280
   97   HE21  GLN  17          1HE2      GLN  17  20.889   4.450   6.715
   98   HE22  GLN  17          2HE2      GLN  17  20.499   5.694   7.849
   99    H    LEU  18           HN       LEU  18  18.573   0.289   7.527
  100    HA   LEU  18           HA       LEU  18  16.413  -0.550   9.330
  101    HG   LEU  18           HG       LEU  18  16.749  -2.476   7.758
  102    HB2  LEU  18           HB2      LEU  18  19.114  -1.666   8.681
  103    HB3  LEU  18           HB1      LEU  18  18.364  -2.048  10.219
  104   HD11  LEU  18          1HD1      LEU  18  17.985  -4.101   6.876
  105   HD12  LEU  18          2HD1      LEU  18  18.324  -4.810   8.455
  106   HD13  LEU  18          3HD1      LEU  18  19.317  -3.483   7.852
  107   HD21  LEU  18          3HD2      LEU  18  17.056  -3.824  10.431
  108   HD22  LEU  18          1HD2      LEU  18  16.081  -4.490   9.121
  109   HD23  LEU  18          2HD2      LEU  18  15.669  -2.924   9.819
  110    H    THR  19           HN       THR  19  17.872  -1.099  11.601
  111    HA   THR  19           HA       THR  19  18.554   1.612  12.502
  112    HB   THR  19           HB       THR  19  17.926   1.010  14.680
  113    HG1  THR  19           HG1      THR  19  18.083  -1.698  13.806
  114   HG21  THR  19          3HG2      THR  19  15.728   0.832  14.300
  115   HG22  THR  19          1HG2      THR  19  15.903  -0.783  13.612
  116   HG23  THR  19          2HG2      THR  19  16.137   0.640  12.596
  117    H    SER  20           HN       SER  20  20.009  -1.255  11.606
  118    HA   SER  20           HA       SER  20  22.245  -1.016  13.468
  119    HG   SER  20           HG       SER  20  20.425  -3.695  12.924
  120    HB2  SER  20           HB2      SER  20  21.641  -3.049  11.309
  121    HB3  SER  20           HB1      SER  20  23.066  -3.092  12.348
  122    H    GLY  21           HN       GLY  21  21.441   0.700  10.933
  123    HA2  GLY  21           HA2      GLY  21  22.722   2.128   9.636
  124    HA3  GLY  21           HA1      GLY  21  24.165   1.344  10.262
  125    H    GLU  22           HN       GLU  22  21.536  -0.387   8.719
  126    HA   GLU  22           HA       GLU  22  23.268  -0.834   6.377
  127    HB2  GLU  22           HB2      GLU  22  21.440  -2.897   7.614
  128    HB3  GLU  22           HB1      GLU  22  22.572  -3.141   6.291
  129    HG2  GLU  22           HG2      GLU  22  24.355  -3.313   7.660
  130    HG3  GLU  22           HG1      GLU  22  23.719  -2.145   8.817
  131    H    TRP  23           HN       TRP  23  21.636  -2.258   4.774
  132    HA   TRP  23           HA       TRP  23  19.120  -0.773   4.557
  133    HD1  TRP  23           HD1      TRP  23  22.317   1.274   3.920
  134    HE1  TRP  23           HE1      TRP  23  21.581   3.740   3.994
  135    HE3  TRP  23           HE3      TRP  23  17.650   0.789   1.895
  136    HZ2  TRP  23           HZ2      TRP  23  19.318   5.276   3.288
  137    HZ3  TRP  23           HZ3      TRP  23  16.264   2.802   1.627
  138    HH2  TRP  23           HH2      TRP  23  17.082   4.999   2.311
  139    HB2  TRP  23           HB2      TRP  23  21.344  -0.831   2.551
  140    HB3  TRP  23           HB1      TRP  23  19.679  -0.726   1.989
  141    H    GLY  24           HN       GLY  24  17.460  -1.868   3.495
  142    HA2  GLY  24           HA2      GLY  24  17.961  -4.410   2.216
  143    HA3  GLY  24           HA1      GLY  24  17.191  -4.551   3.788
  144    H    CYS  25           HN       CYS  25  16.061  -5.387   1.314
  145    HA   CYS  25           HA       CYS  25  14.083  -3.403   0.579
  146    HB2  CYS  25           HB2      CYS  25  15.166  -5.781  -0.598
  147    HB3  CYS  25           HB1      CYS  25  13.414  -5.935  -0.510
  148    H    CYS  26           HN       CYS  26  12.190  -3.161   1.553
  149    HA   CYS  26           HA       CYS  26  11.334  -5.065   3.558
  150    HG   CYS  26           HG       CYS  26  11.536  -3.355   5.707
  151    HB2  CYS  26           HB2      CYS  26  10.299  -2.375   2.669
  152    HB3  CYS  26           HB1      CYS  26   9.447  -3.367   3.847
  153    HA   PRO  27           HA       PRO  27   8.375  -7.049   0.924
  154    HB2  PRO  27           HB2      PRO  27   6.923  -8.368   2.729
  155    HB3  PRO  27           HB1      PRO  27   8.635  -8.742   2.490
  156    HG2  PRO  27           HG2      PRO  27   7.332  -7.123   4.641
  157    HG3  PRO  27           HG1      PRO  27   8.657  -8.295   4.768
  158    HD2  PRO  27           HD2      PRO  27   8.972  -5.542   4.657
  159    HD3  PRO  27           HD1      PRO  27  10.231  -6.728   4.259
  160    H    ILE  28           HN       ILE  28   7.711  -4.244   2.146
  161    HA   ILE  28           HA       ILE  28   4.798  -4.466   1.758
  162    HB   ILE  28           HB       ILE  28   5.433  -2.039   3.122
  163   HG12  ILE  28          2HG1      ILE  28   5.980  -3.836   5.226
  164   HG13  ILE  28          1HG1      ILE  28   7.089  -4.256   3.926
  165   HG21  ILE  28          1HG2      ILE  28   3.534  -4.152   3.170
  166   HG22  ILE  28          2HG2      ILE  28   3.410  -2.538   3.872
  167   HG23  ILE  28          3HG2      ILE  28   4.091  -3.861   4.818
  168   HD11  ILE  28          3HD1      ILE  28   7.884  -2.558   5.628
  169   HD12  ILE  28          1HD1      ILE  28   6.749  -1.436   4.878
  170   HD13  ILE  28          2HD1      ILE  28   8.063  -2.127   3.927
  171    HA   PRO  29           HA       PRO  29   6.452  -1.737  -1.613
  172    HB2  PRO  29           HB2      PRO  29   4.882  -2.738  -3.563
  173    HB3  PRO  29           HB1      PRO  29   6.404  -3.505  -3.093
  174    HG2  PRO  29           HG2      PRO  29   3.605  -4.207  -2.285
  175    HG3  PRO  29           HG1      PRO  29   4.917  -5.280  -2.811
  176    HD2  PRO  29           HD2      PRO  29   4.299  -4.937  -0.206
  177    HD3  PRO  29           HD1      PRO  29   5.962  -5.215  -0.759
  178    H    GLU  30           HN       GLU  30   4.198  -1.485  -3.527
  179    HA   GLU  30           HA       GLU  30   3.071   0.884  -2.680
  180    HB2  GLU  30           HB2      GLU  30   2.906  -0.684  -4.952
  181    HB3  GLU  30           HB1      GLU  30   1.250  -0.659  -4.363
  182    HG2  GLU  30           HG2      GLU  30   0.979   1.328  -5.280
  183    HG3  GLU  30           HG1      GLU  30   2.203   1.981  -4.193
  184    H    ALA  31           HN       ALA  31   0.714   1.320  -2.301
  185    HA   ALA  31           HA       ALA  31  -0.151   0.394   0.113
  186    HB1  ALA  31           HB1      ALA  31  -1.239   1.996  -1.986
  187    HB2  ALA  31           HB2      ALA  31  -1.603   2.024  -0.261
  188    HB3  ALA  31           HB3      ALA  31  -2.500   0.950  -1.334
  189    H    VAL  32           HN       VAL  32  -1.760  -0.599  -2.922
  190    HA   VAL  32           HA       VAL  32  -2.972  -2.853  -1.640
  191    HB   VAL  32           HB       VAL  32  -2.808  -2.334  -4.613
  192   HG11  VAL  32          1HG1      VAL  32  -4.597  -3.803  -4.843
  193   HG12  VAL  32          2HG1      VAL  32  -5.020  -3.711  -3.133
  194   HG13  VAL  32          3HG1      VAL  32  -3.577  -4.590  -3.639
  195   HG21  VAL  32          3HG2      VAL  32  -5.312  -1.542  -3.707
  196   HG22  VAL  32          1HG2      VAL  32  -4.005  -0.491  -4.250
  197   HG23  VAL  32          2HG2      VAL  32  -4.183  -0.861  -2.536
  198    H    CYS  33           HN       CYS  33  -2.316  -4.907  -1.540
  199    HA   CYS  33           HA       CYS  33  -0.146  -5.815  -3.285
  200    HG   CYS  33           HG       CYS  33   2.019  -7.817  -1.936
  201    HB2  CYS  33           HB2      CYS  33   1.155  -5.319  -1.419
  202    HB3  CYS  33           HB1      CYS  33  -0.123  -5.747  -0.287
  203    H    CYS  34           HN       CYS  34  -2.220  -6.920  -0.602
  204    HA   CYS  34           HA       CYS  34  -3.502  -8.773  -0.319
  205    HB2  CYS  34           HB2      CYS  34  -4.014  -7.826  -2.937
  206    HB3  CYS  34           HB1      CYS  34  -3.935  -9.582  -3.036
  207    H    SER  35           HN       SER  35  -2.139 -10.250   0.565
  208    HA   SER  35           HA       SER  35  -0.188 -11.682  -0.958
  209    HG   SER  35           HG       SER  35  -1.574 -11.576   2.654
  210    HB2  SER  35           HB2      SER  35   0.170 -12.968   1.102
  211    HB3  SER  35           HB1      SER  35   0.109 -11.241   1.450
  212    H    ASP  36           HN       ASP  36  -3.242 -12.632   0.606
  213    HA   ASP  36           HA       ASP  36  -4.665 -14.368   0.264
  214    HB2  ASP  36           HB2      ASP  36  -3.833 -14.562  -2.598
  215    HB3  ASP  36           HB1      ASP  36  -5.446 -14.605  -1.895
  216    H    HIS  37           HN       HIS  37  -2.840 -15.638  -2.398
  217    HA   HIS  37           HA       HIS  37  -1.393 -17.540  -0.759
  218    HD1  HIS  37           HD1      HIS  37  -5.095 -20.102  -0.817
  219    HD2  HIS  37           HD2      HIS  37  -1.336 -19.125   0.661
  220    HE1  HIS  37           HE1      HIS  37  -4.945 -21.220   1.430
  221    HE2  HIS  37           HE2      HIS  37  -2.628 -20.689   2.265
  222    HB2  HIS  37           HB2      HIS  37  -3.907 -18.202  -2.111
  223    HB3  HIS  37           HB1      HIS  37  -2.580 -19.273  -2.545
  224    H    GLN  38           HN       GLN  38  -2.516 -17.009  -4.100
  225    HA   GLN  38           HA       GLN  38   0.266 -17.383  -4.994
  226    HB2  GLN  38           HB2      GLN  38  -0.824 -17.937  -7.236
  227    HB3  GLN  38           HB1      GLN  38  -0.977 -19.135  -5.960
  228    HG2  GLN  38           HG2      GLN  38  -3.209 -17.524  -5.652
  229    HG3  GLN  38           HG1      GLN  38  -3.022 -17.686  -7.397
  230   HE21  GLN  38          1HE2      GLN  38  -2.612 -19.967  -8.147
  231   HE22  GLN  38          2HE2      GLN  38  -3.542 -21.213  -7.394
  232    H    HIS  39           HN       HIS  39   0.023 -16.422  -7.568
  233    HA   HIS  39           HA       HIS  39  -0.948 -13.672  -7.300
  234    HD1  HIS  39           HD1      HIS  39   2.159 -12.418  -9.986
  235    HD2  HIS  39           HD2      HIS  39   0.282 -11.155  -6.500
  236    HE1  HIS  39           HE1      HIS  39   2.003  -9.915 -10.175
  237    HE2  HIS  39           HE2      HIS  39   0.912  -9.167  -8.031
  238    HB2  HIS  39           HB2      HIS  39   1.517 -13.826  -6.712
  239    HB3  HIS  39           HB1      HIS  39   1.800 -14.287  -8.388
  240    H    CYS  40           HN       CYS  40  -2.026 -13.022  -9.042
  241    HA   CYS  40           HA       CYS  40  -1.294 -13.872 -11.695
  242    HG   CYS  40           HG       CYS  40  -5.636 -15.326 -11.001
  243    HB2  CYS  40           HB2      CYS  40  -3.336 -14.983 -12.273
  244    HB3  CYS  40           HB1      CYS  40  -2.711 -15.755 -10.820
  245    H    CYS  41           HN       CYS  41  -2.219 -11.582  -9.672
  246    HA   CYS  41           HA       CYS  41  -3.727 -10.087 -11.715
  247    HB2  CYS  41           HB2      CYS  41  -4.333 -10.581  -8.944
  248    HB3  CYS  41           HB1      CYS  41  -4.121  -8.854  -9.208
  249    HA   PRO  42           HA       PRO  42  -0.523  -7.054 -11.760
  250    HB2  PRO  42           HB2      PRO  42  -2.514  -4.891 -11.750
  251    HB3  PRO  42           HB1      PRO  42  -1.375  -5.359 -13.015
  252    HG2  PRO  42           HG2      PRO  42  -4.020  -5.787 -13.252
  253    HG3  PRO  42           HG1      PRO  42  -2.820  -6.904 -13.931
  254    HD2  PRO  42           HD2      PRO  42  -4.429  -7.144 -11.416
  255    HD3  PRO  42           HD1      PRO  42  -4.025  -8.388 -12.619
  256    H    GLN  43           HN       GLN  43  -0.994  -4.310 -10.803
  257    HA   GLN  43           HA       GLN  43  -0.915  -4.805  -7.898
  258    HB2  GLN  43           HB2      GLN  43   0.850  -3.166  -9.667
  259    HB3  GLN  43           HB1      GLN  43   0.572  -2.623  -8.017
  260    HG2  GLN  43           HG2      GLN  43   1.597  -4.495  -7.096
  261    HG3  GLN  43           HG1      GLN  43   1.455  -5.424  -8.588
  262   HE21  GLN  43          1HE2      GLN  43   2.757  -2.222  -7.772
  263   HE22  GLN  43          2HE2      GLN  43   4.308  -2.483  -8.487
  264    H    GLY  44           HN       GLY  44  -1.672  -3.082  -6.535
  265    HA2  GLY  44           HA2      GLY  44  -3.150  -1.425  -5.936
  266    HA3  GLY  44           HA1      GLY  44  -2.858  -0.716  -7.517
  267    H    TYR  45           HN       TYR  45  -4.057  -3.961  -7.196
  268    HA   TYR  45           HA       TYR  45  -6.526  -3.147  -8.520
  269    HD1  TYR  45           HD1      TYR  45  -3.302  -5.497  -7.820
  270    HD2  TYR  45           HD2      TYR  45  -7.119  -7.371  -7.707
  271    HE1  TYR  45           HE1      TYR  45  -2.352  -7.335  -6.489
  272    HE2  TYR  45           HE2      TYR  45  -6.180  -9.214  -6.374
  273    HH   TYR  45           HH       TYR  45  -3.315  -9.070  -4.792
  274    HB2  TYR  45           HB2      TYR  45  -6.819  -5.503  -9.050
  275    HB3  TYR  45           HB1      TYR  45  -5.198  -4.984  -9.499
  276    H    THR  46           HN       THR  46  -8.342  -4.960  -7.875
  277    HA   THR  46           HA       THR  46  -8.738  -4.598  -4.976
  278    HB   THR  46           HB       THR  46 -11.008  -5.029  -6.894
  279    HG1  THR  46           HG1      THR  46 -11.130  -2.793  -7.186
  280   HG21  THR  46          3HG2      THR  46 -12.328  -4.019  -5.209
  281   HG22  THR  46          1HG2      THR  46 -10.910  -3.401  -4.362
  282   HG23  THR  46          2HG2      THR  46 -11.250  -5.132  -4.366
  283    H    CYS  47           HN       CYS  47  -9.279  -6.324  -3.742
  284    HA   CYS  47           HA       CYS  47  -9.308  -8.940  -5.080
  285    HB2  CYS  47           HB2      CYS  47  -8.944  -8.606  -2.123
  286    HB3  CYS  47           HB1      CYS  47  -8.334  -9.872  -3.183
  287    H    VAL  48           HN       VAL  48 -11.222  -9.866  -5.312
  288    HA   VAL  48           HA       VAL  48 -13.472  -9.034  -3.670
  289    HB   VAL  48           HB       VAL  48 -13.835 -11.220  -5.633
  290   HG11  VAL  48          1HG1      VAL  48 -15.405  -9.271  -4.300
  291   HG12  VAL  48          2HG1      VAL  48 -15.937 -10.559  -5.381
  292   HG13  VAL  48          3HG1      VAL  48 -15.528  -8.973  -6.034
  293   HG21  VAL  48          3HG2      VAL  48 -13.994  -9.085  -7.309
  294   HG22  VAL  48          1HG2      VAL  48 -12.625 -10.193  -7.224
  295   HG23  VAL  48          2HG2      VAL  48 -12.579  -8.665  -6.344
  296    H    ALA  49           HN       ALA  49 -15.028 -10.868  -3.014
  297    HA   ALA  49           HA       ALA  49 -13.704 -12.486  -1.105
  298    HB1  ALA  49           HB1      ALA  49 -16.266 -13.529  -1.389
  299    HB2  ALA  49           HB2      ALA  49 -16.429 -11.822  -1.799
  300    HB3  ALA  49           HB3      ALA  49 -15.747 -12.292  -0.243
  301    H    GLU  50           HN       GLU  50 -15.083 -13.132  -4.282
  302    HA   GLU  50           HA       GLU  50 -14.762 -15.965  -4.134
  303    HB2  GLU  50           HB2      GLU  50 -15.669 -14.001  -6.117
  304    HB3  GLU  50           HB1      GLU  50 -14.849 -15.389  -6.818
  305    HG2  GLU  50           HG2      GLU  50 -16.476 -16.848  -6.189
  306    HG3  GLU  50           HG1      GLU  50 -16.937 -15.900  -4.775
  307    H    GLY  51           HN       GLY  51 -13.536 -16.801  -6.366
  308    HA2  GLY  51           HA2      GLY  51 -10.745 -16.278  -5.746
  309    HA3  GLY  51           HA1      GLY  51 -11.361 -17.544  -6.795
  310    H    GLN  52           HN       GLN  52 -11.623 -13.986  -6.787
  311    HA   GLN  52           HA       GLN  52 -10.142 -13.833  -9.272
  312    HB2  GLN  52           HB2      GLN  52 -11.951 -12.639 -10.466
  313    HB3  GLN  52           HB1      GLN  52 -12.362 -14.313 -10.116
  314    HG2  GLN  52           HG2      GLN  52 -13.871 -13.710  -8.433
  315    HG3  GLN  52           HG1      GLN  52 -13.230 -12.071  -8.329
  316   HE21  GLN  52          1HE2      GLN  52 -14.276 -14.066 -11.069
  317   HE22  GLN  52          2HE2      GLN  52 -15.444 -12.941 -11.664
  318    H    CYS  53           HN       CYS  53  -9.885 -11.545  -9.993
  319    HA   CYS  53           HA       CYS  53 -10.294  -9.547  -7.907
  320    HB2  CYS  53           HB2      CYS  53  -7.816  -8.853  -8.332
  321    HB3  CYS  53           HB1      CYS  53  -8.168 -10.157  -7.204
  322    H    GLN  54           HN       GLN  54  -9.517  -7.333  -8.717
  323    HA   GLN  54           HA       GLN  54  -9.240  -6.928 -11.519
  324    HB2  GLN  54           HB2      GLN  54 -11.554  -7.455 -11.678
  325    HB3  GLN  54           HB1      GLN  54 -11.946  -6.476 -10.273
  326    HG2  GLN  54           HG2      GLN  54 -12.095  -4.596 -11.467
  327    HG3  GLN  54           HG1      GLN  54 -10.686  -4.988 -12.449
  328   HE21  GLN  54          1HE2      GLN  54 -13.006  -7.459 -12.351
  329   HE22  GLN  54          2HE2      GLN  54 -13.753  -7.150 -13.875
  330    H    LYS  55           HN       LYS  55  -8.233  -5.056 -11.842
  331    HA   LYS  55           HA       LYS  55  -7.871  -3.237  -9.622
  332    HB2  LYS  55           HB2      LYS  55  -6.123  -4.039 -11.410
  333    HB3  LYS  55           HB1      LYS  55  -6.798  -2.733 -12.374
  334    HG2  LYS  55           HG2      LYS  55  -6.345  -1.460 -10.022
  335    HG3  LYS  55           HG1      LYS  55  -5.030  -2.638 -10.035
  336    HD2  LYS  55           HD2      LYS  55  -5.658  -0.837 -12.367
  337    HD3  LYS  55           HD1      LYS  55  -4.513  -0.407 -11.095
  338    HE2  LYS  55           HE2      LYS  55  -2.929  -1.546 -12.153
  339    HE3  LYS  55           HE1      LYS  55  -3.873  -3.023 -11.955
  340    HZ1  LYS  55           HZ1      LYS  55  -3.881  -1.148 -14.246
  341    HZ2  LYS  55           HZ2      LYS  55  -5.104  -2.293 -14.017
  342    HZ3  LYS  55           HZ3      LYS  55  -3.506  -2.799 -14.245
  343    H    LEU  56           HN       LEU  56  -7.868  -0.810 -10.212
  344    HA   LEU  56           HA       LEU  56 -10.433  -0.218 -11.527
  345    HG   LEU  56           HG       LEU  56  -9.054  -0.527  -8.618
  346    HB2  LEU  56           HB2      LEU  56  -9.135   1.836  -9.841
  347    HB3  LEU  56           HB1      LEU  56 -10.831   1.420  -9.999
  348   HD11  LEU  56          1HD1      LEU  56  -8.379   1.631  -7.676
  349   HD12  LEU  56          2HD1      LEU  56  -9.270   0.657  -6.506
  350   HD13  LEU  56          3HD1      LEU  56 -10.067   2.001  -7.323
  351   HD21  LEU  56          3HD2      LEU  56 -11.909   0.193  -8.746
  352   HD22  LEU  56          1HD2      LEU  56 -11.309  -0.297  -7.162
  353   HD23  LEU  56          2HD2      LEU  56 -11.139  -1.382  -8.543
  354    H    ALA  57           HN       ALA  57 -10.600   1.680 -12.838
  355    HA   ALA  57           HA       ALA  57  -8.152   2.996 -13.671
  356    HB1  ALA  57           HB1      ALA  57  -9.140   0.774 -15.116
  357    HB2  ALA  57           HB2      ALA  57  -7.806   1.848 -15.537
  358    HB3  ALA  57           HB3      ALA  57  -9.442   2.216 -16.086
  359    H    ALA  58           HN       ALA  58 -11.628   2.564 -14.116
  360    HA   ALA  58           HA       ALA  58 -12.091   5.382 -13.967
  361    HB1  ALA  58           HB1      ALA  58 -13.265   4.568 -16.479
  362    HB2  ALA  58           HB2      ALA  58 -11.506   4.427 -16.513
  363    HB3  ALA  58           HB3      ALA  58 -12.261   5.970 -16.106
  364    H    ALA  59           HN       ALA  59 -13.771   2.731 -15.651
  365    HA   ALA  59           HA       ALA  59 -16.175   3.300 -14.114
  366    HB1  ALA  59           HB1      ALA  59 -16.466   1.073 -15.897
  367    HB2  ALA  59           HB2      ALA  59 -15.678   2.414 -16.729
  368    HB3  ALA  59           HB3      ALA  59 -17.242   2.657 -15.951
  369    H    LEU  60           HN       LEU  60 -17.018   2.029 -12.566
  370    HA   LEU  60           HA       LEU  60 -15.606  -0.486 -11.957
  371    HG   LEU  60           HG       LEU  60 -17.485   2.347 -10.725
  372    HB2  LEU  60           HB2      LEU  60 -16.598   0.041  -9.578
  373    HB3  LEU  60           HB1      LEU  60 -15.086   0.755 -10.107
  374   HD11  LEU  60          1HD1      LEU  60 -17.488   3.220  -8.336
  375   HD12  LEU  60          2HD1      LEU  60 -16.675   1.715  -7.905
  376   HD13  LEU  60          3HD1      LEU  60 -18.283   1.674  -8.626
  377   HD21  LEU  60          3HD2      LEU  60 -15.588   3.526 -11.168
  378   HD22  LEU  60          1HD2      LEU  60 -14.667   2.742  -9.883
  379   HD23  LEU  60          2HD2      LEU  60 -15.830   4.007  -9.488
  380    H    GLU  61           HN       GLU  61 -17.291  -1.226 -13.582
  381    HA   GLU  61           HA       GLU  61 -19.909  -1.638 -12.317
  382    HB2  GLU  61           HB2      GLU  61 -20.424  -2.511 -14.735
  383    HB3  GLU  61           HB1      GLU  61 -20.371  -0.785 -14.408
  384    HG2  GLU  61           HG2      GLU  61 -18.474  -0.469 -15.606
  385    HG3  GLU  61           HG1      GLU  61 -17.846  -2.077 -15.248
  386    H    HIS  62           HN       HIS  62 -20.709  -3.646 -11.911
  387    HA   HIS  62           HA       HIS  62 -18.901  -5.917 -12.424
  388    HD1  HIS  62           HD1      HIS  62 -18.324  -8.179 -10.942
  389    HD2  HIS  62           HD2      HIS  62 -17.777  -4.766  -8.635
  390    HE1  HIS  62           HE1      HIS  62 -16.109  -8.492  -9.793
  391    HE2  HIS  62           HE2      HIS  62 -15.775  -6.393  -8.441
  392    HB2  HIS  62           HB2      HIS  62 -20.116  -4.963  -9.968
  393    HB3  HIS  62           HB1      HIS  62 -20.564  -6.634 -10.293
  394    H    HIS  63           HN       HIS  63 -20.632  -7.940 -11.579
  395    HA   HIS  63           HA       HIS  63 -22.082  -8.493 -13.895
  396    HD1  HIS  63           HD1      HIS  63 -21.207 -10.849 -14.503
  397    HD2  HIS  63           HD2      HIS  63 -20.112 -10.857 -10.495
  398    HE1  HIS  63           HE1      HIS  63 -19.084 -12.192 -14.390
  399    HE2  HIS  63           HE2      HIS  63 -18.403 -12.127 -11.964
  400    HB2  HIS  63           HB2      HIS  63 -22.417  -9.612 -11.105
  401    HB3  HIS  63           HB1      HIS  63 -23.167 -10.293 -12.544
  402    H    HIS  64           HN       HIS  64 -23.536  -7.948 -10.690
  403    HA   HIS  64           HA       HIS  64 -25.400  -6.015 -11.661
  404    HD1  HIS  64           HD1      HIS  64 -27.521  -8.802  -9.086
  405    HD2  HIS  64           HD2      HIS  64 -25.449 -10.533 -12.246
  406    HE1  HIS  64           HE1      HIS  64 -27.231 -11.220  -8.457
  407    HE2  HIS  64           HE2      HIS  64 -26.043 -12.263 -10.417
  408    HB2  HIS  64           HB2      HIS  64 -27.444  -7.358 -11.249
  409    HB3  HIS  64           HB1      HIS  64 -26.491  -7.973 -12.595
  410    H    HIS  65           HN       HIS  65 -26.540  -4.998  -9.994
  411    HA   HIS  65           HA       HIS  65 -25.703  -5.801  -7.284
  412    HD1  HIS  65           HD1      HIS  65 -24.003  -1.527  -7.850
  413    HD2  HIS  65           HD2      HIS  65 -23.494  -5.626  -7.401
  414    HE1  HIS  65           HE1      HIS  65 -21.519  -1.882  -7.700
  415    HE2  HIS  65           HE2      HIS  65 -21.239  -4.360  -7.339
  416    HB2  HIS  65           HB2      HIS  65 -26.107  -3.089  -8.521
  417    HB3  HIS  65           HB1      HIS  65 -26.159  -3.307  -6.776
  418    H    HIS  66           HN       HIS  66 -28.139  -3.456  -8.339
  419    HA   HIS  66           HA       HIS  66 -30.335  -3.200  -7.816
  420    HD1  HIS  66           HD1      HIS  66 -31.981  -2.804  -8.462
  421    HD2  HIS  66           HD2      HIS  66 -32.341  -6.508 -10.311
  422    HE1  HIS  66           HE1      HIS  66 -33.778  -2.517 -10.197
  423    HE2  HIS  66           HE2      HIS  66 -34.010  -4.783 -11.274
  424    HB2  HIS  66           HB2      HIS  66 -30.013  -5.884  -8.706
  425    HB3  HIS  66           HB1      HIS  66 -31.162  -5.898  -7.373
  426    H    HIS  67           HN       HIS  67 -28.828  -2.699  -5.706
  427    HA   HIS  67           HA       HIS  67 -29.109  -4.219  -3.398
  428    HD1  HIS  67           HD1      HIS  67 -26.764  -0.713  -1.700
  429    HD2  HIS  67           HD2      HIS  67 -28.499  -4.476  -1.379
  430    HE1  HIS  67           HE1      HIS  67 -25.790  -1.726   0.384
  431    HE2  HIS  67           HE2      HIS  67 -26.827  -4.017   0.542
  432    HB2  HIS  67           HB2      HIS  67 -27.888  -1.874  -3.992
  433    HB3  HIS  67           HB1      HIS  67 -29.251  -1.285  -3.048
  Start of MODEL    7
    1    H    VAL   1           HT1      VAL   1  14.639   1.737  -6.642
    2    HA   VAL   1           HA       VAL   1  16.516  -0.527  -6.950
    3    HB   VAL   1           HB       VAL   1  18.328   1.028  -7.154
    4   HG11  VAL   1          1HG1      VAL   1  16.067   1.418  -9.075
    5   HG12  VAL   1          2HG1      VAL   1  17.565   0.511  -9.282
    6   HG13  VAL   1          3HG1      VAL   1  17.593   2.274  -9.296
    7   HG21  VAL   1          3HG2      VAL   1  18.137   3.381  -7.096
    8   HG22  VAL   1          1HG2      VAL   1  17.190   2.796  -5.729
    9   HG23  VAL   1          2HG2      VAL   1  16.378   3.319  -7.204
   10    HA   PRO   2           HA       PRO   2  16.984  -0.388  -2.570
   11    HB2  PRO   2           HB2      PRO   2  19.700  -0.451  -2.222
   12    HB3  PRO   2           HB1      PRO   2  18.731  -1.862  -2.659
   13    HG2  PRO   2           HG2      PRO   2  20.345  -0.056  -4.417
   14    HG3  PRO   2           HG1      PRO   2  20.219  -1.825  -4.444
   15    HD2  PRO   2           HD2      PRO   2  18.879  -0.295  -6.194
   16    HD3  PRO   2           HD1      PRO   2  18.176  -1.789  -5.537
   17    H    CYS   3           HN       CYS   3  18.277   2.084  -4.515
   18    HA   CYS   3           HA       CYS   3  18.680   4.291  -4.172
   19    HB2  CYS   3           HB2      CYS   3  17.579   4.051  -1.386
   20    HB3  CYS   3           HB1      CYS   3  17.487   5.415  -2.496
   21    H    ASP   4           HN       ASP   4  20.279   1.925  -2.594
   22    HA   ASP   4           HA       ASP   4  22.559   3.481  -2.087
   23    HB2  ASP   4           HB2      ASP   4  20.710   3.735  -0.030
   24    HB3  ASP   4           HB1      ASP   4  21.842   2.525   0.568
   25    H    ASN   5           HN       ASN   5  24.203   2.231  -0.722
   26    HA   ASN   5           HA       ASN   5  25.488   0.401  -0.411
   27    HB2  ASN   5           HB2      ASN   5  23.483  -0.350   0.904
   28    HB3  ASN   5           HB1      ASN   5  22.947  -1.232  -0.520
   29   HD21  ASN   5          1HD2      ASN   5  25.956  -0.796   1.317
   30   HD22  ASN   5          2HD2      ASN   5  26.361  -2.475   1.375
   31    H    VAL   6           HN       VAL   6  22.990  -1.154  -2.436
   32    HA   VAL   6           HA       VAL   6  25.016  -1.438  -4.545
   33    HB   VAL   6           HB       VAL   6  24.345  -3.715  -4.960
   34   HG11  VAL   6          1HG1      VAL   6  24.679  -4.564  -2.426
   35   HG12  VAL   6          2HG1      VAL   6  25.241  -2.898  -2.280
   36   HG13  VAL   6          3HG1      VAL   6  25.991  -3.983  -3.451
   37   HG21  VAL   6          3HG2      VAL   6  22.270  -3.219  -2.832
   38   HG22  VAL   6          1HG2      VAL   6  22.722  -4.833  -3.379
   39   HG23  VAL   6          2HG2      VAL   6  22.008  -3.685  -4.513
   40    H    SER   7           HN       SER   7  23.030  -3.032  -6.131
   41    HA   SER   7           HA       SER   7  20.923  -1.086  -6.629
   42    HG   SER   7           HG       SER   7  22.254   0.741  -8.329
   43    HB2  SER   7           HB2      SER   7  23.282  -1.094  -8.156
   44    HB3  SER   7           HB1      SER   7  22.063  -1.878  -9.162
   45    H    SER   8           HN       SER   8  19.571  -2.782  -5.865
   46    HA   SER   8           HA       SER   8  18.571  -4.454  -7.934
   47    HG   SER   8           HG       SER   8  19.665  -6.445  -8.484
   48    HB2  SER   8           HB2      SER   8  20.333  -5.647  -5.844
   49    HB3  SER   8           HB1      SER   8  18.908  -6.558  -6.341
   50    H    CYS   9           HN       CYS   9  16.727  -3.209  -7.347
   51    HA   CYS   9           HA       CYS   9  15.174  -4.455  -5.238
   52    HB2  CYS   9           HB2      CYS   9  16.237  -1.705  -5.055
   53    HB3  CYS   9           HB1      CYS   9  14.523  -1.868  -4.686
   54    HA   PRO  10           HA       PRO  10  12.652  -3.403  -8.921
   55    HB2  PRO  10           HB2      PRO  10  11.674  -6.074  -8.999
   56    HB3  PRO  10           HB1      PRO  10  12.845  -5.328 -10.085
   57    HG2  PRO  10           HG2      PRO  10  13.389  -7.382  -8.291
   58    HG3  PRO  10           HG1      PRO  10  14.597  -6.329  -9.048
   59    HD2  PRO  10           HD2      PRO  10  13.402  -6.189  -6.314
   60    HD3  PRO  10           HD1      PRO  10  15.057  -5.821  -6.848
   61    H    SER  11           HN       SER  11  10.240  -4.259  -9.331
   62    HA   SER  11           HA       SER  11   8.598  -3.091  -7.457
   63    HG   SER  11           HG       SER  11   7.812  -6.273  -8.700
   64    HB2  SER  11           HB2      SER  11   6.734  -4.156  -8.597
   65    HB3  SER  11           HB1      SER  11   7.937  -3.659  -9.787
   66    H    SER  12           HN       SER  12   6.814  -4.182  -6.204
   67    HA   SER  12           HA       SER  12   6.154  -5.469  -4.451
   68    HG   SER  12           HG       SER  12   5.503  -7.515  -4.038
   69    HB2  SER  12           HB2      SER  12   6.950  -7.266  -6.445
   70    HB3  SER  12           HB1      SER  12   7.714  -7.859  -4.970
   71    H    ASP  13           HN       ASP  13   8.898  -4.073  -4.618
   72    HA   ASP  13           HA       ASP  13   9.706  -4.732  -1.947
   73    HB2  ASP  13           HB2      ASP  13  11.113  -5.895  -4.223
   74    HB3  ASP  13           HB1      ASP  13  12.177  -4.941  -3.194
   75    H    THR  14           HN       THR  14  10.000  -2.791  -1.088
   76    HA   THR  14           HA       THR  14  11.045  -0.632  -2.789
   77    HB   THR  14           HB       THR  14   9.770   0.873  -1.665
   78    HG1  THR  14           HG1      THR  14  10.313  -0.726   0.602
   79   HG21  THR  14          3HG2      THR  14   8.363  -1.719  -1.021
   80   HG22  THR  14          1HG2      THR  14   8.138  -0.707  -2.449
   81   HG23  THR  14          2HG2      THR  14   7.628  -0.123  -0.865
   82    H    CYS  15           HN       CYS  15  12.584   0.851  -1.925
   83    HA   CYS  15           HA       CYS  15  14.549  -0.465  -0.254
   84    HB2  CYS  15           HB2      CYS  15  16.091   1.004  -1.120
   85    HB3  CYS  15           HB1      CYS  15  14.906   1.005  -2.423
   86    H    CYS  16           HN       CYS  16  14.819  -0.128   1.856
   87    HA   CYS  16           HA       CYS  16  13.887   2.380   3.046
   88    HG   CYS  16           HG       CYS  16  12.429  -0.497   1.725
   89    HB2  CYS  16           HB2      CYS  16  13.250   0.294   4.877
   90    HB3  CYS  16           HB1      CYS  16  12.159   1.438   4.101
   91    H    GLN  17           HN       GLN  17  14.614   2.549   5.380
   92    HA   GLN  17           HA       GLN  17  17.418   1.852   5.494
   93    HB2  GLN  17           HB2      GLN  17  15.859   3.960   6.477
   94    HB3  GLN  17           HB1      GLN  17  16.385   3.080   7.906
   95    HG2  GLN  17           HG2      GLN  17  18.705   3.209   6.549
   96    HG3  GLN  17           HG1      GLN  17  17.933   4.693   5.995
   97   HE21  GLN  17          1HE2      GLN  17  20.278   4.365   7.665
   98   HE22  GLN  17          2HE2      GLN  17  19.938   5.177   9.151
   99    H    LEU  18           HN       LEU  18  18.400   0.846   7.370
  100    HA   LEU  18           HA       LEU  18  16.688  -1.276   8.453
  101    HG   LEU  18           HG       LEU  18  17.407  -2.813   7.029
  102    HB2  LEU  18           HB2      LEU  18  19.485  -1.115   7.598
  103    HB3  LEU  18           HB1      LEU  18  19.265  -1.946   9.126
  104   HD11  LEU  18          1HD1      LEU  18  19.642  -4.252   6.323
  105   HD12  LEU  18          2HD1      LEU  18  20.250  -2.602   6.456
  106   HD13  LEU  18          3HD1      LEU  18  18.900  -2.959   5.379
  107   HD21  LEU  18          3HD2      LEU  18  19.252  -4.155   8.991
  108   HD22  LEU  18          1HD2      LEU  18  18.243  -5.038   7.846
  109   HD23  LEU  18          2HD2      LEU  18  17.496  -4.016   9.075
  110    H    THR  19           HN       THR  19  18.197  -2.069  10.614
  111    HA   THR  19           HA       THR  19  17.996   0.262  12.407
  112    HB   THR  19           HB       THR  19  17.662  -1.607  14.197
  113    HG1  THR  19           HG1      THR  19  17.734  -3.508  13.228
  114   HG21  THR  19          3HG2      THR  19  15.469  -0.952  12.227
  115   HG22  THR  19          1HG2      THR  19  15.973   0.068  13.573
  116   HG23  THR  19          2HG2      THR  19  15.246  -1.507  13.886
  117    H    SER  20           HN       SER  20  20.280  -1.187  10.868
  118    HA   SER  20           HA       SER  20  22.076  -1.424  13.193
  119    HG   SER  20           HG       SER  20  21.923  -3.467  13.413
  120    HB2  SER  20           HB2      SER  20  21.913  -3.037  10.670
  121    HB3  SER  20           HB1      SER  20  23.464  -2.858  11.491
  122    H    GLY  21           HN       GLY  21  21.434   0.075  10.168
  123    HA2  GLY  21           HA2      GLY  21  22.575   2.277   9.945
  124    HA3  GLY  21           HA1      GLY  21  24.066   1.414  10.289
  125    H    GLU  22           HN       GLU  22  21.684  -0.115   8.302
  126    HA   GLU  22           HA       GLU  22  23.172   0.632   5.878
  127    HB2  GLU  22           HB2      GLU  22  22.179  -2.175   6.286
  128    HB3  GLU  22           HB1      GLU  22  23.380  -1.586   5.145
  129    HG2  GLU  22           HG2      GLU  22  25.038  -1.932   6.576
  130    HG3  GLU  22           HG1      GLU  22  24.186  -1.101   7.876
  131    H    TRP  23           HN       TRP  23  21.844  -0.610   3.949
  132    HA   TRP  23           HA       TRP  23  19.025   0.165   4.325
  133    HD1  TRP  23           HD1      TRP  23  21.889   2.545   3.766
  134    HE1  TRP  23           HE1      TRP  23  21.053   4.930   4.259
  135    HE3  TRP  23           HE3      TRP  23  17.131   2.134   1.939
  136    HZ2  TRP  23           HZ2      TRP  23  18.689   6.436   3.919
  137    HZ3  TRP  23           HZ3      TRP  23  15.647   4.092   2.061
  138    HH2  TRP  23           HH2      TRP  23  16.412   6.199   3.031
  139    HB2  TRP  23           HB2      TRP  23  20.873   0.668   1.999
  140    HB3  TRP  23           HB1      TRP  23  19.123   0.685   1.805
  141    H    GLY  24           HN       GLY  24  17.451  -1.075   3.261
  142    HA2  GLY  24           HA2      GLY  24  18.259  -3.378   1.695
  143    HA3  GLY  24           HA1      GLY  24  17.602  -3.761   3.278
  144    H    CYS  25           HN       CYS  25  16.444  -4.633   0.891
  145    HA   CYS  25           HA       CYS  25  14.157  -2.913   0.375
  146    HB2  CYS  25           HB2      CYS  25  15.548  -4.953  -1.066
  147    HB3  CYS  25           HB1      CYS  25  13.863  -5.436  -0.903
  148    H    CYS  26           HN       CYS  26  12.112  -3.266   1.072
  149    HA   CYS  26           HA       CYS  26  11.748  -5.328   3.102
  150    HG   CYS  26           HG       CYS  26   9.716  -5.334   4.816
  151    HB2  CYS  26           HB2      CYS  26  11.001  -2.719   3.070
  152    HB3  CYS  26           HB1      CYS  26   9.521  -3.480   2.496
  153    HA   PRO  27           HA       PRO  27   9.646  -8.021   0.249
  154    HB2  PRO  27           HB2      PRO  27   8.379  -9.129   2.683
  155    HB3  PRO  27           HB1      PRO  27   9.362  -9.938   1.457
  156    HG2  PRO  27           HG2      PRO  27  10.332  -9.433   3.897
  157    HG3  PRO  27           HG1      PRO  27  11.356  -9.314   2.453
  158    HD2  PRO  27           HD2      PRO  27  10.072  -7.135   4.054
  159    HD3  PRO  27           HD1      PRO  27  11.688  -7.192   3.318
  160    H    ILE  28           HN       ILE  28   8.086  -6.015   2.601
  161    HA   ILE  28           HA       ILE  28   5.550  -6.263   1.117
  162    HB   ILE  28           HB       ILE  28   5.849  -5.479   4.016
  163   HG12  ILE  28          2HG1      ILE  28   6.431  -7.833   3.716
  164   HG13  ILE  28          1HG1      ILE  28   4.878  -7.685   4.530
  165   HG21  ILE  28          1HG2      ILE  28   3.775  -4.719   3.819
  166   HG22  ILE  28          2HG2      ILE  28   3.246  -6.356   3.427
  167   HG23  ILE  28          3HG2      ILE  28   3.704  -5.244   2.137
  168   HD11  ILE  28          3HD1      ILE  28   4.321  -7.830   1.783
  169   HD12  ILE  28          1HD1      ILE  28   4.014  -9.047   3.023
  170   HD13  ILE  28          2HD1      ILE  28   5.531  -9.068   2.123
  171    HA   PRO  29           HA       PRO  29   6.755  -1.977   0.196
  172    HB2  PRO  29           HB2      PRO  29   4.410  -2.159  -1.586
  173    HB3  PRO  29           HB1      PRO  29   6.083  -1.750  -1.973
  174    HG2  PRO  29           HG2      PRO  29   5.015  -4.095  -2.707
  175    HG3  PRO  29           HG1      PRO  29   6.712  -3.966  -2.202
  176    HD2  PRO  29           HD2      PRO  29   4.342  -4.945  -0.653
  177    HD3  PRO  29           HD1      PRO  29   5.987  -5.609  -0.730
  178    H    GLU  30           HN       GLU  30   5.954  -1.517   2.407
  179    HA   GLU  30           HA       GLU  30   3.267  -0.305   2.335
  180    HB2  GLU  30           HB2      GLU  30   3.942  -2.373   3.932
  181    HB3  GLU  30           HB1      GLU  30   4.423  -1.033   4.964
  182    HG2  GLU  30           HG2      GLU  30   2.326  -0.769   5.592
  183    HG3  GLU  30           HG1      GLU  30   1.867  -0.425   3.924
  184    H    ALA  31           HN       ALA  31   2.975   1.638   3.528
  185    HA   ALA  31           HA       ALA  31   3.525   3.727   4.234
  186    HB1  ALA  31           HB1      ALA  31   5.699   3.973   5.495
  187    HB2  ALA  31           HB2      ALA  31   5.968   2.257   5.189
  188    HB3  ALA  31           HB3      ALA  31   4.568   2.776   6.128
  189    H    VAL  32           HN       VAL  32   3.845   5.265   2.787
  190    HA   VAL  32           HA       VAL  32   5.557   5.004   0.556
  191    HB   VAL  32           HB       VAL  32   3.505   6.433   0.629
  192   HG11  VAL  32          1HG1      VAL  32   4.782   8.823   1.586
  193   HG12  VAL  32          2HG1      VAL  32   4.777   7.581   2.839
  194   HG13  VAL  32          3HG1      VAL  32   3.260   8.085   2.091
  195   HG21  VAL  32          3HG2      VAL  32   6.034   6.990  -0.608
  196   HG22  VAL  32          1HG2      VAL  32   5.161   8.494  -0.311
  197   HG23  VAL  32          2HG2      VAL  32   4.405   7.207  -1.249
  198    H    CYS  33           HN       CYS  33   6.179   5.915   3.768
  199    HA   CYS  33           HA       CYS  33   8.005   6.723   4.855
  200    HG   CYS  33           HG       CYS  33  11.461   4.838   4.218
  201    HB2  CYS  33           HB2      CYS  33   8.953   4.917   3.109
  202    HB3  CYS  33           HB1      CYS  33   9.779   6.347   2.501
  203    H    CYS  34           HN       CYS  34  10.335   7.972   3.481
  204    HA   CYS  34           HA       CYS  34  11.070  10.017   2.828
  205    HB2  CYS  34           HB2      CYS  34  10.002   9.956   0.770
  206    HB3  CYS  34           HB1      CYS  34   8.396   9.913   1.486
  207    H    SER  35           HN       SER  35  11.125  12.155   3.548
  208    HA   SER  35           HA       SER  35   9.012  12.964   5.421
  209    HG   SER  35           HG       SER  35   9.433  13.476   7.419
  210    HB2  SER  35           HB2      SER  35  11.138  11.924   6.510
  211    HB3  SER  35           HB1      SER  35  11.900  13.458   6.089
  212    H    ASP  36           HN       ASP  36   8.188  14.712   4.462
  213    HA   ASP  36           HA       ASP  36   9.840  16.517   2.925
  214    HB2  ASP  36           HB2      ASP  36   7.380  15.803   2.460
  215    HB3  ASP  36           HB1      ASP  36   6.971  17.046   3.639
  216    H    HIS  37           HN       HIS  37  11.018  18.027   3.885
  217    HA   HIS  37           HA       HIS  37   9.968  19.289   6.331
  218    HD1  HIS  37           HD1      HIS  37  13.886  16.864   6.195
  219    HD2  HIS  37           HD2      HIS  37  13.124  19.996   3.572
  220    HE1  HIS  37           HE1      HIS  37  15.495  16.551   4.288
  221    HE2  HIS  37           HE2      HIS  37  14.974  18.423   2.684
  222    HB2  HIS  37           HB2      HIS  37  12.438  19.922   6.679
  223    HB3  HIS  37           HB1      HIS  37  11.980  18.244   6.946
  224    H    GLN  38           HN       GLN  38   9.371  20.022   3.550
  225    HA   GLN  38           HA       GLN  38  10.418  22.775   3.606
  226    HB2  GLN  38           HB2      GLN  38  11.019  20.971   1.661
  227    HB3  GLN  38           HB1      GLN  38   9.577  21.715   0.985
  228    HG2  GLN  38           HG2      GLN  38  10.568  23.779   0.784
  229    HG3  GLN  38           HG1      GLN  38  11.761  23.447   2.039
  230   HE21  GLN  38          1HE2      GLN  38  13.461  24.091   0.717
  231   HE22  GLN  38          2HE2      GLN  38  14.020  23.126  -0.601
  232    H    HIS  39           HN       HIS  39   7.953  21.129   1.640
  233    HA   HIS  39           HA       HIS  39   6.061  23.243   2.384
  234    HD1  HIS  39           HD1      HIS  39   5.055  24.583   1.862
  235    HD2  HIS  39           HD2      HIS  39   4.532  23.187  -2.016
  236    HE1  HIS  39           HE1      HIS  39   3.770  26.384   0.666
  237    HE2  HIS  39           HE2      HIS  39   3.542  25.555  -1.702
  238    HB2  HIS  39           HB2      HIS  39   6.717  22.187  -0.082
  239    HB3  HIS  39           HB1      HIS  39   5.201  21.378   0.301
  240    H    CYS  40           HN       CYS  40   3.657  22.246   2.077
  241    HA   CYS  40           HA       CYS  40   3.522  20.067   4.048
  242    HG   CYS  40           HG       CYS  40   1.675  23.763   5.269
  243    HB2  CYS  40           HB2      CYS  40   1.094  21.652   3.434
  244    HB3  CYS  40           HB1      CYS  40   1.686  21.049   4.978
  245    H    CYS  41           HN       CYS  41   3.305  18.175   3.040
  246    HA   CYS  41           HA       CYS  41   1.231  17.952   0.961
  247    HB2  CYS  41           HB2      CYS  41   3.893  16.519   1.065
  248    HB3  CYS  41           HB1      CYS  41   2.614  16.174  -0.093
  249    HA   PRO  42           HA       PRO  42  -0.633  15.030   3.741
  250    HB2  PRO  42           HB2      PRO  42  -2.022  13.595   1.824
  251    HB3  PRO  42           HB1      PRO  42  -2.588  15.089   2.576
  252    HG2  PRO  42           HG2      PRO  42  -1.258  14.680  -0.067
  253    HG3  PRO  42           HG1      PRO  42  -2.586  15.773   0.366
  254    HD2  PRO  42           HD2      PRO  42  -0.075  16.667   0.050
  255    HD3  PRO  42           HD1      PRO  42  -1.155  17.349   1.285
  256    H    GLN  43           HN       GLN  43  -0.919  12.597   3.891
  257    HA   GLN  43           HA       GLN  43   1.620  11.359   3.283
  258    HB2  GLN  43           HB2      GLN  43  -0.244  11.108   5.333
  259    HB3  GLN  43           HB1      GLN  43  -0.384   9.598   4.443
  260    HG2  GLN  43           HG2      GLN  43   2.376  10.209   4.780
  261    HG3  GLN  43           HG1      GLN  43   1.564  10.342   6.340
  262   HE21  GLN  43          1HE2      GLN  43   2.119   8.537   7.368
  263   HE22  GLN  43          2HE2      GLN  43   1.885   6.934   6.768
  264    H    GLY  44           HN       GLY  44   0.543  11.823   0.896
  265    HA2  GLY  44           HA2      GLY  44  -0.126   9.120  -0.035
  266    HA3  GLY  44           HA1      GLY  44  -1.179  10.448  -0.496
  267    H    TYR  45           HN       TYR  45   2.109  11.299  -0.204
  268    HA   TYR  45           HA       TYR  45   2.654  10.799  -3.033
  269    HD1  TYR  45           HD1      TYR  45   1.641  11.926  -4.919
  270    HD2  TYR  45           HD2      TYR  45   0.711  14.535  -1.689
  271    HE1  TYR  45           HE1      TYR  45  -0.540  12.412  -5.946
  272    HE2  TYR  45           HE2      TYR  45  -1.472  15.027  -2.708
  273    HH   TYR  45           HH       TYR  45  -2.518  14.969  -4.942
  274    HB2  TYR  45           HB2      TYR  45   2.778  13.527  -1.733
  275    HB3  TYR  45           HB1      TYR  45   3.440  13.152  -3.319
  276    H    THR  46           HN       THR  46   4.983  11.643  -3.533
  277    HA   THR  46           HA       THR  46   6.721  10.964  -1.246
  278    HB   THR  46           HB       THR  46   7.573  10.372  -4.048
  279    HG1  THR  46           HG1      THR  46   6.395   8.274  -2.671
  280   HG21  THR  46          3HG2      THR  46   8.147   9.161  -1.342
  281   HG22  THR  46          1HG2      THR  46   9.238  10.137  -2.327
  282   HG23  THR  46          2HG2      THR  46   8.768   8.524  -2.865
  283    H    CYS  47           HN       CYS  47   8.842  11.900  -1.270
  284    HA   CYS  47           HA       CYS  47   8.844  14.573  -2.406
  285    HB2  CYS  47           HB2      CYS  47  11.088  14.655  -1.091
  286    HB3  CYS  47           HB1      CYS  47   9.573  14.639  -0.196
  287    H    VAL  48           HN       VAL  48   9.136  14.129  -4.613
  288    HA   VAL  48           HA       VAL  48  11.564  12.740  -5.434
  289    HB   VAL  48           HB       VAL  48  10.710  13.011  -7.729
  290   HG11  VAL  48          1HG1      VAL  48   9.801  11.044  -7.233
  291   HG12  VAL  48          2HG1      VAL  48   8.295  11.908  -6.924
  292   HG13  VAL  48          3HG1      VAL  48   9.403  11.563  -5.596
  293   HG21  VAL  48          3HG2      VAL  48   9.362  14.739  -8.137
  294   HG22  VAL  48          1HG2      VAL  48   8.986  14.941  -6.427
  295   HG23  VAL  48          2HG2      VAL  48   8.070  13.791  -7.401
  296    H    ALA  49           HN       ALA  49  12.446  13.923  -7.621
  297    HA   ALA  49           HA       ALA  49  13.974  16.078  -6.738
  298    HB1  ALA  49           HB1      ALA  49  14.929  15.013  -8.527
  299    HB2  ALA  49           HB2      ALA  49  14.248  16.428  -9.327
  300    HB3  ALA  49           HB3      ALA  49  13.405  14.881  -9.405
  301    H    GLU  50           HN       GLU  50  14.046  18.236  -7.962
  302    HA   GLU  50           HA       GLU  50  13.131  20.282  -8.333
  303    HB2  GLU  50           HB2      GLU  50  11.968  18.780 -10.144
  304    HB3  GLU  50           HB1      GLU  50  10.538  19.030  -9.153
  305    HG2  GLU  50           HG2      GLU  50  11.592  21.567  -9.435
  306    HG3  GLU  50           HG1      GLU  50  11.847  20.821 -11.012
  307    H    GLY  51           HN       GLY  51  12.447  18.528  -5.848
  308    HA2  GLY  51           HA2      GLY  51  11.305  18.805  -3.877
  309    HA3  GLY  51           HA1      GLY  51  11.278  20.510  -4.297
  310    H    GLN  52           HN       GLN  52   9.657  17.551  -5.470
  311    HA   GLN  52           HA       GLN  52   7.086  18.930  -5.083
  312    HB2  GLN  52           HB2      GLN  52   8.238  17.861  -7.553
  313    HB3  GLN  52           HB1      GLN  52   6.618  17.265  -7.225
  314    HG2  GLN  52           HG2      GLN  52   7.158  20.184  -7.012
  315    HG3  GLN  52           HG1      GLN  52   6.990  19.448  -8.606
  316   HE21  GLN  52          1HE2      GLN  52   5.061  17.591  -8.206
  317   HE22  GLN  52          2HE2      GLN  52   3.574  18.354  -7.767
  318    H    CYS  53           HN       CYS  53   5.299  17.595  -4.620
  319    HA   CYS  53           HA       CYS  53   6.055  14.978  -3.518
  320    HB2  CYS  53           HB2      CYS  53   3.506  16.491  -2.950
  321    HB3  CYS  53           HB1      CYS  53   4.217  15.177  -2.020
  322    H    GLN  54           HN       GLN  54   5.615  13.305  -4.769
  323    HA   GLN  54           HA       GLN  54   2.985  12.964  -5.897
  324    HB2  GLN  54           HB2      GLN  54   3.638  13.983  -7.835
  325    HB3  GLN  54           HB1      GLN  54   5.342  13.652  -7.563
  326    HG2  GLN  54           HG2      GLN  54   5.265  11.643  -8.620
  327    HG3  GLN  54           HG1      GLN  54   3.581  11.352  -8.189
  328   HE21  GLN  54          1HE2      GLN  54   5.548  11.869 -10.705
  329   HE22  GLN  54          2HE2      GLN  54   4.452  12.611 -11.815
  330    H    LYS  55           HN       LYS  55   2.583  10.792  -6.588
  331    HA   LYS  55           HA       LYS  55   4.110   8.861  -5.106
  332    HB2  LYS  55           HB2      LYS  55   1.498   9.011  -5.811
  333    HB3  LYS  55           HB1      LYS  55   2.092   7.908  -7.045
  334    HG2  LYS  55           HG2      LYS  55   1.355   6.529  -5.311
  335    HG3  LYS  55           HG1      LYS  55   3.110   6.571  -5.134
  336    HD2  LYS  55           HD2      LYS  55   3.017   7.917  -3.250
  337    HD3  LYS  55           HD1      LYS  55   1.411   8.530  -3.644
  338    HE2  LYS  55           HE2      LYS  55   1.929   5.661  -2.904
  339    HE3  LYS  55           HE1      LYS  55   1.549   6.901  -1.710
  340    HZ1  LYS  55           HZ1      LYS  55  -0.165   5.984  -3.949
  341    HZ2  LYS  55           HZ2      LYS  55  -0.512   7.342  -3.003
  342    HZ3  LYS  55           HZ3      LYS  55  -0.459   5.809  -2.292
  343    H    LEU  56           HN       LEU  56   5.101   6.967  -5.993
  344    HA   LEU  56           HA       LEU  56   6.245   7.460  -8.654
  345    HG   LEU  56           HG       LEU  56   6.797   7.511  -5.500
  346    HB2  LEU  56           HB2      LEU  56   7.552   5.323  -7.273
  347    HB3  LEU  56           HB1      LEU  56   8.207   6.861  -7.799
  348   HD11  LEU  56          1HD1      LEU  56   7.454   4.715  -5.427
  349   HD12  LEU  56          2HD1      LEU  56   6.590   5.696  -4.243
  350   HD13  LEU  56          3HD1      LEU  56   8.350   5.591  -4.186
  351   HD21  LEU  56          3HD2      LEU  56   9.535   6.973  -4.882
  352   HD22  LEU  56          1HD2      LEU  56   8.741   8.524  -5.156
  353   HD23  LEU  56          2HD2      LEU  56   9.422   7.629  -6.515
  354    H    ALA  57           HN       ALA  57   6.668   5.588 -10.025
  355    HA   ALA  57           HA       ALA  57   5.142   3.178  -9.534
  356    HB1  ALA  57           HB1      ALA  57   3.750   5.160 -10.715
  357    HB2  ALA  57           HB2      ALA  57   3.465   3.447 -11.020
  358    HB3  ALA  57           HB3      ALA  57   4.457   4.387 -12.133
  359    H    ALA  58           HN       ALA  58   7.407   5.051 -11.354
  360    HA   ALA  58           HA       ALA  58   8.504   2.570 -12.493
  361    HB1  ALA  58           HB1      ALA  58   9.211   4.532 -14.310
  362    HB2  ALA  58           HB2      ALA  58   7.533   4.904 -13.917
  363    HB3  ALA  58           HB3      ALA  58   7.961   3.305 -14.526
  364    H    ALA  59           HN       ALA  59  10.707   2.377 -12.457
  365    HA   ALA  59           HA       ALA  59  12.247   4.657 -11.416
  366    HB1  ALA  59           HB1      ALA  59  13.443   3.255  -9.893
  367    HB2  ALA  59           HB2      ALA  59  12.650   1.809 -10.518
  368    HB3  ALA  59           HB3      ALA  59  11.719   3.007  -9.619
  369    H    LEU  60           HN       LEU  60  12.659   4.820 -13.784
  370    HA   LEU  60           HA       LEU  60  14.656   2.878 -14.724
  371    HG   LEU  60           HG       LEU  60  14.176   2.117 -17.043
  372    HB2  LEU  60           HB2      LEU  60  12.573   4.467 -16.022
  373    HB3  LEU  60           HB1      LEU  60  14.121   4.563 -16.841
  374   HD11  LEU  60          1HD1      LEU  60  11.767   1.093 -16.594
  375   HD12  LEU  60          2HD1      LEU  60  11.755   2.342 -15.349
  376   HD13  LEU  60          3HD1      LEU  60  13.025   1.119 -15.358
  377   HD21  LEU  60          3HD2      LEU  60  12.981   3.722 -18.681
  378   HD22  LEU  60          1HD2      LEU  60  11.501   2.994 -18.056
  379   HD23  LEU  60          2HD2      LEU  60  12.718   1.986 -18.839
  380    H    GLU  61           HN       GLU  61  15.926   4.444 -16.631
  381    HA   GLU  61           HA       GLU  61  17.853   5.788 -15.048
  382    HB2  GLU  61           HB2      GLU  61  17.996   4.667 -17.445
  383    HB3  GLU  61           HB1      GLU  61  17.661   6.307 -17.980
  384    HG2  GLU  61           HG2      GLU  61  19.623   6.837 -16.260
  385    HG3  GLU  61           HG1      GLU  61  20.069   5.184 -16.684
  386    H    HIS  62           HN       HIS  62  16.300   7.308 -17.846
  387    HA   HIS  62           HA       HIS  62  15.381   9.525 -16.196
  388    HD1  HIS  62           HD1      HIS  62  19.576  10.364 -16.690
  389    HD2  HIS  62           HD2      HIS  62  15.977  11.813 -15.203
  390    HE1  HIS  62           HE1      HIS  62  20.171  11.616 -14.591
  391    HE2  HIS  62           HE2      HIS  62  17.988  12.567 -13.766
  392    HB2  HIS  62           HB2      HIS  62  17.668   9.651 -18.073
  393    HB3  HIS  62           HB1      HIS  62  16.512  10.974 -18.178
  394    H    HIS  63           HN       HIS  63  14.643  11.319 -18.058
  395    HA   HIS  63           HA       HIS  63  12.506   9.917 -19.438
  396    HD1  HIS  63           HD1      HIS  63  10.604  10.306 -17.811
  397    HD2  HIS  63           HD2      HIS  63  12.645  13.750 -16.698
  398    HE1  HIS  63           HE1      HIS  63   9.943  10.738 -15.423
  399    HE2  HIS  63           HE2      HIS  63  11.170  12.842 -14.778
  400    HB2  HIS  63           HB2      HIS  63  13.037  12.889 -19.217
  401    HB3  HIS  63           HB1      HIS  63  11.563  12.138 -19.822
  402    H    HIS  64           HN       HIS  64  14.257   8.947 -20.860
  403    HA   HIS  64           HA       HIS  64  14.649  10.691 -23.200
  404    HD1  HIS  64           HD1      HIS  64  15.604  11.803 -24.115
  405    HD2  HIS  64           HD2      HIS  64  19.258  10.077 -23.146
  406    HE1  HIS  64           HE1      HIS  64  17.344  13.272 -25.180
  407    HE2  HIS  64           HE2      HIS  64  19.544  12.170 -24.638
  408    HB2  HIS  64           HB2      HIS  64  16.664   9.562 -21.607
  409    HB3  HIS  64           HB1      HIS  64  16.615   8.572 -23.061
  410    H    HIS  65           HN       HIS  65  12.444   9.552 -23.504
  411    HA   HIS  65           HA       HIS  65  11.156   8.058 -24.637
  412    HD1  HIS  65           HD1      HIS  65  13.205   9.825 -27.958
  413    HD2  HIS  65           HD2      HIS  65   9.798   7.766 -26.766
  414    HE1  HIS  65           HE1      HIS  65  11.329  10.772 -29.340
  415    HE2  HIS  65           HE2      HIS  65   9.266   9.557 -28.555
  416    HB2  HIS  65           HB2      HIS  65  13.682   8.252 -26.119
  417    HB3  HIS  65           HB1      HIS  65  12.785   6.772 -26.439
  418    H    HIS  66           HN       HIS  66  11.930   5.550 -25.813
  419    HA   HIS  66           HA       HIS  66  11.986   3.949 -23.387
  420    HD1  HIS  66           HD1      HIS  66   9.240   4.068 -23.606
  421    HD2  HIS  66           HD2      HIS  66   9.849   3.880 -27.712
  422    HE1  HIS  66           HE1      HIS  66   7.197   5.111 -24.638
  423    HE2  HIS  66           HE2      HIS  66   7.564   4.940 -27.124
  424    HB2  HIS  66           HB2      HIS  66  11.780   2.818 -26.162
  425    HB3  HIS  66           HB1      HIS  66  11.108   2.195 -24.660
  426    H    HIS  67           HN       HIS  67  13.394   2.111 -23.149
  427    HA   HIS  67           HA       HIS  67  16.092   2.714 -23.968
  428    HD1  HIS  67           HD1      HIS  67  17.441  -0.895 -23.168
  429    HD2  HIS  67           HD2      HIS  67  17.937   2.736 -21.210
  430    HE1  HIS  67           HE1      HIS  67  19.878  -0.790 -22.553
  431    HE2  HIS  67           HE2      HIS  67  20.134   1.376 -21.292
  432    HB2  HIS  67           HB2      HIS  67  15.340   1.814 -21.678
  433    HB3  HIS  67           HB1      HIS  67  15.225   0.247 -22.472
  Start of MODEL    8
    1    H    VAL   1           HT1      VAL   1  14.050   3.109 -10.240
    2    HA   VAL   1           HA       VAL   1  14.198   2.906  -7.813
    3    HB   VAL   1           HB       VAL   1  15.497   0.613  -7.932
    4   HG11  VAL   1          1HG1      VAL   1  13.474  -0.390  -9.036
    5   HG12  VAL   1          2HG1      VAL   1  12.914   1.254  -9.338
    6   HG13  VAL   1          3HG1      VAL   1  13.135   0.689  -7.683
    7   HG21  VAL   1          3HG2      VAL   1  16.123   1.643 -10.434
    8   HG22  VAL   1          1HG2      VAL   1  14.861   0.454 -10.751
    9   HG23  VAL   1          2HG2      VAL   1  16.328  -0.024  -9.898
   10    HA   PRO   2           HA       PRO   2  18.582   4.200  -6.979
   11    HB2  PRO   2           HB2      PRO   2  18.182   6.627  -5.936
   12    HB3  PRO   2           HB1      PRO   2  18.193   6.373  -7.686
   13    HG2  PRO   2           HG2      PRO   2  15.885   6.766  -5.842
   14    HG3  PRO   2           HG1      PRO   2  16.106   7.338  -7.504
   15    HD2  PRO   2           HD2      PRO   2  14.640   5.086  -6.720
   16    HD3  PRO   2           HD1      PRO   2  15.193   5.445  -8.367
   17    H    CYS   3           HN       CYS   3  18.958   2.814  -5.303
   18    HA   CYS   3           HA       CYS   3  18.054   3.691  -2.653
   19    HB2  CYS   3           HB2      CYS   3  17.854   0.893  -3.771
   20    HB3  CYS   3           HB1      CYS   3  17.791   1.237  -2.045
   21    H    ASP   4           HN       ASP   4  20.274   4.570  -2.763
   22    HA   ASP   4           HA       ASP   4  22.468   4.560  -2.169
   23    HB2  ASP   4           HB2      ASP   4  21.975   1.915  -0.817
   24    HB3  ASP   4           HB1      ASP   4  23.088   3.195  -0.345
   25    H    ASN   5           HN       ASN   5  24.280   2.446  -1.760
   26    HA   ASN   5           HA       ASN   5  24.444   1.315  -4.477
   27    HB2  ASN   5           HB2      ASN   5  26.167   3.002  -4.085
   28    HB3  ASN   5           HB1      ASN   5  26.684   2.162  -2.626
   29   HD21  ASN   5          1HD2      ASN   5  28.633   1.400  -3.044
   30   HD22  ASN   5          2HD2      ASN   5  29.076   0.464  -4.427
   31    H    VAL   6           HN       VAL   6  25.558  -0.738  -4.681
   32    HA   VAL   6           HA       VAL   6  25.999  -2.902  -4.147
   33    HB   VAL   6           HB       VAL   6  25.967  -2.119  -1.235
   34   HG11  VAL   6          1HG1      VAL   6  27.758  -3.983  -1.252
   35   HG12  VAL   6          2HG1      VAL   6  27.045  -4.433  -2.801
   36   HG13  VAL   6          3HG1      VAL   6  26.056  -4.436  -1.340
   37   HG21  VAL   6          3HG2      VAL   6  28.604  -2.190  -1.974
   38   HG22  VAL   6          1HG2      VAL   6  27.649  -0.728  -1.733
   39   HG23  VAL   6          2HG2      VAL   6  27.843  -1.398  -3.353
   40    H    SER   7           HN       SER   7  23.275  -1.249  -3.085
   41    HA   SER   7           HA       SER   7  21.882  -3.789  -2.549
   42    HG   SER   7           HG       SER   7  22.621  -1.712   0.114
   43    HB2  SER   7           HB2      SER   7  20.428  -1.574  -1.454
   44    HB3  SER   7           HB1      SER   7  21.115  -2.965  -0.614
   45    H    SER   8           HN       SER   8  20.817  -4.249  -4.370
   46    HA   SER   8           HA       SER   8  19.308  -2.081  -5.677
   47    HG   SER   8           HG       SER   8  20.497  -5.226  -7.945
   48    HB2  SER   8           HB2      SER   8  19.722  -3.010  -7.765
   49    HB3  SER   8           HB1      SER   8  21.229  -3.368  -6.922
   50    H    CYS   9           HN       CYS   9  17.213  -2.521  -6.426
   51    HA   CYS   9           HA       CYS   9  15.977  -5.062  -5.759
   52    HB2  CYS   9           HB2      CYS   9  15.838  -2.931  -3.938
   53    HB3  CYS   9           HB1      CYS   9  14.281  -2.936  -4.762
   54    HA   PRO  10           HA       PRO  10  13.593  -3.920  -9.308
   55    HB2  PRO  10           HB2      PRO  10  11.578  -5.671  -9.185
   56    HB3  PRO  10           HB1      PRO  10  13.244  -6.208  -9.434
   57    HG2  PRO  10           HG2      PRO  10  11.590  -6.248  -6.948
   58    HG3  PRO  10           HG1      PRO  10  12.736  -7.457  -7.552
   59    HD2  PRO  10           HD2      PRO  10  13.287  -5.561  -5.600
   60    HD3  PRO  10           HD1      PRO  10  14.503  -6.424  -6.556
   61    H    SER  11           HN       SER  11  11.161  -3.584  -9.954
   62    HA   SER  11           HA       SER  11  10.165  -1.482  -8.245
   63    HG   SER  11           HG       SER  11   7.924  -0.611  -9.577
   64    HB2  SER  11           HB2      SER  11  10.247  -1.593 -10.874
   65    HB3  SER  11           HB1      SER  11   8.702  -2.422 -10.683
   66    H    SER  12           HN       SER  12   9.910  -4.634  -7.904
   67    HA   SER  12           HA       SER  12   7.028  -4.739  -7.409
   68    HG   SER  12           HG       SER  12   7.452  -7.285  -9.259
   69    HB2  SER  12           HB2      SER  12   9.069  -6.965  -7.204
   70    HB3  SER  12           HB1      SER  12   7.314  -7.138  -7.177
   71    H    ASP  13           HN       ASP  13   9.592  -3.668  -5.766
   72    HA   ASP  13           HA       ASP  13   8.310  -4.103  -3.208
   73    HB2  ASP  13           HB2      ASP  13  10.629  -4.784  -2.240
   74    HB3  ASP  13           HB1      ASP  13   9.640  -6.013  -3.022
   75    H    THR  14           HN       THR  14  10.049  -3.124  -1.466
   76    HA   THR  14           HA       THR  14  11.056  -0.597  -2.583
   77    HB   THR  14           HB       THR  14   8.975   0.034  -1.602
   78    HG1  THR  14           HG1      THR  14  10.751   1.393  -1.057
   79   HG21  THR  14          3HG2      THR  14   9.489  -2.117   0.182
   80   HG22  THR  14          1HG2      THR  14   8.021  -1.151   0.026
   81   HG23  THR  14          2HG2      THR  14   9.291  -0.653   1.144
   82    H    CYS  15           HN       CYS  15  12.808   0.333  -1.488
   83    HA   CYS  15           HA       CYS  15  14.282  -1.558   0.201
   84    HB2  CYS  15           HB2      CYS  15  15.812   0.757  -0.605
   85    HB3  CYS  15           HB1      CYS  15  16.109  -0.946  -0.940
   86    H    CYS  16           HN       CYS  16  14.045  -1.232   2.310
   87    HA   CYS  16           HA       CYS  16  13.729   1.508   3.312
   88    HG   CYS  16           HG       CYS  16  10.521   0.118   5.234
   89    HB2  CYS  16           HB2      CYS  16  12.718  -1.116   4.142
   90    HB3  CYS  16           HB1      CYS  16  13.334  -0.146   5.475
   91    H    GLN  17           HN       GLN  17  14.828   2.053   5.352
   92    HA   GLN  17           HA       GLN  17  17.570   1.021   5.322
   93    HB2  GLN  17           HB2      GLN  17  17.314   3.435   5.059
   94    HB3  GLN  17           HB1      GLN  17  16.413   3.523   6.565
   95    HG2  GLN  17           HG2      GLN  17  18.369   2.865   7.817
   96    HG3  GLN  17           HG1      GLN  17  19.283   2.650   6.324
   97   HE21  GLN  17          1HE2      GLN  17  17.909   4.932   8.547
   98   HE22  GLN  17          2HE2      GLN  17  18.724   6.328   7.938
   99    H    LEU  18           HN       LEU  18  18.642   0.402   7.229
  100    HA   LEU  18           HA       LEU  18  16.856  -0.258   9.477
  101    HG   LEU  18           HG       LEU  18  17.065  -2.116   7.177
  102    HB2  LEU  18           HB2      LEU  18  19.240  -1.801   8.451
  103    HB3  LEU  18           HB1      LEU  18  18.343  -2.198   9.904
  104   HD11  LEU  18          1HD1      LEU  18  18.330  -4.438   8.621
  105   HD12  LEU  18          2HD1      LEU  18  18.796  -3.770   7.056
  106   HD13  LEU  18          3HD1      LEU  18  17.247  -4.593   7.238
  107   HD21  LEU  18          3HD2      LEU  18  16.199  -2.748   9.918
  108   HD22  LEU  18          1HD2      LEU  18  15.669  -3.879   8.672
  109   HD23  LEU  18          2HD2      LEU  18  15.270  -2.167   8.536
  110    H    THR  19           HN       THR  19  17.829  -0.292  11.595
  111    HA   THR  19           HA       THR  19  19.533   1.944  12.043
  112    HB   THR  19           HB       THR  19  17.940   1.512  13.739
  113    HG1  THR  19           HG1      THR  19  19.610   2.151  14.919
  114   HG21  THR  19          3HG2      THR  19  17.318  -0.719  13.532
  115   HG22  THR  19          1HG2      THR  19  18.178  -0.704  15.072
  116   HG23  THR  19          2HG2      THR  19  18.982  -1.295  13.618
  117    H    SER  20           HN       SER  20  20.141  -1.317  11.328
  118    HA   SER  20           HA       SER  20  22.628  -1.573  12.730
  119    HG   SER  20           HG       SER  20  20.138  -3.177  10.681
  120    HB2  SER  20           HB2      SER  20  22.891  -3.573  11.122
  121    HB3  SER  20           HB1      SER  20  21.562  -3.624  12.279
  122    H    GLY  21           HN       GLY  21  21.798   0.366  10.246
  123    HA2  GLY  21           HA2      GLY  21  23.231   1.731   9.010
  124    HA3  GLY  21           HA1      GLY  21  24.563   0.656   9.408
  125    H    GLU  22           HN       GLU  22  22.139  -1.298   8.404
  126    HA   GLU  22           HA       GLU  22  23.183  -1.341   5.655
  127    HB2  GLU  22           HB2      GLU  22  22.286  -3.458   7.545
  128    HB3  GLU  22           HB1      GLU  22  21.984  -3.719   5.833
  129    HG2  GLU  22           HG2      GLU  22  24.026  -4.610   5.822
  130    HG3  GLU  22           HG1      GLU  22  24.582  -2.937   5.800
  131    H    TRP  23           HN       TRP  23  21.575  -2.228   4.023
  132    HA   TRP  23           HA       TRP  23  18.919  -1.053   4.534
  133    HD1  TRP  23           HD1      TRP  23  21.843   0.887   3.892
  134    HE1  TRP  23           HE1      TRP  23  21.303   3.394   4.111
  135    HE3  TRP  23           HE3      TRP  23  17.224   0.916   1.700
  136    HZ2  TRP  23           HZ2      TRP  23  19.197   5.151   3.443
  137    HZ3  TRP  23           HZ3      TRP  23  16.013   3.050   1.532
  138    HH2  TRP  23           HH2      TRP  23  16.979   5.123   2.385
  139    HB2  TRP  23           HB2      TRP  23  20.675  -0.973   2.099
  140    HB3  TRP  23           HB1      TRP  23  18.930  -0.791   1.948
  141    H    GLY  24           HN       GLY  24  17.107  -2.139   3.786
  142    HA2  GLY  24           HA2      GLY  24  17.565  -4.792   2.587
  143    HA3  GLY  24           HA1      GLY  24  16.563  -4.638   4.022
  144    H    CYS  25           HN       CYS  25  15.391  -5.814   1.959
  145    HA   CYS  25           HA       CYS  25  13.682  -3.723   0.778
  146    HB2  CYS  25           HB2      CYS  25  14.686  -6.318  -0.356
  147    HB3  CYS  25           HB1      CYS  25  13.214  -5.578  -0.974
  148    H    CYS  26           HN       CYS  26  11.553  -3.822   1.167
  149    HA   CYS  26           HA       CYS  26  10.166  -6.245   1.745
  150    HG   CYS  26           HG       CYS  26  10.259  -7.840   3.363
  151    HB2  CYS  26           HB2      CYS  26  11.426  -5.006   3.944
  152    HB3  CYS  26           HB1      CYS  26   9.711  -4.640   4.092
  153    HA   PRO  27           HA       PRO  27   7.381  -2.981   0.199
  154    HB2  PRO  27           HB2      PRO  27   5.992  -4.511  -1.496
  155    HB3  PRO  27           HB1      PRO  27   7.627  -3.965  -1.890
  156    HG2  PRO  27           HG2      PRO  27   6.716  -6.623  -0.860
  157    HG3  PRO  27           HG1      PRO  27   7.905  -6.261  -2.123
  158    HD2  PRO  27           HD2      PRO  27   8.550  -6.887   0.479
  159    HD3  PRO  27           HD1      PRO  27   9.590  -5.945  -0.609
  160    H    ILE  28           HN       ILE  28   6.947  -3.920   2.723
  161    HA   ILE  28           HA       ILE  28   5.372  -4.475   4.272
  162    HB   ILE  28           HB       ILE  28   3.207  -3.694   2.363
  163   HG12  ILE  28          2HG1      ILE  28   4.756  -1.553   3.766
  164   HG13  ILE  28          1HG1      ILE  28   5.363  -2.177   2.235
  165   HG21  ILE  28          1HG2      ILE  28   2.150  -3.901   4.327
  166   HG22  ILE  28          2HG2      ILE  28   2.850  -2.324   4.692
  167   HG23  ILE  28          3HG2      ILE  28   3.647  -3.794   5.253
  168   HD11  ILE  28          3HD1      ILE  28   2.695  -1.695   1.729
  169   HD12  ILE  28          1HD1      ILE  28   4.056  -0.675   1.262
  170   HD13  ILE  28          2HD1      ILE  28   3.184  -0.350   2.762
  171    HA   PRO  29           HA       PRO  29   4.089  -8.320   1.880
  172    HB2  PRO  29           HB2      PRO  29   6.218  -9.818   3.119
  173    HB3  PRO  29           HB1      PRO  29   5.967  -9.484   1.407
  174    HG2  PRO  29           HG2      PRO  29   8.035  -8.455   2.895
  175    HG3  PRO  29           HG1      PRO  29   7.400  -7.708   1.417
  176    HD2  PRO  29           HD2      PRO  29   6.873  -7.007   4.280
  177    HD3  PRO  29           HD1      PRO  29   7.079  -5.940   2.872
  178    H    GLU  30           HN       GLU  30   3.015  -7.241   4.237
  179    HA   GLU  30           HA       GLU  30   2.444  -9.702   5.700
  180    HB2  GLU  30           HB2      GLU  30   4.237  -8.075   6.809
  181    HB3  GLU  30           HB1      GLU  30   2.785  -7.239   7.341
  182    HG2  GLU  30           HG2      GLU  30   2.060  -9.634   8.108
  183    HG3  GLU  30           HG1      GLU  30   3.795  -9.940   8.070
  184    H    ALA  31           HN       ALA  31   0.333  -9.938   6.103
  185    HA   ALA  31           HA       ALA  31  -1.406  -7.644   6.420
  186    HB1  ALA  31           HB1      ALA  31  -2.122  -9.574   4.241
  187    HB2  ALA  31           HB2      ALA  31  -1.151  -8.138   3.914
  188    HB3  ALA  31           HB3      ALA  31  -2.782  -7.972   4.565
  189    H    VAL  32           HN       VAL  32  -3.837  -8.692   6.320
  190    HA   VAL  32           HA       VAL  32  -3.813 -10.595   8.507
  191    HB   VAL  32           HB       VAL  32  -6.257 -10.228   8.576
  192   HG11  VAL  32          1HG1      VAL  32  -6.163  -7.806   9.166
  193   HG12  VAL  32          2HG1      VAL  32  -4.528  -7.761   8.508
  194   HG13  VAL  32          3HG1      VAL  32  -4.889  -8.779   9.901
  195   HG21  VAL  32          3HG2      VAL  32  -6.846  -8.097   7.050
  196   HG22  VAL  32          1HG2      VAL  32  -7.130  -9.762   6.543
  197   HG23  VAL  32          2HG2      VAL  32  -5.686  -8.907   5.998
  198    H    CYS  33           HN       CYS  33  -2.873 -11.636   6.058
  199    HA   CYS  33           HA       CYS  33  -3.040 -13.482   4.752
  200    HG   CYS  33           HG       CYS  33  -3.824 -15.141   8.524
  201    HB2  CYS  33           HB2      CYS  33  -5.305 -14.224   6.614
  202    HB3  CYS  33           HB1      CYS  33  -4.473 -15.319   5.513
  203    H    CYS  34           HN       CYS  34  -3.647 -12.412   2.883
  204    HA   CYS  34           HA       CYS  34  -6.151 -13.165   1.781
  205    HB2  CYS  34           HB2      CYS  34  -6.601 -11.063   3.282
  206    HB3  CYS  34           HB1      CYS  34  -5.878 -10.185   1.938
  207    H    SER  35           HN       SER  35  -3.204 -11.318   1.628
  208    HA   SER  35           HA       SER  35  -1.888 -10.603  -0.092
  209    HG   SER  35           HG       SER  35  -2.745 -14.002  -2.107
  210    HB2  SER  35           HB2      SER  35  -1.443 -12.302  -1.812
  211    HB3  SER  35           HB1      SER  35  -1.522 -13.028  -0.208
  212    H    ASP  36           HN       ASP  36  -3.336  -8.794  -0.500
  213    HA   ASP  36           HA       ASP  36  -4.807  -9.055  -3.038
  214    HB2  ASP  36           HB2      ASP  36  -5.905  -6.868  -2.246
  215    HB3  ASP  36           HB1      ASP  36  -6.365  -8.355  -1.424
  216    H    HIS  37           HN       HIS  37  -5.016  -6.507  -3.861
  217    HA   HIS  37           HA       HIS  37  -2.441  -5.193  -3.803
  218    HD1  HIS  37           HD1      HIS  37  -0.846  -4.255  -6.851
  219    HD2  HIS  37           HD2      HIS  37  -0.505  -7.846  -4.788
  220    HE1  HIS  37           HE1      HIS  37   1.622  -4.700  -6.682
  221    HE2  HIS  37           HE2      HIS  37   1.808  -6.850  -5.380
  222    HB2  HIS  37           HB2      HIS  37  -3.026  -7.075  -5.855
  223    HB3  HIS  37           HB1      HIS  37  -3.062  -5.471  -6.578
  224    H    GLN  38           HN       GLN  38  -5.007  -5.193  -6.257
  225    HA   GLN  38           HA       GLN  38  -5.208  -2.360  -6.246
  226    HB2  GLN  38           HB2      GLN  38  -5.772  -4.045  -8.133
  227    HB3  GLN  38           HB1      GLN  38  -7.334  -4.181  -7.339
  228    HG2  GLN  38           HG2      GLN  38  -7.636  -2.584  -9.016
  229    HG3  GLN  38           HG1      GLN  38  -7.480  -1.655  -7.526
  230   HE21  GLN  38          1HE2      GLN  38  -6.910   0.160  -8.794
  231   HE22  GLN  38          2HE2      GLN  38  -5.317   0.329  -9.439
  232    H    HIS  39           HN       HIS  39  -7.768  -4.733  -5.508
  233    HA   HIS  39           HA       HIS  39  -9.223  -2.781  -3.973
  234    HD1  HIS  39           HD1      HIS  39  -8.843  -5.296  -6.805
  235    HD2  HIS  39           HD2      HIS  39 -12.514  -3.700  -5.690
  236    HE1  HIS  39           HE1      HIS  39 -10.057  -4.834  -8.958
  237    HE2  HIS  39           HE2      HIS  39 -12.292  -3.906  -8.259
  238    HB2  HIS  39           HB2      HIS  39  -9.758  -5.749  -4.203
  239    HB3  HIS  39           HB1      HIS  39 -10.892  -4.504  -3.689
  240    H    CYS  40           HN       CYS  40  -7.546  -2.341  -2.395
  241    HA   CYS  40           HA       CYS  40  -7.131  -4.460  -0.415
  242    HG   CYS  40           HG       CYS  40  -6.611  -0.510  -0.039
  243    HB2  CYS  40           HB2      CYS  40  -5.106  -3.561   0.004
  244    HB3  CYS  40           HB1      CYS  40  -5.340  -2.727  -1.527
  245    H    CYS  41           HN       CYS  41  -7.413  -4.042   1.824
  246    HA   CYS  41           HA       CYS  41  -9.599  -2.172   2.354
  247    HB2  CYS  41           HB2      CYS  41  -8.508  -4.426   4.055
  248    HB3  CYS  41           HB1      CYS  41  -9.942  -3.470   4.410
  249    HA   PRO  42           HA       PRO  42  -7.132   0.534   4.828
  250    HB2  PRO  42           HB2      PRO  42  -8.735   1.216   6.882
  251    HB3  PRO  42           HB1      PRO  42  -9.072   1.718   5.220
  252    HG2  PRO  42           HG2      PRO  42 -10.259  -0.537   6.795
  253    HG3  PRO  42           HG1      PRO  42 -11.067   0.636   5.738
  254    HD2  PRO  42           HD2      PRO  42 -10.432  -1.893   4.951
  255    HD3  PRO  42           HD1      PRO  42 -10.518  -0.519   3.830
  256    H    GLN  43           HN       GLN  43  -6.452  -2.158   5.349
  257    HA   GLN  43           HA       GLN  43  -5.256  -3.417   6.806
  258    HB2  GLN  43           HB2      GLN  43  -4.948  -0.677   7.791
  259    HB3  GLN  43           HB1      GLN  43  -4.716  -1.900   9.032
  260    HG2  GLN  43           HG2      GLN  43  -3.305  -1.985   6.384
  261    HG3  GLN  43           HG1      GLN  43  -2.656  -1.145   7.793
  262   HE21  GLN  43          1HE2      GLN  43  -1.773  -3.549   6.238
  263   HE22  GLN  43          2HE2      GLN  43  -1.539  -4.778   7.429
  264    H    GLY  44           HN       GLY  44  -5.365  -4.580   8.819
  265    HA2  GLY  44           HA2      GLY  44  -6.502  -5.667  10.486
  266    HA3  GLY  44           HA1      GLY  44  -7.266  -4.122  10.826
  267    H    TYR  45           HN       TYR  45  -7.608  -5.591   7.693
  268    HA   TYR  45           HA       TYR  45 -10.189  -6.754   8.377
  269    HD1  TYR  45           HD1      TYR  45 -12.312  -5.960   8.865
  270    HD2  TYR  45           HD2      TYR  45 -10.254  -2.450   7.618
  271    HE1  TYR  45           HE1      TYR  45 -13.489  -4.664  10.591
  272    HE2  TYR  45           HE2      TYR  45 -11.425  -1.145   9.343
  273    HH   TYR  45           HH       TYR  45 -12.549  -1.766  11.675
  274    HB2  TYR  45           HB2      TYR  45  -9.840  -4.415   6.509
  275    HB3  TYR  45           HB1      TYR  45 -11.218  -5.503   6.388
  276    H    THR  46           HN       THR  46 -10.816  -8.393   7.026
  277    HA   THR  46           HA       THR  46  -8.825  -9.241   5.050
  278    HB   THR  46           HB       THR  46 -11.044 -11.077   5.604
  279    HG1  THR  46           HG1      THR  46 -10.825 -10.160   7.685
  280   HG21  THR  46          3HG2      THR  46  -8.237 -11.775   6.212
  281   HG22  THR  46          1HG2      THR  46  -8.577 -11.313   4.544
  282   HG23  THR  46          2HG2      THR  46  -9.450 -12.656   5.282
  283    H    CYS  47           HN       CYS  47  -9.378  -9.838   2.953
  284    HA   CYS  47           HA       CYS  47 -11.729  -8.495   1.895
  285    HB2  CYS  47           HB2      CYS  47 -10.325  -9.819  -0.177
  286    HB3  CYS  47           HB1      CYS  47 -10.357  -8.097   0.178
  287    H    VAL  48           HN       VAL  48 -13.566  -9.624   2.053
  288    HA   VAL  48           HA       VAL  48 -13.530 -12.442   1.189
  289    HB   VAL  48           HB       VAL  48 -14.113 -11.816   3.669
  290   HG11  VAL  48          1HG1      VAL  48 -16.217 -11.071   4.165
  291   HG12  VAL  48          2HG1      VAL  48 -16.905 -11.667   2.654
  292   HG13  VAL  48          3HG1      VAL  48 -15.929 -10.199   2.660
  293   HG21  VAL  48          3HG2      VAL  48 -14.672 -13.965   2.005
  294   HG22  VAL  48          1HG2      VAL  48 -16.201 -13.626   2.817
  295   HG23  VAL  48          2HG2      VAL  48 -14.750 -13.944   3.767
  296    H    ALA  49           HN       ALA  49 -15.750 -13.180   0.404
  297    HA   ALA  49           HA       ALA  49 -17.378 -13.068  -1.180
  298    HB1  ALA  49           HB1      ALA  49 -18.613 -10.765  -1.216
  299    HB2  ALA  49           HB2      ALA  49 -17.643 -10.446   0.221
  300    HB3  ALA  49           HB3      ALA  49 -18.746 -11.822   0.189
  301    H    GLU  50           HN       GLU  50 -18.239 -11.157  -2.935
  302    HA   GLU  50           HA       GLU  50 -15.871 -10.826  -4.617
  303    HB2  GLU  50           HB2      GLU  50 -18.793 -11.092  -5.118
  304    HB3  GLU  50           HB1      GLU  50 -17.854 -10.160  -6.276
  305    HG2  GLU  50           HG2      GLU  50 -17.839 -12.291  -7.169
  306    HG3  GLU  50           HG1      GLU  50 -16.288 -12.193  -6.335
  307    H    GLY  51           HN       GLY  51 -15.185  -9.000  -3.221
  308    HA2  GLY  51           HA2      GLY  51 -14.727  -6.684  -3.712
  309    HA3  GLY  51           HA1      GLY  51 -16.401  -6.505  -4.210
  310    H    GLN  52           HN       GLN  52 -15.781  -8.309  -1.337
  311    HA   GLN  52           HA       GLN  52 -16.747  -6.029   0.259
  312    HB2  GLN  52           HB2      GLN  52 -18.012  -8.378  -0.020
  313    HB3  GLN  52           HB1      GLN  52 -16.964  -8.789   1.330
  314    HG2  GLN  52           HG2      GLN  52 -18.240  -7.679   2.758
  315    HG3  GLN  52           HG1      GLN  52 -18.214  -6.232   1.751
  316   HE21  GLN  52          1HE2      GLN  52 -20.453  -6.641   3.072
  317   HE22  GLN  52          2HE2      GLN  52 -21.715  -7.224   2.045
  318    H    CYS  53           HN       CYS  53 -16.199  -6.627   2.752
  319    HA   CYS  53           HA       CYS  53 -13.608  -7.755   3.179
  320    HB2  CYS  53           HB2      CYS  53 -13.072  -5.543   2.101
  321    HB3  CYS  53           HB1      CYS  53 -13.818  -4.756   3.488
  322    H    GLN  54           HN       GLN  54 -13.747  -8.636   5.116
  323    HA   GLN  54           HA       GLN  54 -15.073  -7.156   7.280
  324    HB2  GLN  54           HB2      GLN  54 -16.277  -9.286   6.083
  325    HB3  GLN  54           HB1      GLN  54 -15.384 -10.088   7.368
  326    HG2  GLN  54           HG2      GLN  54 -17.569  -9.608   8.172
  327    HG3  GLN  54           HG1      GLN  54 -16.439  -8.530   8.989
  328   HE21  GLN  54          1HE2      GLN  54 -19.218  -8.762   7.060
  329   HE22  GLN  54          2HE2      GLN  54 -19.470  -7.073   6.795
  330    H    LYS  55           HN       LYS  55 -14.228  -7.507   9.350
  331    HA   LYS  55           HA       LYS  55 -11.479  -8.031   9.494
  332    HB2  LYS  55           HB2      LYS  55 -13.146  -6.767  11.120
  333    HB3  LYS  55           HB1      LYS  55 -13.157  -8.322  11.941
  334    HG2  LYS  55           HG2      LYS  55 -10.502  -7.969  11.608
  335    HG3  LYS  55           HG1      LYS  55 -11.038  -6.293  11.752
  336    HD2  LYS  55           HD2      LYS  55 -12.328  -7.066  13.819
  337    HD3  LYS  55           HD1      LYS  55 -11.360  -8.538  13.725
  338    HE2  LYS  55           HE2      LYS  55  -9.589  -7.525  14.619
  339    HE3  LYS  55           HE1      LYS  55  -9.712  -6.176  13.490
  340    HZ1  LYS  55           HZ1      LYS  55 -10.631  -6.385  16.221
  341    HZ2  LYS  55           HZ2      LYS  55 -11.752  -5.688  15.164
  342    HZ3  LYS  55           HZ3      LYS  55 -10.209  -5.015  15.323
  343    H    LEU  56           HN       LEU  56 -10.562  -9.631  11.161
  344    HA   LEU  56           HA       LEU  56 -11.619 -12.283  10.484
  345    HG   LEU  56           HG       LEU  56  -7.468 -11.454  10.996
  346    HB2  LEU  56           HB2      LEU  56  -9.242 -12.945  11.387
  347    HB3  LEU  56           HB1      LEU  56  -9.461 -12.368   9.750
  348   HD11  LEU  56          1HD1      LEU  56  -7.601  -9.992   9.346
  349   HD12  LEU  56          2HD1      LEU  56  -8.561  -8.956  10.402
  350   HD13  LEU  56          3HD1      LEU  56  -9.361 -10.098   9.322
  351   HD21  LEU  56          3HD2      LEU  56  -7.652 -10.024  12.768
  352   HD22  LEU  56          1HD2      LEU  56  -9.011 -11.099  13.096
  353   HD23  LEU  56          2HD2      LEU  56  -9.291  -9.529  12.343
  354    H    ALA  57           HN       ALA  57 -10.121 -13.677  12.476
  355    HA   ALA  57           HA       ALA  57 -11.978 -13.547  14.632
  356    HB1  ALA  57           HB1      ALA  57 -11.295 -15.691  14.455
  357    HB2  ALA  57           HB2      ALA  57 -10.054 -15.165  15.592
  358    HB3  ALA  57           HB3      ALA  57  -9.693 -15.247  13.868
  359    H    ALA  58           HN       ALA  58 -10.055 -14.166  16.752
  360    HA   ALA  58           HA       ALA  58  -9.015 -13.111  18.475
  361    HB1  ALA  58           HB1      ALA  58  -7.084 -12.036  17.963
  362    HB2  ALA  58           HB2      ALA  58  -7.840 -11.024  16.734
  363    HB3  ALA  58           HB3      ALA  58  -7.435 -12.701  16.368
  364    H    ALA  59           HN       ALA  59 -11.481 -12.448  18.608
  365    HA   ALA  59           HA       ALA  59 -11.483  -9.711  19.506
  366    HB1  ALA  59           HB1      ALA  59 -13.405  -9.006  18.154
  367    HB2  ALA  59           HB2      ALA  59 -13.331 -10.528  17.267
  368    HB3  ALA  59           HB3      ALA  59 -12.001  -9.376  17.154
  369    H    LEU  60           HN       LEU  60 -13.819 -12.231  18.550
  370    HA   LEU  60           HA       LEU  60 -15.531 -13.231  19.658
  371    HG   LEU  60           HG       LEU  60 -16.328 -13.984  22.001
  372    HB2  LEU  60           HB2      LEU  60 -13.526 -13.919  21.051
  373    HB3  LEU  60           HB1      LEU  60 -13.983 -12.654  22.176
  374   HD11  LEU  60          1HD1      LEU  60 -15.287 -15.661  20.481
  375   HD12  LEU  60          2HD1      LEU  60 -15.965 -16.347  21.957
  376   HD13  LEU  60          3HD1      LEU  60 -14.222 -16.129  21.807
  377   HD21  LEU  60          3HD2      LEU  60 -14.066 -13.899  23.834
  378   HD22  LEU  60          1HD2      LEU  60 -15.033 -15.366  23.991
  379   HD23  LEU  60          2HD2      LEU  60 -15.796 -13.784  24.160
  380    H    GLU  61           HN       GLU  61 -17.001 -11.553  19.147
  381    HA   GLU  61           HA       GLU  61 -18.270 -10.410  21.424
  382    HB2  GLU  61           HB2      GLU  61 -16.323  -8.795  20.024
  383    HB3  GLU  61           HB1      GLU  61 -17.924  -8.079  19.903
  384    HG2  GLU  61           HG2      GLU  61 -18.129  -8.190  22.354
  385    HG3  GLU  61           HG1      GLU  61 -16.488  -8.828  22.440
  386    H    HIS  62           HN       HIS  62 -18.019  -9.306  18.051
  387    HA   HIS  62           HA       HIS  62 -20.780 -10.222  17.612
  388    HD1  HIS  62           HD1      HIS  62 -21.813  -8.952  19.406
  389    HD2  HIS  62           HD2      HIS  62 -19.894  -5.468  18.206
  390    HE1  HIS  62           HE1      HIS  62 -22.059  -7.352  21.332
  391    HE2  HIS  62           HE2      HIS  62 -20.837  -5.271  20.606
  392    HB2  HIS  62           HB2      HIS  62 -19.699  -7.608  16.551
  393    HB3  HIS  62           HB1      HIS  62 -21.359  -8.187  16.484
  394    H    HIS  63           HN       HIS  63 -20.932  -9.233  14.955
  395    HA   HIS  63           HA       HIS  63 -20.444  -9.786  12.809
  396    HD1  HIS  63           HD1      HIS  63 -16.635  -8.430  14.877
  397    HD2  HIS  63           HD2      HIS  63 -19.328  -7.369  11.895
  398    HE1  HIS  63           HE1      HIS  63 -16.539  -5.920  14.747
  399    HE2  HIS  63           HE2      HIS  63 -18.226  -5.296  12.981
  400    HB2  HIS  63           HB2      HIS  63 -17.672 -10.408  13.845
  401    HB3  HIS  63           HB1      HIS  63 -18.123 -10.153  12.163
  402    H    HIS  64           HN       HIS  64 -18.249 -12.104  14.359
  403    HA   HIS  64           HA       HIS  64 -18.201 -14.375  14.410
  404    HD1  HIS  64           HD1      HIS  64 -18.558 -14.831  16.612
  405    HD2  HIS  64           HD2      HIS  64 -21.543 -17.215  14.974
  406    HE1  HIS  64           HE1      HIS  64 -18.594 -16.921  18.011
  407    HE2  HIS  64           HE2      HIS  64 -20.361 -18.377  16.960
  408    HB2  HIS  64           HB2      HIS  64 -20.842 -13.726  14.968
  409    HB3  HIS  64           HB1      HIS  64 -20.971 -14.910  13.673
  410    H    HIS  65           HN       HIS  65 -19.072 -16.385  12.996
  411    HA   HIS  65           HA       HIS  65 -18.886 -17.472  11.009
  412    HD1  HIS  65           HD1      HIS  65 -21.430 -14.013  11.451
  413    HD2  HIS  65           HD2      HIS  65 -22.181 -17.973  10.438
  414    HE1  HIS  65           HE1      HIS  65 -23.673 -14.550  12.454
  415    HE2  HIS  65           HE2      HIS  65 -24.151 -16.918  11.742
  416    HB2  HIS  65           HB2      HIS  65 -19.840 -14.949   9.664
  417    HB3  HIS  65           HB1      HIS  65 -20.079 -16.616   9.150
  418    H    HIS  66           HN       HIS  66 -16.726 -17.777  10.772
  419    HA   HIS  66           HA       HIS  66 -15.004 -15.654   9.838
  420    HD1  HIS  66           HD1      HIS  66 -13.151 -15.184   9.309
  421    HD2  HIS  66           HD2      HIS  66 -11.442 -18.570  11.005
  422    HE1  HIS  66           HE1      HIS  66 -10.667 -14.812   9.195
  423    HE2  HIS  66           HE2      HIS  66  -9.651 -16.911  10.149
  424    HB2  HIS  66           HB2      HIS  66 -14.387 -17.534  11.490
  425    HB3  HIS  66           HB1      HIS  66 -14.235 -18.556  10.065
  426    H    HIS  67           HN       HIS  67 -16.658 -18.421   8.510
  427    HA   HIS  67           HA       HIS  67 -15.864 -17.570   5.830
  428    HD1  HIS  67           HD1      HIS  67 -13.411 -20.091   8.187
  429    HD2  HIS  67           HD2      HIS  67 -17.093 -21.761   7.230
  430    HE1  HIS  67           HE1      HIS  67 -13.803 -21.884   9.907
  431    HE2  HIS  67           HE2      HIS  67 -16.061 -22.846   9.339
  432    HB2  HIS  67           HB2      HIS  67 -15.677 -20.131   5.306
  433    HB3  HIS  67           HB1      HIS  67 -14.301 -19.270   5.987
  Start of MODEL    9
    1    H    VAL   1           HT1      VAL   1  13.851   1.351  -8.626
    2    HA   VAL   1           HA       VAL   1  12.732   0.494  -6.027
    3    HB   VAL   1           HB       VAL   1  14.955  -0.933  -6.093
    4   HG11  VAL   1          1HG1      VAL   1  12.972  -2.386  -7.630
    5   HG12  VAL   1          2HG1      VAL   1  12.251  -1.476  -6.302
    6   HG13  VAL   1          3HG1      VAL   1  13.533  -2.643  -5.978
    7   HG21  VAL   1          3HG2      VAL   1  14.370  -0.344  -8.944
    8   HG22  VAL   1          1HG2      VAL   1  14.878  -1.981  -8.528
    9   HG23  VAL   1          2HG2      VAL   1  15.914  -0.609  -8.135
   10    HA   PRO   2           HA       PRO   2  15.744   4.094  -5.739
   11    HB2  PRO   2           HB2      PRO   2  13.898   4.691  -3.494
   12    HB3  PRO   2           HB1      PRO   2  14.551   5.771  -4.730
   13    HG2  PRO   2           HG2      PRO   2  12.005   4.979  -4.811
   14    HG3  PRO   2           HG1      PRO   2  12.957   5.160  -6.296
   15    HD2  PRO   2           HD2      PRO   2  12.193   2.673  -4.821
   16    HD3  PRO   2           HD1      PRO   2  12.283   2.964  -6.571
   17    H    CYS   3           HN       CYS   3  17.446   4.184  -4.335
   18    HA   CYS   3           HA       CYS   3  17.314   3.055  -1.702
   19    HB2  CYS   3           HB2      CYS   3  17.766   1.204  -3.636
   20    HB3  CYS   3           HB1      CYS   3  19.417   1.689  -3.262
   21    H    ASP   4           HN       ASP   4  20.394   2.641  -3.062
   22    HA   ASP   4           HA       ASP   4  21.278   5.365  -2.790
   23    HB2  ASP   4           HB2      ASP   4  22.818   4.955  -0.923
   24    HB3  ASP   4           HB1      ASP   4  21.148   4.694  -0.430
   25    H    ASN   5           HN       ASN   5  24.020   4.408  -2.069
   26    HA   ASN   5           HA       ASN   5  25.081   4.122  -4.622
   27    HB2  ASN   5           HB2      ASN   5  26.079   3.952  -1.877
   28    HB3  ASN   5           HB1      ASN   5  26.970   2.928  -2.999
   29   HD21  ASN   5          1HD2      ASN   5  25.433   6.103  -3.358
   30   HD22  ASN   5          2HD2      ASN   5  26.857   6.922  -3.892
   31    H    VAL   6           HN       VAL   6  23.790   1.740  -2.450
   32    HA   VAL   6           HA       VAL   6  24.474  -0.356  -4.406
   33    HB   VAL   6           HB       VAL   6  23.886  -1.337  -1.713
   34   HG11  VAL   6          1HG1      VAL   6  25.770  -1.882  -3.943
   35   HG12  VAL   6          2HG1      VAL   6  24.702  -2.979  -3.068
   36   HG13  VAL   6          3HG1      VAL   6  26.211  -2.441  -2.330
   37   HG21  VAL   6          3HG2      VAL   6  26.368   0.319  -2.159
   38   HG22  VAL   6          1HG2      VAL   6  26.102  -0.756  -0.786
   39   HG23  VAL   6          2HG2      VAL   6  25.067   0.655  -1.016
   40    H    SER   7           HN       SER   7  22.480   0.064  -5.472
   41    HA   SER   7           HA       SER   7  20.002  -0.296  -4.022
   42    HG   SER   7           HG       SER   7  20.694   1.800  -5.043
   43    HB2  SER   7           HB2      SER   7  20.398  -0.055  -7.011
   44    HB3  SER   7           HB1      SER   7  18.905   0.206  -6.109
   45    H    SER   8           HN       SER   8  19.683  -2.343  -3.355
   46    HA   SER   8           HA       SER   8  19.643  -4.429  -5.428
   47    HG   SER   8           HG       SER   8  21.421  -5.179  -1.841
   48    HB2  SER   8           HB2      SER   8  20.446  -6.059  -3.723
   49    HB3  SER   8           HB1      SER   8  21.639  -4.817  -4.101
   50    H    CYS   9           HN       CYS   9  17.475  -4.546  -5.697
   51    HA   CYS   9           HA       CYS   9  15.944  -5.793  -3.606
   52    HB2  CYS   9           HB2      CYS   9  15.895  -3.050  -3.590
   53    HB3  CYS   9           HB1      CYS   9  14.496  -3.433  -4.587
   54    HA   PRO  10           HA       PRO  10  14.005  -7.370  -7.262
   55    HB2  PRO  10           HB2      PRO  10  11.900  -8.595  -5.785
   56    HB3  PRO  10           HB1      PRO  10  13.411  -9.335  -6.316
   57    HG2  PRO  10           HG2      PRO  10  12.699  -8.850  -3.672
   58    HG3  PRO  10           HG1      PRO  10  14.345  -9.150  -4.254
   59    HD2  PRO  10           HD2      PRO  10  13.006  -6.562  -3.592
   60    HD3  PRO  10           HD1      PRO  10  14.695  -7.060  -3.343
   61    H    SER  11           HN       SER  11  11.893  -7.482  -8.382
   62    HA   SER  11           HA       SER  11  10.638  -4.973  -8.481
   63    HG   SER  11           HG       SER  11  10.914  -8.060 -10.511
   64    HB2  SER  11           HB2      SER  11   8.845  -6.497  -9.774
   65    HB3  SER  11           HB1      SER  11  10.388  -6.036 -10.492
   66    H    SER  12           HN       SER  12   8.331  -4.522  -8.165
   67    HA   SER  12           HA       SER  12   6.537  -4.286  -6.788
   68    HG   SER  12           HG       SER  12   4.770  -6.857  -7.943
   69    HB2  SER  12           HB2      SER  12   6.880  -7.288  -6.707
   70    HB3  SER  12           HB1      SER  12   5.513  -6.455  -5.966
   71    H    ASP  13           HN       ASP  13   9.229  -4.085  -5.637
   72    HA   ASP  13           HA       ASP  13   8.442  -4.270  -2.838
   73    HB2  ASP  13           HB2      ASP  13  10.773  -5.725  -4.051
   74    HB3  ASP  13           HB1      ASP  13  10.840  -5.183  -2.377
   75    H    THR  14           HN       THR  14  10.057  -3.144  -1.411
   76    HA   THR  14           HA       THR  14  11.531  -1.040  -2.838
   77    HB   THR  14           HB       THR  14   9.340  -0.121  -2.117
   78    HG1  THR  14           HG1      THR  14  11.710   0.912  -1.784
   79   HG21  THR  14          3HG2      THR  14   9.249  -1.615  -0.043
   80   HG22  THR  14          1HG2      THR  14   8.708   0.053   0.145
   81   HG23  THR  14          2HG2      THR  14  10.306  -0.425   0.716
   82    H    CYS  15           HN       CYS  15  13.398  -0.330  -1.850
   83    HA   CYS  15           HA       CYS  15  14.416  -2.052   0.258
   84    HB2  CYS  15           HB2      CYS  15  16.472  -1.606  -0.562
   85    HB3  CYS  15           HB1      CYS  15  15.592  -1.003  -1.963
   86    H    CYS  16           HN       CYS  16  14.993  -1.410   2.288
   87    HA   CYS  16           HA       CYS  16  14.517   1.395   3.016
   88    HG   CYS  16           HG       CYS  16  13.214  -1.191   6.470
   89    HB2  CYS  16           HB2      CYS  16  13.205   0.836   4.888
   90    HB3  CYS  16           HB1      CYS  16  12.578  -0.180   3.594
   91    H    GLN  17           HN       GLN  17  15.492   1.988   5.112
   92    HA   GLN  17           HA       GLN  17  18.149   0.851   5.313
   93    HB2  GLN  17           HB2      GLN  17  17.207   3.394   5.551
   94    HB3  GLN  17           HB1      GLN  17  17.344   2.930   7.242
   95    HG2  GLN  17           HG2      GLN  17  19.678   2.221   5.644
   96    HG3  GLN  17           HG1      GLN  17  19.351   3.952   5.698
   97   HE21  GLN  17          1HE2      GLN  17  21.295   1.890   7.006
   98   HE22  GLN  17          2HE2      GLN  17  21.354   2.426   8.647
   99    H    LEU  18           HN       LEU  18  19.097   0.355   7.444
  100    HA   LEU  18           HA       LEU  18  17.123  -0.706   9.350
  101    HG   LEU  18           HG       LEU  18  16.607  -2.594   8.129
  102    HB2  LEU  18           HB2      LEU  18  19.523  -2.098   8.188
  103    HB3  LEU  18           HB1      LEU  18  18.801  -2.608   9.703
  104   HD11  LEU  18          1HD1      LEU  18  18.321  -2.015   6.229
  105   HD12  LEU  18          2HD1      LEU  18  16.998  -3.145   5.940
  106   HD13  LEU  18          3HD1      LEU  18  18.620  -3.753   6.267
  107   HD21  LEU  18          3HD2      LEU  18  17.932  -5.093   7.731
  108   HD22  LEU  18          1HD2      LEU  18  16.619  -4.694   8.839
  109   HD23  LEU  18          2HD2      LEU  18  18.294  -4.491   9.349
  110    H    THR  19           HN       THR  19  18.082  -1.167  11.509
  111    HA   THR  19           HA       THR  19  19.795   1.047  12.281
  112    HB   THR  19           HB       THR  19  19.025  -0.829  14.397
  113    HG1  THR  19           HG1      THR  19  16.768   0.347  14.051
  114   HG21  THR  19          3HG2      THR  19  19.080   2.096  13.887
  115   HG22  THR  19          1HG2      THR  19  19.682   1.177  15.267
  116   HG23  THR  19          2HG2      THR  19  17.957   1.505  15.111
  117    H    SER  20           HN       SER  20  20.906  -1.224  10.768
  118    HA   SER  20           HA       SER  20  22.978  -2.017  12.702
  119    HG   SER  20           HG       SER  20  21.654  -4.435  13.154
  120    HB2  SER  20           HB2      SER  20  21.912  -3.758  10.463
  121    HB3  SER  20           HB1      SER  20  23.149  -4.201  11.640
  122    H    GLY  21           HN       GLY  21  22.611   0.083  10.493
  123    HA2  GLY  21           HA2      GLY  21  24.030   1.164   9.048
  124    HA3  GLY  21           HA1      GLY  21  25.302   0.091   9.612
  125    H    GLU  22           HN       GLU  22  22.394  -1.225   8.238
  126    HA   GLU  22           HA       GLU  22  23.759  -1.675   5.678
  127    HB2  GLU  22           HB2      GLU  22  22.485  -3.785   7.420
  128    HB3  GLU  22           HB1      GLU  22  22.870  -4.037   5.722
  129    HG2  GLU  22           HG2      GLU  22  25.183  -3.017   7.005
  130    HG3  GLU  22           HG1      GLU  22  24.543  -4.336   7.985
  131    H    TRP  23           HN       TRP  23  22.279  -2.449   3.969
  132    HA   TRP  23           HA       TRP  23  19.626  -1.226   4.299
  133    HD1  TRP  23           HD1      TRP  23  23.095   0.140   2.758
  134    HE1  TRP  23           HE1      TRP  23  22.967   2.706   2.921
  135    HE3  TRP  23           HE3      TRP  23  18.048   0.738   2.205
  136    HZ2  TRP  23           HZ2      TRP  23  20.989   4.717   2.829
  137    HZ3  TRP  23           HZ3      TRP  23  17.117   3.015   2.254
  138    HH2  TRP  23           HH2      TRP  23  18.558   4.962   2.561
  139    HB2  TRP  23           HB2      TRP  23  21.345  -1.677   1.857
  140    HB3  TRP  23           HB1      TRP  23  19.655  -1.196   1.755
  141    H    GLY  24           HN       GLY  24  17.773  -2.284   3.505
  142    HA2  GLY  24           HA2      GLY  24  18.085  -5.083   2.678
  143    HA3  GLY  24           HA1      GLY  24  17.136  -4.744   4.118
  144    H    CYS  25           HN       CYS  25  15.621  -5.985   2.557
  145    HA   CYS  25           HA       CYS  25  14.132  -3.990   0.980
  146    HB2  CYS  25           HB2      CYS  25  14.643  -6.906   0.428
  147    HB3  CYS  25           HB1      CYS  25  13.290  -6.054  -0.309
  148    H    CYS  26           HN       CYS  26  11.969  -3.823   1.305
  149    HA   CYS  26           HA       CYS  26  10.733  -5.685   3.218
  150    HG   CYS  26           HG       CYS  26   8.220  -4.449   4.627
  151    HB2  CYS  26           HB2      CYS  26  11.392  -3.296   4.064
  152    HB3  CYS  26           HB1      CYS  26   9.962  -2.788   3.173
  153    HA   PRO  27           HA       PRO  27   7.656  -6.122   0.054
  154    HB2  PRO  27           HB2      PRO  27   5.848  -7.026   2.187
  155    HB3  PRO  27           HB1      PRO  27   6.473  -7.917   0.797
  156    HG2  PRO  27           HG2      PRO  27   7.299  -8.442   3.300
  157    HG3  PRO  27           HG1      PRO  27   8.391  -8.566   1.908
  158    HD2  PRO  27           HD2      PRO  27   8.141  -6.370   3.931
  159    HD3  PRO  27           HD1      PRO  27   9.604  -7.095   3.230
  160    H    ILE  28           HN       ILE  28   5.070  -5.838   0.080
  161    HA   ILE  28           HA       ILE  28   3.571  -4.147  -0.334
  162    HB   ILE  28           HB       ILE  28   2.744  -5.118   1.704
  163   HG12  ILE  28          2HG1      ILE  28   2.564  -2.126   2.055
  164   HG13  ILE  28          1HG1      ILE  28   1.729  -2.985   0.764
  165   HG21  ILE  28          1HG2      ILE  28   3.367  -3.700   3.865
  166   HG22  ILE  28          2HG2      ILE  28   4.871  -3.495   2.967
  167   HG23  ILE  28          3HG2      ILE  28   4.290  -5.114   3.359
  168   HD11  ILE  28          3HD1      ILE  28   0.955  -2.612   3.485
  169   HD12  ILE  28          1HD1      ILE  28   1.104  -4.336   3.142
  170   HD13  ILE  28          2HD1      ILE  28   0.047  -3.329   2.153
  171    HA   PRO  29           HA       PRO  29   6.270  -0.448   0.014
  172    HB2  PRO  29           HB2      PRO  29   6.893  -0.112  -2.549
  173    HB3  PRO  29           HB1      PRO  29   7.691  -1.361  -1.586
  174    HG2  PRO  29           HG2      PRO  29   5.538  -1.629  -3.626
  175    HG3  PRO  29           HG1      PRO  29   6.883  -2.722  -3.262
  176    HD2  PRO  29           HD2      PRO  29   4.222  -2.969  -2.357
  177    HD3  PRO  29           HD1      PRO  29   5.626  -3.880  -1.770
  178    H    GLU  30           HN       GLU  30   3.408  -0.536   0.025
  179    HA   GLU  30           HA       GLU  30   2.786   2.080  -0.757
  180    HB2  GLU  30           HB2      GLU  30   2.790   0.417  -2.955
  181    HB3  GLU  30           HB1      GLU  30   1.097   0.422  -2.484
  182    HG2  GLU  30           HG2      GLU  30   1.875   3.088  -2.358
  183    HG3  GLU  30           HG1      GLU  30   2.647   2.454  -3.812
  184    H    ALA  31           HN       ALA  31   0.256   2.360  -0.805
  185    HA   ALA  31           HA       ALA  31  -0.784   0.739   1.419
  186    HB1  ALA  31           HB1      ALA  31  -1.626   3.490   0.514
  187    HB2  ALA  31           HB2      ALA  31  -0.576   3.130   1.884
  188    HB3  ALA  31           HB3      ALA  31  -2.263   2.616   1.907
  189    H    VAL  32           HN       VAL  32  -1.844   2.330  -1.587
  190    HA   VAL  32           HA       VAL  32  -4.155   0.532  -1.681
  191    HB   VAL  32           HB       VAL  32  -4.462   2.135  -3.863
  192   HG11  VAL  32          1HG1      VAL  32  -6.381   2.405  -2.788
  193   HG12  VAL  32          2HG1      VAL  32  -5.600   3.503  -1.650
  194   HG13  VAL  32          3HG1      VAL  32  -5.647   1.774  -1.315
  195   HG21  VAL  32          3HG2      VAL  32  -4.066   4.460  -2.595
  196   HG22  VAL  32          1HG2      VAL  32  -2.878   3.746  -3.685
  197   HG23  VAL  32          2HG2      VAL  32  -2.709   3.543  -1.942
  198    H    CYS  33           HN       CYS  33  -2.378  -1.141  -2.126
  199    HA   CYS  33           HA       CYS  33  -1.738  -1.224  -4.995
  200    HG   CYS  33           HG       CYS  33   1.784  -3.133  -4.506
  201    HB2  CYS  33           HB2      CYS  33   0.019  -1.504  -3.031
  202    HB3  CYS  33           HB1      CYS  33  -0.564  -3.165  -3.051
  203    H    CYS  34           HN       CYS  34  -2.153  -3.115  -6.195
  204    HA   CYS  34           HA       CYS  34  -3.724  -5.226  -4.964
  205    HB2  CYS  34           HB2      CYS  34  -5.351  -3.444  -5.637
  206    HB3  CYS  34           HB1      CYS  34  -4.827  -3.661  -7.303
  207    H    SER  35           HN       SER  35  -1.613  -4.045  -7.330
  208    HA   SER  35           HA       SER  35  -1.899  -6.063  -9.304
  209    HG   SER  35           HG       SER  35   1.422  -3.838  -8.769
  210    HB2  SER  35           HB2      SER  35   0.459  -5.313  -9.948
  211    HB3  SER  35           HB1      SER  35  -0.798  -4.076  -9.980
  212    H    ASP  36           HN       ASP  36   0.269  -7.360  -9.830
  213    HA   ASP  36           HA       ASP  36   1.285  -8.617  -7.387
  214    HB2  ASP  36           HB2      ASP  36  -0.684  -9.923  -8.207
  215    HB3  ASP  36           HB1      ASP  36   0.182 -10.204  -9.714
  216    H    HIS  37           HN       HIS  37   1.478  -8.435 -10.922
  217    HA   HIS  37           HA       HIS  37   4.356  -8.220 -10.778
  218    HD1  HIS  37           HD1      HIS  37   4.758 -10.905 -14.245
  219    HD2  HIS  37           HD2      HIS  37   6.703  -9.697 -10.776
  220    HE1  HIS  37           HE1      HIS  37   7.214 -11.000 -14.782
  221    HE2  HIS  37           HE2      HIS  37   8.366 -10.178 -12.697
  222    HB2  HIS  37           HB2      HIS  37   3.853 -10.699 -10.809
  223    HB3  HIS  37           HB1      HIS  37   3.167 -10.464 -12.414
  224    H    GLN  38           HN       GLN  38   1.413  -8.356 -12.679
  225    HA   GLN  38           HA       GLN  38   2.511  -7.360 -15.096
  226    HB2  GLN  38           HB2      GLN  38  -0.143  -7.979 -14.034
  227    HB3  GLN  38           HB1      GLN  38  -0.144  -6.599 -15.124
  228    HG2  GLN  38           HG2      GLN  38  -0.464  -8.252 -16.636
  229    HG3  GLN  38           HG1      GLN  38   1.300  -8.237 -16.615
  230   HE21  GLN  38          1HE2      GLN  38   2.393  -9.975 -15.831
  231   HE22  GLN  38          2HE2      GLN  38   1.632 -11.441 -15.326
  232    H    HIS  39           HN       HIS  39   1.613  -5.242 -16.053
  233    HA   HIS  39           HA       HIS  39   2.609  -3.097 -14.466
  234    HD1  HIS  39           HD1      HIS  39   4.456  -3.552 -15.542
  235    HD2  HIS  39           HD2      HIS  39   3.133  -0.561 -18.106
  236    HE1  HIS  39           HE1      HIS  39   6.530  -2.344 -16.295
  237    HE2  HIS  39           HE2      HIS  39   5.707  -0.550 -17.861
  238    HB2  HIS  39           HB2      HIS  39   1.704  -3.493 -17.215
  239    HB3  HIS  39           HB1      HIS  39   1.243  -1.922 -16.570
  240    H    CYS  40           HN       CYS  40   1.569  -1.821 -13.080
  241    HA   CYS  40           HA       CYS  40  -1.376  -1.892 -13.080
  242    HG   CYS  40           HG       CYS  40   1.432  -0.212 -10.469
  243    HB2  CYS  40           HB2      CYS  40  -1.140  -1.262 -10.636
  244    HB3  CYS  40           HB1      CYS  40  -0.619  -2.889 -11.064
  245    H    CYS  41           HN       CYS  41  -2.185   0.124 -11.708
  246    HA   CYS  41           HA       CYS  41  -1.325   2.446 -13.226
  247    HB2  CYS  41           HB2      CYS  41  -3.519   2.411 -11.166
  248    HB3  CYS  41           HB1      CYS  41  -3.353   3.451 -12.577
  249    HA   PRO  42           HA       PRO  42   1.056   4.562 -10.185
  250    HB2  PRO  42           HB2      PRO  42  -0.225   7.012 -10.000
  251    HB3  PRO  42           HB1      PRO  42   0.955   6.576 -11.239
  252    HG2  PRO  42           HG2      PRO  42  -2.031   6.562 -11.374
  253    HG3  PRO  42           HG1      PRO  42  -0.854   7.070 -12.601
  254    HD2  PRO  42           HD2      PRO  42  -2.089   4.704 -12.767
  255    HD3  PRO  42           HD1      PRO  42  -0.382   4.882 -13.231
  256    H    GLN  43           HN       GLN  43   0.812   5.963  -8.117
  257    HA   GLN  43           HA       GLN  43  -0.553   4.476  -6.195
  258    HB2  GLN  43           HB2      GLN  43  -0.119   6.477  -4.702
  259    HB3  GLN  43           HB1      GLN  43   1.293   5.779  -5.485
  260    HG2  GLN  43           HG2      GLN  43   0.116   7.864  -7.098
  261    HG3  GLN  43           HG1      GLN  43   0.523   8.442  -5.482
  262   HE21  GLN  43          1HE2      GLN  43   2.692   8.288  -4.775
  263   HE22  GLN  43          2HE2      GLN  43   3.993   8.197  -5.909
  264    H    GLY  44           HN       GLY  44  -2.486   4.686  -5.149
  265    HA2  GLY  44           HA2      GLY  44  -4.422   5.969  -4.510
  266    HA3  GLY  44           HA1      GLY  44  -4.257   6.879  -6.003
  267    H    TYR  45           HN       TYR  45  -3.891   4.661  -7.751
  268    HA   TYR  45           HA       TYR  45  -6.659   3.848  -7.992
  269    HD1  TYR  45           HD2      TYR  45  -3.631   5.726  -9.740
  270    HD2  TYR  45           HD1      TYR  45  -7.536   4.498 -10.895
  271    HE1  TYR  45           HE2      TYR  45  -4.026   7.939 -10.734
  272    HE2  TYR  45           HE1      TYR  45  -7.943   6.707 -11.892
  273    HH   TYR  45           HH       TYR  45  -5.694   9.351 -11.486
  274    HB2  TYR  45           HB2      TYR  45  -4.266   3.354  -9.774
  275    HB3  TYR  45           HB1      TYR  45  -5.915   2.877 -10.161
  276    H    THR  46           HN       THR  46  -7.388   1.713  -8.154
  277    HA   THR  46           HA       THR  46  -5.650  -0.282  -6.849
  278    HB   THR  46           HB       THR  46  -8.592  -0.657  -6.869
  279    HG1  THR  46           HG1      THR  46  -7.271   1.251  -5.208
  280   HG21  THR  46          3HG2      THR  46  -6.296  -1.646  -5.450
  281   HG22  THR  46          1HG2      THR  46  -7.953  -2.251  -5.443
  282   HG23  THR  46          2HG2      THR  46  -7.470  -0.990  -4.309
  283    H    CYS  47           HN       CYS  47  -6.644  -2.607  -7.338
  284    HA   CYS  47           HA       CYS  47  -6.980  -2.762 -10.258
  285    HB2  CYS  47           HB2      CYS  47  -5.504  -4.470 -10.356
  286    HB3  CYS  47           HB1      CYS  47  -4.949  -3.837  -8.812
  287    H    VAL  48           HN       VAL  48  -8.708  -3.781 -11.082
  288    HA   VAL  48           HA       VAL  48 -10.160  -5.849  -9.865
  289    HB   VAL  48           HB       VAL  48 -10.711  -3.669  -8.457
  290   HG11  VAL  48          1HG1      VAL  48 -12.260  -2.230  -9.254
  291   HG12  VAL  48          2HG1      VAL  48 -13.062  -3.460 -10.232
  292   HG13  VAL  48          3HG1      VAL  48 -11.569  -2.715 -10.803
  293   HG21  VAL  48          3HG2      VAL  48 -12.100  -5.102  -7.496
  294   HG22  VAL  48          1HG2      VAL  48 -11.951  -6.152  -8.904
  295   HG23  VAL  48          2HG2      VAL  48 -13.239  -4.949  -8.833
  296    H    ALA  49           HN       ALA  49 -12.524  -5.901 -10.913
  297    HA   ALA  49           HA       ALA  49 -13.764  -6.129 -12.802
  298    HB1  ALA  49           HB1      ALA  49 -14.130  -4.243 -13.967
  299    HB2  ALA  49           HB2      ALA  49 -12.420  -4.012 -14.332
  300    HB3  ALA  49           HB3      ALA  49 -13.064  -3.515 -12.766
  301    H    GLU  50           HN       GLU  50 -13.220  -5.845 -15.484
  302    HA   GLU  50           HA       GLU  50 -11.829  -8.187 -16.081
  303    HB2  GLU  50           HB2      GLU  50 -13.535  -7.097 -17.540
  304    HB3  GLU  50           HB1      GLU  50 -12.343  -5.873 -17.954
  305    HG2  GLU  50           HG2      GLU  50 -11.995  -7.225 -19.713
  306    HG3  GLU  50           HG1      GLU  50 -10.945  -8.067 -18.573
  307    H    GLY  51           HN       GLY  51 -10.682  -5.050 -15.457
  308    HA2  GLY  51           HA2      GLY  51  -8.005  -5.810 -16.454
  309    HA3  GLY  51           HA1      GLY  51  -8.593  -4.153 -16.448
  310    H    GLN  52           HN       GLN  52  -7.480  -3.037 -14.987
  311    HA   GLN  52           HA       GLN  52  -7.625  -3.739 -12.223
  312    HB2  GLN  52           HB2      GLN  52  -5.015  -3.629 -12.042
  313    HB3  GLN  52           HB1      GLN  52  -5.810  -5.147 -12.430
  314    HG2  GLN  52           HG2      GLN  52  -5.335  -4.804 -14.794
  315    HG3  GLN  52           HG1      GLN  52  -4.559  -3.266 -14.421
  316   HE21  GLN  52          1HE2      GLN  52  -3.291  -4.184 -12.014
  317   HE22  GLN  52          2HE2      GLN  52  -2.004  -5.233 -12.488
  318    H    CYS  53           HN       CYS  53  -8.616  -1.662 -12.249
  319    HA   CYS  53           HA       CYS  53  -6.971   0.434 -11.439
  320    HB2  CYS  53           HB2      CYS  53  -6.808   0.236 -14.162
  321    HB3  CYS  53           HB1      CYS  53  -8.128   1.387 -13.977
  322    H    GLN  54           HN       GLN  54  -8.380   0.884  -9.869
  323    HA   GLN  54           HA       GLN  54 -10.804   2.284 -10.597
  324    HB2  GLN  54           HB2      GLN  54 -11.176  -0.341 -10.266
  325    HB3  GLN  54           HB1      GLN  54 -11.242   0.144  -8.578
  326    HG2  GLN  54           HG2      GLN  54 -13.450   0.253  -9.178
  327    HG3  GLN  54           HG1      GLN  54 -12.933   1.920  -9.428
  328   HE21  GLN  54          1HE2      GLN  54 -14.772  -0.386 -10.707
  329   HE22  GLN  54          2HE2      GLN  54 -14.663   0.005 -12.386
  330    H    LYS  55           HN       LYS  55 -11.206   3.900  -9.202
  331    HA   LYS  55           HA       LYS  55  -9.702   3.897  -6.668
  332    HB2  LYS  55           HB2      LYS  55  -9.490   5.697  -8.718
  333    HB3  LYS  55           HB1      LYS  55 -10.654   6.491  -7.666
  334    HG2  LYS  55           HG2      LYS  55  -8.689   5.618  -5.931
  335    HG3  LYS  55           HG1      LYS  55  -7.796   6.157  -7.354
  336    HD2  LYS  55           HD2      LYS  55  -9.967   7.838  -6.144
  337    HD3  LYS  55           HD1      LYS  55  -8.317   7.881  -5.516
  338    HE2  LYS  55           HE2      LYS  55  -9.253   8.575  -8.294
  339    HE3  LYS  55           HE1      LYS  55  -8.540   9.654  -7.096
  340    HZ1  LYS  55           HZ1      LYS  55  -6.693   7.664  -7.423
  341    HZ2  LYS  55           HZ2      LYS  55  -6.610   9.222  -8.074
  342    HZ3  LYS  55           HZ3      LYS  55  -7.254   7.957  -8.993
  343    H    LEU  56           HN       LEU  56 -10.719   5.409  -4.997
  344    HA   LEU  56           HA       LEU  56 -13.652   5.274  -5.081
  345    HG   LEU  56           HG       LEU  56 -11.545   3.104  -4.540
  346    HB2  LEU  56           HB2      LEU  56 -12.565   4.826  -2.417
  347    HB3  LEU  56           HB1      LEU  56 -13.841   3.976  -3.265
  348   HD11  LEU  56          1HD1      LEU  56 -10.138   4.122  -2.841
  349   HD12  LEU  56          2HD1      LEU  56 -10.069   2.364  -2.733
  350   HD13  LEU  56          3HD1      LEU  56 -11.032   3.282  -1.575
  351   HD21  LEU  56          3HD2      LEU  56 -13.372   1.666  -4.060
  352   HD22  LEU  56          1HD2      LEU  56 -13.193   1.910  -2.323
  353   HD23  LEU  56          2HD2      LEU  56 -11.968   1.010  -3.217
  354    H    ALA  57           HN       ALA  57 -14.429   6.422  -2.870
  355    HA   ALA  57           HA       ALA  57 -13.143   9.065  -2.928
  356    HB1  ALA  57           HB1      ALA  57 -15.526   9.445  -1.647
  357    HB2  ALA  57           HB2      ALA  57 -15.920   8.157  -2.787
  358    HB3  ALA  57           HB3      ALA  57 -15.252   9.680  -3.373
  359    H    ALA  58           HN       ALA  58 -14.158  10.161  -0.628
  360    HA   ALA  58           HA       ALA  58 -12.543   8.813   1.386
  361    HB1  ALA  58           HB1      ALA  58 -13.497  11.563   0.937
  362    HB2  ALA  58           HB2      ALA  58 -11.967  10.983   1.595
  363    HB3  ALA  58           HB3      ALA  58 -13.397  11.053   2.622
  364    H    ALA  59           HN       ALA  59 -15.653   8.621   0.403
  365    HA   ALA  59           HA       ALA  59 -17.602   7.876   1.310
  366    HB1  ALA  59           HB1      ALA  59 -15.499   6.683   3.021
  367    HB2  ALA  59           HB2      ALA  59 -16.738   5.906   2.037
  368    HB3  ALA  59           HB3      ALA  59 -17.162   6.597   3.602
  369    H    LEU  60           HN       LEU  60 -18.371  10.018   1.652
  370    HA   LEU  60           HA       LEU  60 -18.630  10.681   4.500
  371    HG   LEU  60           HG       LEU  60 -18.515  12.327   1.243
  372    HB2  LEU  60           HB2      LEU  60 -18.526  13.112   3.838
  373    HB3  LEU  60           HB1      LEU  60 -17.009  12.237   3.780
  374   HD11  LEU  60          1HD1      LEU  60 -18.772  14.523   1.107
  375   HD12  LEU  60          2HD1      LEU  60 -17.036  14.731   1.337
  376   HD13  LEU  60          3HD1      LEU  60 -18.115  14.721   2.731
  377   HD21  LEU  60          3HD2      LEU  60 -15.971  11.651   2.058
  378   HD22  LEU  60          1HD2      LEU  60 -15.753  13.231   1.306
  379   HD23  LEU  60          2HD2      LEU  60 -16.494  11.916   0.395
  380    H    GLU  61           HN       GLU  61 -20.586   9.304   3.590
  381    HA   GLU  61           HA       GLU  61 -22.841   9.234   3.324
  382    HB2  GLU  61           HB2      GLU  61 -22.381  12.053   4.119
  383    HB3  GLU  61           HB1      GLU  61 -23.930  11.691   3.368
  384    HG2  GLU  61           HG2      GLU  61 -24.701  10.726   5.209
  385    HG3  GLU  61           HG1      GLU  61 -23.247   9.749   5.396
  386    H    HIS  62           HN       HIS  62 -24.190   9.102   1.607
  387    HA   HIS  62           HA       HIS  62 -23.990  10.931  -0.617
  388    HD1  HIS  62           HD1      HIS  62 -21.584   8.351   0.975
  389    HD2  HIS  62           HD2      HIS  62 -23.696   6.199  -1.884
  390    HE1  HIS  62           HE1      HIS  62 -21.238   5.931   1.564
  391    HE2  HIS  62           HE2      HIS  62 -22.515   4.645  -0.187
  392    HB2  HIS  62           HB2      HIS  62 -23.633   8.881  -2.191
  393    HB3  HIS  62           HB1      HIS  62 -22.239   9.625  -1.416
  394    H    HIS  63           HN       HIS  63 -25.701   8.963   1.355
  395    HA   HIS  63           HA       HIS  63 -27.934   8.802  -0.557
  396    HD1  HIS  63           HD1      HIS  63 -28.633   7.434  -1.986
  397    HD2  HIS  63           HD2      HIS  63 -29.643   4.895   1.145
  398    HE1  HIS  63           HE1      HIS  63 -30.577   6.075  -2.823
  399    HE2  HIS  63           HE2      HIS  63 -31.217   4.597  -0.886
  400    HB2  HIS  63           HB2      HIS  63 -26.702   6.589   0.265
  401    HB3  HIS  63           HB1      HIS  63 -27.766   6.807   1.651
  402    H    HIS  64           HN       HIS  64 -26.823  10.272   2.124
  403    HA   HIS  64           HA       HIS  64 -27.742  11.403   3.872
  404    HD1  HIS  64           HD1      HIS  64 -28.537  13.993   4.226
  405    HD2  HIS  64           HD2      HIS  64 -28.777  13.224   0.150
  406    HE1  HIS  64           HE1      HIS  64 -27.583  16.029   3.100
  407    HE2  HIS  64           HE2      HIS  64 -27.680  15.515   0.636
  408    HB2  HIS  64           HB2      HIS  64 -29.902  11.400   1.805
  409    HB3  HIS  64           HB1      HIS  64 -30.269  12.023   3.410
  410    H    HIS  65           HN       HIS  65 -27.453   9.251   4.987
  411    HA   HIS  65           HA       HIS  65 -30.049   8.402   6.075
  412    HD1  HIS  65           HD1      HIS  65 -29.550   5.558   3.056
  413    HD2  HIS  65           HD2      HIS  65 -31.491   6.235   6.667
  414    HE1  HIS  65           HE1      HIS  65 -31.856   4.595   2.770
  415    HE2  HIS  65           HE2      HIS  65 -33.038   5.086   4.941
  416    HB2  HIS  65           HB2      HIS  65 -28.119   6.781   4.641
  417    HB3  HIS  65           HB1      HIS  65 -28.388   6.161   6.266
  418    H    HIS  66           HN       HIS  66 -29.855   7.322   8.202
  419    HA   HIS  66           HA       HIS  66 -27.476   7.528   9.737
  420    HD1  HIS  66           HD1      HIS  66 -29.702  10.216  12.671
  421    HD2  HIS  66           HD2      HIS  66 -25.955   8.773  11.604
  422    HE1  HIS  66           HE1      HIS  66 -28.328  10.290  14.776
  423    HE2  HIS  66           HE2      HIS  66 -26.097   9.316  14.128
  424    HB2  HIS  66           HB2      HIS  66 -28.017   9.928   9.617
  425    HB3  HIS  66           HB1      HIS  66 -29.611   9.601  10.290
  426    H    HIS  67           HN       HIS  67 -27.619   6.021  11.265
  427    HA   HIS  67           HA       HIS  67 -30.164   4.777  11.820
  428    HD1  HIS  67           HD1      HIS  67 -30.825   3.249  11.311
  429    HD2  HIS  67           HD2      HIS  67 -27.711   0.967  12.850
  430    HE1  HIS  67           HE1      HIS  67 -31.541   0.855  11.027
  431    HE2  HIS  67           HE2      HIS  67 -29.618  -0.509  11.915
  432    HB2  HIS  67           HB2      HIS  67 -27.484   3.935  11.828
  433    HB3  HIS  67           HB1      HIS  67 -28.011   3.838  13.505
  Start of MODEL   10
    1    H    VAL   1           HT1      VAL   1  19.207  -7.560  -1.988
    2    HA   VAL   1           HA       VAL   1  20.966  -5.612  -3.354
    3    HB   VAL   1           HB       VAL   1  18.609  -4.622  -3.954
    4   HG11  VAL   1          1HG1      VAL   1  19.144  -5.142  -6.067
    5   HG12  VAL   1          2HG1      VAL   1  19.144  -6.876  -5.743
    6   HG13  VAL   1          3HG1      VAL   1  20.564  -5.905  -5.351
    7   HG21  VAL   1          3HG2      VAL   1  16.881  -6.199  -4.342
    8   HG22  VAL   1          1HG2      VAL   1  17.443  -6.474  -2.693
    9   HG23  VAL   1          2HG2      VAL   1  17.948  -7.559  -3.989
   10    HA   PRO   2           HA       PRO   2  19.960  -3.933   0.776
   11    HB2  PRO   2           HB2      PRO   2  22.460  -2.478   0.540
   12    HB3  PRO   2           HB1      PRO   2  22.022  -3.744   1.688
   13    HG2  PRO   2           HG2      PRO   2  23.877  -4.089  -0.274
   14    HG3  PRO   2           HG1      PRO   2  22.894  -5.413   0.380
   15    HD2  PRO   2           HD2      PRO   2  22.528  -3.852  -2.154
   16    HD3  PRO   2           HD1      PRO   2  22.354  -5.599  -1.871
   17    H    CYS   3           HN       CYS   3  19.484  -2.809  -2.091
   18    HA   CYS   3           HA       CYS   3  18.688  -0.895  -3.017
   19    HB2  CYS   3           HB2      CYS   3  17.522  -0.971  -0.636
   20    HB3  CYS   3           HB1      CYS   3  18.513   0.459  -0.363
   21    H    ASP   4           HN       ASP   4  21.596  -1.212  -1.999
   22    HA   ASP   4           HA       ASP   4  22.468   1.371  -2.958
   23    HB2  ASP   4           HB2      ASP   4  22.141   1.323  -0.315
   24    HB3  ASP   4           HB1      ASP   4  23.728   0.560  -0.380
   25    H    ASN   5           HN       ASN   5  25.142   1.219  -2.312
   26    HA   ASN   5           HA       ASN   5  27.076   0.328  -3.125
   27    HB2  ASN   5           HB2      ASN   5  25.992  -1.476  -1.344
   28    HB3  ASN   5           HB1      ASN   5  26.301  -2.477  -2.760
   29   HD21  ASN   5          1HD2      ASN   5  28.362  -2.959  -3.323
   30   HD22  ASN   5          2HD2      ASN   5  29.744  -2.517  -2.385
   31    H    VAL   6           HN       VAL   6  25.670   1.030  -5.179
   32    HA   VAL   6           HA       VAL   6  25.285   0.723  -7.397
   33    HB   VAL   6           HB       VAL   6  26.870  -1.821  -7.374
   34   HG11  VAL   6          1HG1      VAL   6  27.520  -1.173  -9.547
   35   HG12  VAL   6          2HG1      VAL   6  26.975   0.486  -9.300
   36   HG13  VAL   6          3HG1      VAL   6  25.796  -0.818  -9.442
   37   HG21  VAL   6          3HG2      VAL   6  28.828  -0.031  -7.743
   38   HG22  VAL   6          1HG2      VAL   6  28.441  -0.718  -6.166
   39   HG23  VAL   6          2HG2      VAL   6  27.823   0.873  -6.611
   40    H    SER   7           HN       SER   7  23.436  -0.387  -5.527
   41    HA   SER   7           HA       SER   7  22.091  -2.258  -7.298
   42    HG   SER   7           HG       SER   7  23.233  -5.012  -5.652
   43    HB2  SER   7           HB2      SER   7  23.198  -2.994  -4.648
   44    HB3  SER   7           HB1      SER   7  21.550  -3.532  -4.975
   45    H    SER   8           HN       SER   8  19.814  -2.597  -6.664
   46    HA   SER   8           HA       SER   8  18.685  -0.769  -4.728
   47    HG   SER   8           HG       SER   8  18.873  -1.254  -8.059
   48    HB2  SER   8           HB2      SER   8  17.091   0.043  -6.697
   49    HB3  SER   8           HB1      SER   8  18.608   0.868  -6.341
   50    H    CYS   9           HN       CYS   9  16.217  -0.919  -4.792
   51    HA   CYS   9           HA       CYS   9  15.524  -3.733  -4.868
   52    HB2  CYS   9           HB2      CYS   9  14.810  -1.599  -3.236
   53    HB3  CYS   9           HB1      CYS   9  13.361  -1.900  -4.190
   54    HA   PRO  10           HA       PRO  10  13.259  -3.434  -8.664
   55    HB2  PRO  10           HB2      PRO  10  11.722  -5.613  -8.526
   56    HB3  PRO  10           HB1      PRO  10  13.484  -5.745  -8.613
   57    HG2  PRO  10           HG2      PRO  10  11.678  -5.994  -6.242
   58    HG3  PRO  10           HG1      PRO  10  13.105  -6.955  -6.670
   59    HD2  PRO  10           HD2      PRO  10  13.090  -4.865  -4.854
   60    HD3  PRO  10           HD1      PRO  10  14.533  -5.466  -5.694
   61    H    SER  11           HN       SER  11  10.921  -3.620  -9.520
   62    HA   SER  11           HA       SER  11   9.341  -1.675  -8.206
   63    HG   SER  11           HG       SER  11   6.806  -2.124  -9.569
   64    HB2  SER  11           HB2      SER  11   9.401  -2.200 -10.703
   65    HB3  SER  11           HB1      SER  11   8.343  -3.563 -10.338
   66    H    SER  12           HN       SER  12   6.883  -2.154  -7.917
   67    HA   SER  12           HA       SER  12   5.292  -3.049  -6.563
   68    HG   SER  12           HG       SER  12   3.959  -4.889  -8.112
   69    HB2  SER  12           HB2      SER  12   6.610  -5.542  -7.635
   70    HB3  SER  12           HB1      SER  12   5.215  -5.614  -6.558
   71    H    ASP  13           HN       ASP  13   7.718  -2.202  -5.319
   72    HA   ASP  13           HA       ASP  13   7.413  -3.558  -2.792
   73    HB2  ASP  13           HB2      ASP  13   9.369  -4.550  -4.448
   74    HB3  ASP  13           HB1      ASP  13  10.262  -3.388  -3.472
   75    H    THR  14           HN       THR  14   8.991  -2.538  -1.136
   76    HA   THR  14           HA       THR  14   9.406   0.306  -1.768
   77    HB   THR  14           HB       THR  14   7.683   0.787  -0.408
   78    HG1  THR  14           HG1      THR  14   9.440   1.314   0.959
   79   HG21  THR  14          3HG2      THR  14   7.150  -1.746  -0.430
   80   HG22  THR  14          1HG2      THR  14   6.456  -0.748   0.847
   81   HG23  THR  14          2HG2      THR  14   7.867  -1.751   1.181
   82    H    CYS  15           HN       CYS  15  11.285   1.153  -1.088
   83    HA   CYS  15           HA       CYS  15  12.997  -0.531   0.623
   84    HB2  CYS  15           HB2      CYS  15  14.218  -0.523  -1.313
   85    HB3  CYS  15           HB1      CYS  15  13.542   1.006  -1.860
   86    H    CYS  16           HN       CYS  16  13.717   0.330   2.477
   87    HA   CYS  16           HA       CYS  16  13.698   3.247   2.784
   88    HG   CYS  16           HG       CYS  16  11.554   4.181   5.653
   89    HB2  CYS  16           HB2      CYS  16  11.833   1.489   3.994
   90    HB3  CYS  16           HB1      CYS  16  12.917   2.048   5.265
   91    H    GLN  17           HN       GLN  17  14.603   3.681   5.179
   92    HA   GLN  17           HA       GLN  17  17.303   2.705   5.108
   93    HB2  GLN  17           HB2      GLN  17  15.991   4.980   6.109
   94    HB3  GLN  17           HB1      GLN  17  16.652   4.160   7.516
   95    HG2  GLN  17           HG2      GLN  17  18.681   4.135   5.585
   96    HG3  GLN  17           HG1      GLN  17  17.982   5.753   5.545
   97   HE21  GLN  17          1HE2      GLN  17  20.140   6.333   6.331
   98   HE22  GLN  17          2HE2      GLN  17  20.442   6.277   8.032
   99    H    LEU  18           HN       LEU  18  18.363   1.991   7.195
  100    HA   LEU  18           HA       LEU  18  16.586   0.281   8.792
  101    HG   LEU  18           HG       LEU  18  16.403  -1.451   7.001
  102    HB2  LEU  18           HB2      LEU  18  18.788  -0.534   7.038
  103    HB3  LEU  18           HB1      LEU  18  18.900  -1.187   8.661
  104   HD11  LEU  18          1HD1      LEU  18  17.265  -3.810   6.610
  105   HD12  LEU  18          2HD1      LEU  18  18.853  -3.186   7.059
  106   HD13  LEU  18          3HD1      LEU  18  18.006  -2.522   5.662
  107   HD21  LEU  18          3HD2      LEU  18  15.874  -1.924   9.208
  108   HD22  LEU  18          1HD2      LEU  18  17.448  -2.651   9.536
  109   HD23  LEU  18          2HD2      LEU  18  16.265  -3.515   8.554
  110    H    THR  19           HN       THR  19  17.115   0.076  10.927
  111    HA   THR  19           HA       THR  19  18.854   2.060  12.030
  112    HB   THR  19           HB       THR  19  18.290   0.704  14.209
  113    HG1  THR  19           HG1      THR  19  16.494  -0.596  14.005
  114   HG21  THR  19          3HG2      THR  19  16.768   2.315  14.574
  115   HG22  THR  19          1HG2      THR  19  15.792   1.833  13.187
  116   HG23  THR  19          2HG2      THR  19  17.191   2.882  12.958
  117    H    SER  20           HN       SER  20  19.591  -0.770  10.603
  118    HA   SER  20           HA       SER  20  21.498  -1.807  12.498
  119    HG   SER  20           HG       SER  20  20.314  -4.111  11.705
  120    HB2  SER  20           HB2      SER  20  21.102  -2.474   9.571
  121    HB3  SER  20           HB1      SER  20  22.091  -3.385  10.711
  122    H    GLY  21           HN       GLY  21  21.513   0.420   9.826
  123    HA2  GLY  21           HA2      GLY  21  23.453   2.034  10.085
  124    HA3  GLY  21           HA1      GLY  21  24.456   0.594  10.005
  125    H    GLU  22           HN       GLU  22  22.140  -0.250   7.991
  126    HA   GLU  22           HA       GLU  22  23.240   1.202   5.677
  127    HB2  GLU  22           HB2      GLU  22  22.567  -1.740   5.648
  128    HB3  GLU  22           HB1      GLU  22  23.382  -0.814   4.397
  129    HG2  GLU  22           HG2      GLU  22  25.351  -0.624   5.680
  130    HG3  GLU  22           HG1      GLU  22  24.542  -1.196   7.139
  131    H    TRP  23           HN       TRP  23  21.771   0.135   3.672
  132    HA   TRP  23           HA       TRP  23  19.043   0.958   4.390
  133    HD1  TRP  23           HD1      TRP  23  21.854   3.032   3.350
  134    HE1  TRP  23           HE1      TRP  23  21.203   5.514   3.546
  135    HE3  TRP  23           HE3      TRP  23  17.005   2.729   1.757
  136    HZ2  TRP  23           HZ2      TRP  23  18.936   7.130   3.086
  137    HZ3  TRP  23           HZ3      TRP  23  15.664   4.791   1.664
  138    HH2  TRP  23           HH2      TRP  23  16.611   6.945   2.315
  139    HB2  TRP  23           HB2      TRP  23  20.606   1.032   1.821
  140    HB3  TRP  23           HB1      TRP  23  18.849   1.128   1.808
  141    H    GLY  24           HN       GLY  24  17.233  -0.199   3.445
  142    HA2  GLY  24           HA2      GLY  24  17.733  -2.791   2.255
  143    HA3  GLY  24           HA1      GLY  24  17.124  -2.865   3.901
  144    H    CYS  25           HN       CYS  25  15.555  -4.094   2.261
  145    HA   CYS  25           HA       CYS  25  13.441  -2.188   1.508
  146    HB2  CYS  25           HB2      CYS  25  13.922  -4.977   0.439
  147    HB3  CYS  25           HB1      CYS  25  12.645  -3.881  -0.078
  148    H    CYS  26           HN       CYS  26  11.232  -2.889   1.820
  149    HA   CYS  26           HA       CYS  26  10.922  -4.283   4.353
  150    HG   CYS  26           HG       CYS  26   7.381  -3.423   5.172
  151    HB2  CYS  26           HB2      CYS  26   9.609  -2.399   4.439
  152    HB3  CYS  26           HB1      CYS  26   9.275  -2.422   2.712
  153    HA   PRO  27           HA       PRO  27   9.675  -8.320   3.086
  154    HB2  PRO  27           HB2      PRO  27   7.091  -7.561   4.410
  155    HB3  PRO  27           HB1      PRO  27   8.006  -9.070   4.523
  156    HG2  PRO  27           HG2      PRO  27   8.150  -7.210   6.445
  157    HG3  PRO  27           HG1      PRO  27   9.559  -8.180   5.982
  158    HD2  PRO  27           HD2      PRO  27   9.015  -5.324   5.511
  159    HD3  PRO  27           HD1      PRO  27  10.560  -6.193   5.507
  160    H    ILE  28           HN       ILE  28   9.194  -8.743   1.044
  161    HA   ILE  28           HA       ILE  28   7.845  -7.202  -0.760
  162    HB   ILE  28           HB       ILE  28   9.194  -9.104  -1.438
  163   HG12  ILE  28          2HG1      ILE  28   6.361  -9.569  -2.384
  164   HG13  ILE  28          1HG1      ILE  28   7.349  -8.215  -2.923
  165   HG21  ILE  28          1HG2      ILE  28   8.750 -10.730   0.206
  166   HG22  ILE  28          2HG2      ILE  28   8.152 -11.408  -1.309
  167   HG23  ILE  28          3HG2      ILE  28   7.020 -10.723  -0.141
  168   HD11  ILE  28          3HD1      ILE  28   7.211 -10.361  -4.359
  169   HD12  ILE  28          1HD1      ILE  28   8.369 -11.005  -3.196
  170   HD13  ILE  28          2HD1      ILE  28   8.769  -9.566  -4.133
  171    HA   PRO  29           HA       PRO  29   3.573  -7.485   0.448
  172    HB2  PRO  29           HB2      PRO  29   2.906  -6.425  -2.189
  173    HB3  PRO  29           HB1      PRO  29   2.743  -5.658  -0.608
  174    HG2  PRO  29           HG2      PRO  29   4.560  -4.844  -2.443
  175    HG3  PRO  29           HG1      PRO  29   4.843  -4.727  -0.696
  176    HD2  PRO  29           HD2      PRO  29   5.847  -6.769  -2.647
  177    HD3  PRO  29           HD1      PRO  29   6.704  -5.969  -1.312
  178    H    GLU  30           HN       GLU  30   4.085  -9.929   0.053
  179    HA   GLU  30           HA       GLU  30   2.109 -10.878  -1.878
  180    HB2  GLU  30           HB2      GLU  30   4.841 -11.045  -2.405
  181    HB3  GLU  30           HB1      GLU  30   4.413 -12.646  -1.817
  182    HG2  GLU  30           HG2      GLU  30   3.554 -13.158  -3.783
  183    HG3  GLU  30           HG1      GLU  30   2.422 -11.812  -3.661
  184    H    ALA  31           HN       ALA  31   2.190 -13.503  -1.593
  185    HA   ALA  31           HA       ALA  31   1.728 -13.910   1.282
  186    HB1  ALA  31           HB1      ALA  31   0.001 -14.328  -0.742
  187    HB2  ALA  31           HB2      ALA  31  -0.041 -15.219   0.779
  188    HB3  ALA  31           HB3      ALA  31   0.744 -15.924  -0.634
  189    H    VAL  32           HN       VAL  32   3.094 -15.492  -1.585
  190    HA   VAL  32           HA       VAL  32   4.816 -17.075   0.208
  191    HB   VAL  32           HB       VAL  32   4.870 -18.754  -1.753
  192   HG11  VAL  32          1HG1      VAL  32   2.807 -18.333   0.307
  193   HG12  VAL  32          2HG1      VAL  32   3.851 -19.722   0.010
  194   HG13  VAL  32          3HG1      VAL  32   2.398 -19.486  -0.962
  195   HG21  VAL  32          3HG2      VAL  32   2.954 -18.796  -3.204
  196   HG22  VAL  32          1HG2      VAL  32   3.735 -17.222  -3.351
  197   HG23  VAL  32          2HG2      VAL  32   2.258 -17.389  -2.400
  198    H    CYS  33           HN       CYS  33   6.873 -16.480   0.036
  199    HA   CYS  33           HA       CYS  33   7.947 -15.806  -2.609
  200    HG   CYS  33           HG       CYS  33   8.905 -14.479   1.278
  201    HB2  CYS  33           HB2      CYS  33   9.294 -13.969  -1.409
  202    HB3  CYS  33           HB1      CYS  33   7.603 -13.641  -1.773
  203    H    CYS  34           HN       CYS  34   9.653 -17.038  -3.012
  204    HA   CYS  34           HA       CYS  34  11.029 -18.396  -0.845
  205    HB2  CYS  34           HB2      CYS  34  10.581 -19.818  -2.675
  206    HB3  CYS  34           HB1      CYS  34  11.111 -18.619  -3.848
  207    H    SER  35           HN       SER  35  11.508 -15.731  -2.991
  208    HA   SER  35           HA       SER  35  13.122 -14.145  -3.156
  209    HG   SER  35           HG       SER  35  12.531 -13.090  -1.538
  210    HB2  SER  35           HB2      SER  35  13.562 -15.263  -0.446
  211    HB3  SER  35           HB1      SER  35  14.896 -14.335  -1.131
  212    H    ASP  36           HN       ASP  36  15.369 -13.801  -3.706
  213    HA   ASP  36           HA       ASP  36  17.232 -15.941  -3.819
  214    HB2  ASP  36           HB2      ASP  36  15.325 -16.116  -5.797
  215    HB3  ASP  36           HB1      ASP  36  16.622 -15.237  -6.600
  216    H    HIS  37           HN       HIS  37  18.932 -15.266  -5.735
  217    HA   HIS  37           HA       HIS  37  19.480 -12.408  -5.264
  218    HD1  HIS  37           HD1      HIS  37  20.634 -13.648  -2.428
  219    HD2  HIS  37           HD2      HIS  37  23.024 -11.412  -4.989
  220    HE1  HIS  37           HE1      HIS  37  21.740 -11.918  -0.977
  221    HE2  HIS  37           HE2      HIS  37  23.243 -10.627  -2.534
  222    HB2  HIS  37           HB2      HIS  37  21.095 -14.741  -4.793
  223    HB3  HIS  37           HB1      HIS  37  21.880 -13.713  -5.987
  224    H    GLN  38           HN       GLN  38  18.848 -14.789  -7.580
  225    HA   GLN  38           HA       GLN  38  19.732 -12.978  -9.729
  226    HB2  GLN  38           HB2      GLN  38  19.818 -15.998  -9.685
  227    HB3  GLN  38           HB1      GLN  38  20.064 -15.031 -11.132
  228    HG2  GLN  38           HG2      GLN  38  21.816 -13.952  -9.272
  229    HG3  GLN  38           HG1      GLN  38  21.909 -15.694  -9.014
  230   HE21  GLN  38          1HE2      GLN  38  22.500 -13.081 -11.208
  231   HE22  GLN  38          2HE2      GLN  38  23.424 -13.979 -12.359
  232    H    HIS  39           HN       HIS  39  17.737 -15.920  -9.432
  233    HA   HIS  39           HA       HIS  39  15.843 -14.951 -11.352
  234    HD1  HIS  39           HD1      HIS  39  15.081 -19.408 -11.608
  235    HD2  HIS  39           HD2      HIS  39  14.773 -15.503 -12.996
  236    HE1  HIS  39           HE1      HIS  39  14.217 -19.597 -13.962
  237    HE2  HIS  39           HE2      HIS  39  13.971 -17.219 -14.757
  238    HB2  HIS  39           HB2      HIS  39  16.523 -17.448 -10.287
  239    HB3  HIS  39           HB1      HIS  39  14.873 -17.162  -9.746
  240    H    CYS  40           HN       CYS  40  13.396 -15.673 -10.385
  241    HA   CYS  40           HA       CYS  40  12.967 -14.191  -7.904
  242    HG   CYS  40           HG       CYS  40  11.858 -12.046 -11.792
  243    HB2  CYS  40           HB2      CYS  40  10.926 -13.147  -9.284
  244    HB3  CYS  40           HB1      CYS  40  12.499 -12.365  -9.190
  245    H    CYS  41           HN       CYS  41  12.665 -16.595  -7.465
  246    HA   CYS  41           HA       CYS  41  10.039 -17.578  -8.302
  247    HB2  CYS  41           HB2      CYS  41  12.541 -18.823  -7.691
  248    HB3  CYS  41           HB1      CYS  41  11.322 -19.435  -6.580
  249    HA   PRO  42           HA       PRO  42   8.431 -16.583  -4.277
  250    HB2  PRO  42           HB2      PRO  42   5.930 -17.416  -4.639
  251    HB3  PRO  42           HB1      PRO  42   6.574 -16.064  -5.579
  252    HG2  PRO  42           HG2      PRO  42   6.105 -18.888  -6.399
  253    HG3  PRO  42           HG1      PRO  42   5.947 -17.401  -7.347
  254    HD2  PRO  42           HD2      PRO  42   8.144 -19.171  -7.342
  255    HD3  PRO  42           HD1      PRO  42   8.091 -17.552  -8.066
  256    H    GLN  43           HN       GLN  43   7.075 -17.708  -2.526
  257    HA   GLN  43           HA       GLN  43   8.331 -20.219  -1.911
  258    HB2  GLN  43           HB2      GLN  43   6.914 -18.168  -0.456
  259    HB3  GLN  43           HB1      GLN  43   6.285 -19.756  -0.043
  260    HG2  GLN  43           HG2      GLN  43   8.982 -20.172   0.038
  261    HG3  GLN  43           HG1      GLN  43   8.839 -18.514   0.621
  262   HE21  GLN  43          1HE2      GLN  43   9.184 -18.742   2.741
  263   HE22  GLN  43          2HE2      GLN  43   8.254 -19.747   3.795
  264    H    GLY  44           HN       GLY  44   5.767 -19.430  -3.808
  265    HA2  GLY  44           HA2      GLY  44   3.763 -21.269  -3.094
  266    HA3  GLY  44           HA1      GLY  44   4.029 -20.632  -4.713
  267    H    TYR  45           HN       TYR  45   6.890 -21.837  -4.039
  268    HA   TYR  45           HA       TYR  45   6.315 -24.646  -4.606
  269    HD1  TYR  45           HD1      TYR  45   5.438 -25.012  -7.447
  270    HD2  TYR  45           HD2      TYR  45   7.200 -21.166  -6.983
  271    HE1  TYR  45           HE1      TYR  45   3.756 -24.063  -8.969
  272    HE2  TYR  45           HE2      TYR  45   5.522 -20.207  -8.504
  273    HH   TYR  45           HH       TYR  45   3.930 -20.725 -10.053
  274    HB2  TYR  45           HB2      TYR  45   8.353 -23.118  -6.225
  275    HB3  TYR  45           HB1      TYR  45   7.718 -24.732  -6.525
  276    H    THR  46           HN       THR  46   8.557 -25.866  -4.636
  277    HA   THR  46           HA       THR  46  10.001 -24.921  -2.267
  278    HB   THR  46           HB       THR  46  10.128 -27.640  -3.589
  279    HG1  THR  46           HG1      THR  46   8.282 -26.549  -1.954
  280   HG21  THR  46          3HG2      THR  46  12.147 -27.060  -2.317
  281   HG22  THR  46          1HG2      THR  46  11.234 -28.346  -1.528
  282   HG23  THR  46          2HG2      THR  46  11.151 -26.698  -0.908
  283    H    CYS  47           HN       CYS  47  11.957 -24.085  -2.428
  284    HA   CYS  47           HA       CYS  47  13.252 -23.947  -5.008
  285    HB2  CYS  47           HB2      CYS  47  14.712 -22.829  -2.728
  286    HB3  CYS  47           HB1      CYS  47  14.202 -22.058  -4.226
  287    H    VAL  48           HN       VAL  48  13.989 -26.030  -5.397
  288    HA   VAL  48           HA       VAL  48  16.107 -27.000  -3.591
  289    HB   VAL  48           HB       VAL  48  15.596 -29.168  -5.118
  290   HG11  VAL  48          1HG1      VAL  48  14.757 -28.238  -2.461
  291   HG12  VAL  48          2HG1      VAL  48  15.586 -29.719  -2.941
  292   HG13  VAL  48          3HG1      VAL  48  13.835 -29.596  -3.106
  293   HG21  VAL  48          3HG2      VAL  48  12.838 -28.098  -4.634
  294   HG22  VAL  48          1HG2      VAL  48  13.349 -29.443  -5.654
  295   HG23  VAL  48          2HG2      VAL  48  13.682 -27.785  -6.152
  296    H    ALA  49           HN       ALA  49  17.877 -28.185  -4.658
  297    HA   ALA  49           HA       ALA  49  19.629 -28.266  -6.096
  298    HB1  ALA  49           HB1      ALA  49  19.104 -28.236  -8.528
  299    HB2  ALA  49           HB2      ALA  49  17.439 -27.825  -8.117
  300    HB3  ALA  49           HB3      ALA  49  18.122 -29.365  -7.596
  301    H    GLU  50           HN       GLU  50  17.981 -26.002  -8.213
  302    HA   GLU  50           HA       GLU  50  19.571 -23.779  -7.199
  303    HB2  GLU  50           HB2      GLU  50  19.843 -24.989  -9.927
  304    HB3  GLU  50           HB1      GLU  50  20.164 -23.279  -9.678
  305    HG2  GLU  50           HG2      GLU  50  21.489 -25.193  -7.850
  306    HG3  GLU  50           HG1      GLU  50  22.054 -25.132  -9.519
  307    H    GLY  51           HN       GLY  51  18.399 -23.511 -10.392
  308    HA2  GLY  51           HA2      GLY  51  16.446 -21.552  -9.539
  309    HA3  GLY  51           HA1      GLY  51  16.913 -21.909 -11.194
  310    H    GLN  52           HN       GLN  52  16.057 -24.587  -9.213
  311    HA   GLN  52           HA       GLN  52  13.606 -24.916 -10.779
  312    HB2  GLN  52           HB2      GLN  52  15.604 -26.690 -10.205
  313    HB3  GLN  52           HB1      GLN  52  14.413 -27.095  -8.975
  314    HG2  GLN  52           HG2      GLN  52  12.724 -27.219 -10.860
  315    HG3  GLN  52           HG1      GLN  52  14.102 -27.164 -11.958
  316   HE21  GLN  52          1HE2      GLN  52  12.421 -29.291 -12.012
  317   HE22  GLN  52          2HE2      GLN  52  13.210 -30.692 -11.378
  318    H    CYS  53           HN       CYS  53  11.660 -24.621  -9.916
  319    HA   CYS  53           HA       CYS  53  11.396 -24.689  -6.985
  320    HB2  CYS  53           HB2      CYS  53   9.696 -22.826  -8.585
  321    HB3  CYS  53           HB1      CYS  53  10.240 -22.693  -6.916
  322    H    GLN  54           HN       GLN  54   9.925 -26.074  -6.291
  323    HA   GLN  54           HA       GLN  54   7.430 -26.476  -7.684
  324    HB2  GLN  54           HB2      GLN  54   9.246 -28.042  -8.709
  325    HB3  GLN  54           HB1      GLN  54   9.057 -28.955  -7.218
  326    HG2  GLN  54           HG2      GLN  54   6.705 -29.286  -7.683
  327    HG3  GLN  54           HG1      GLN  54   6.834 -28.300  -9.138
  328   HE21  GLN  54          1HE2      GLN  54   6.493 -29.679 -10.748
  329   HE22  GLN  54          2HE2      GLN  54   7.359 -31.151 -11.005
  330    H    LYS  55           HN       LYS  55   5.959 -26.471  -6.098
  331    HA   LYS  55           HA       LYS  55   6.701 -26.950  -3.373
  332    HB2  LYS  55           HB2      LYS  55   4.570 -25.669  -4.713
  333    HB3  LYS  55           HB1      LYS  55   3.852 -26.939  -3.729
  334    HG2  LYS  55           HG2      LYS  55   5.836 -25.553  -2.200
  335    HG3  LYS  55           HG1      LYS  55   4.713 -24.391  -2.910
  336    HD2  LYS  55           HD2      LYS  55   2.862 -25.936  -2.046
  337    HD3  LYS  55           HD1      LYS  55   4.122 -26.691  -1.068
  338    HE2  LYS  55           HE2      LYS  55   4.471 -23.966  -0.669
  339    HE3  LYS  55           HE1      LYS  55   2.723 -24.186  -0.677
  340    HZ1  LYS  55           HZ1      LYS  55   4.497 -25.910   0.943
  341    HZ2  LYS  55           HZ2      LYS  55   2.833 -25.662   1.111
  342    HZ3  LYS  55           HZ3      LYS  55   3.916 -24.433   1.530
  343    H    LEU  56           HN       LEU  56   4.388 -28.195  -2.406
  344    HA   LEU  56           HA       LEU  56   3.527 -30.234  -1.890
  345    HG   LEU  56           HG       LEU  56   3.377 -28.971  -4.772
  346    HB2  LEU  56           HB2      LEU  56   4.397 -31.417  -4.485
  347    HB3  LEU  56           HB1      LEU  56   2.909 -31.662  -3.590
  348   HD11  LEU  56          1HD1      LEU  56   2.649 -29.616  -6.943
  349   HD12  LEU  56          2HD1      LEU  56   2.382 -31.281  -6.427
  350   HD13  LEU  56          3HD1      LEU  56   4.022 -30.639  -6.523
  351   HD21  LEU  56          3HD2      LEU  56   0.984 -30.758  -4.360
  352   HD22  LEU  56          1HD2      LEU  56   0.923 -29.185  -5.156
  353   HD23  LEU  56          2HD2      LEU  56   1.400 -29.298  -3.461
  354    H    ALA  57           HN       ALA  57   4.301 -32.808  -2.352
  355    HA   ALA  57           HA       ALA  57   5.770 -34.398  -1.655
  356    HB1  ALA  57           HB1      ALA  57   7.150 -32.836  -3.481
  357    HB2  ALA  57           HB2      ALA  57   7.634 -34.421  -2.875
  358    HB3  ALA  57           HB3      ALA  57   8.246 -32.958  -2.104
  359    H    ALA  58           HN       ALA  58   4.838 -32.364   0.205
  360    HA   ALA  58           HA       ALA  58   7.094 -31.996   2.023
  361    HB1  ALA  58           HB1      ALA  58   6.008 -30.208   2.809
  362    HB2  ALA  58           HB2      ALA  58   4.486 -31.088   2.958
  363    HB3  ALA  58           HB3      ALA  58   4.954 -30.393   1.406
  364    H    ALA  59           HN       ALA  59   5.612 -34.598   1.401
  365    HA   ALA  59           HA       ALA  59   5.046 -36.500   2.509
  366    HB1  ALA  59           HB1      ALA  59   5.959 -36.888   4.673
  367    HB2  ALA  59           HB2      ALA  59   6.080 -35.159   4.999
  368    HB3  ALA  59           HB3      ALA  59   7.120 -35.903   3.784
  369    H    LEU  60           HN       LEU  60   2.880 -36.657   2.447
  370    HA   LEU  60           HA       LEU  60   1.364 -35.368   4.621
  371    HG   LEU  60           HG       LEU  60   1.816 -33.733   2.576
  372    HB2  LEU  60           HB2      LEU  60   0.187 -36.106   1.955
  373    HB3  LEU  60           HB1      LEU  60  -0.487 -35.056   3.186
  374   HD11  LEU  60          1HD1      LEU  60   1.147 -35.478   0.318
  375   HD12  LEU  60          2HD1      LEU  60   2.654 -34.652   0.711
  376   HD13  LEU  60          3HD1      LEU  60   1.354 -33.777  -0.098
  377   HD21  LEU  60          3HD2      LEU  60  -0.599 -32.954   2.739
  378   HD22  LEU  60          1HD2      LEU  60  -0.726 -33.340   1.023
  379   HD23  LEU  60          2HD2      LEU  60   0.429 -32.124   1.571
  380    H    GLU  61           HN       GLU  61  -0.480 -36.532   5.417
  381    HA   GLU  61           HA       GLU  61   0.029 -39.352   5.629
  382    HB2  GLU  61           HB2      GLU  61  -2.204 -37.651   6.753
  383    HB3  GLU  61           HB1      GLU  61  -1.921 -39.338   7.163
  384    HG2  GLU  61           HG2      GLU  61   0.519 -38.086   7.606
  385    HG3  GLU  61           HG1      GLU  61  -0.688 -36.953   8.211
  386    H    HIS  62           HN       HIS  62  -1.308 -41.045   4.982
  387    HA   HIS  62           HA       HIS  62  -3.051 -40.395   2.718
  388    HD1  HIS  62           HD1      HIS  62  -1.620 -40.788   0.511
  389    HD2  HIS  62           HD2      HIS  62  -3.676 -44.327   1.222
  390    HE1  HIS  62           HE1      HIS  62  -2.505 -41.513  -1.729
  391    HE2  HIS  62           HE2      HIS  62  -3.711 -43.679  -1.281
  392    HB2  HIS  62           HB2      HIS  62  -1.056 -42.205   2.849
  393    HB3  HIS  62           HB1      HIS  62  -2.408 -43.222   3.334
  394    H    HIS  63           HN       HIS  63  -4.915 -39.784   3.823
  395    HA   HIS  63           HA       HIS  63  -6.122 -41.195   5.918
  396    HD1  HIS  63           HD1      HIS  63  -6.127 -37.161   4.600
  397    HD2  HIS  63           HD2      HIS  63  -7.433 -39.465   7.802
  398    HE1  HIS  63           HE1      HIS  63  -5.737 -35.751   6.646
  399    HE2  HIS  63           HE2      HIS  63  -6.447 -37.203   8.579
  400    HB2  HIS  63           HB2      HIS  63  -7.169 -39.278   3.852
  401    HB3  HIS  63           HB1      HIS  63  -8.258 -40.040   5.007
  402    H    HIS  64           HN       HIS  64  -7.725 -42.750   5.995
  403    HA   HIS  64           HA       HIS  64  -7.686 -44.733   3.994
  404    HD1  HIS  64           HD1      HIS  64  -6.578 -46.244   5.007
  405    HD2  HIS  64           HD2      HIS  64 -10.307 -47.540   6.305
  406    HE1  HIS  64           HE1      HIS  64  -6.414 -48.751   5.128
  407    HE2  HIS  64           HE2      HIS  64  -8.665 -49.510   5.966
  408    HB2  HIS  64           HB2      HIS  64  -8.614 -44.523   6.625
  409    HB3  HIS  64           HB1      HIS  64 -10.046 -44.888   5.668
  410    H    HIS  65           HN       HIS  65  -8.358 -44.109   2.000
  411    HA   HIS  65           HA       HIS  65 -10.976 -42.822   1.733
  412    HD1  HIS  65           HD1      HIS  65  -7.824 -40.814  -1.039
  413    HD2  HIS  65           HD2      HIS  65 -10.353 -40.734   2.258
  414    HE1  HIS  65           HE1      HIS  65  -7.567 -38.516  -0.050
  415    HE2  HIS  65           HE2      HIS  65  -9.069 -38.506   1.973
  416    HB2  HIS  65           HB2      HIS  65  -8.659 -43.187  -0.162
  417    HB3  HIS  65           HB1      HIS  65 -10.240 -42.649  -0.719
  418    H    HIS  66           HN       HIS  66 -11.965 -43.595  -0.577
  419    HA   HIS  66           HA       HIS  66 -12.846 -46.273  -0.073
  420    HD1  HIS  66           HD1      HIS  66 -14.811 -43.635   0.516
  421    HD2  HIS  66           HD2      HIS  66 -16.118 -46.915  -1.674
  422    HE1  HIS  66           HE1      HIS  66 -17.040 -44.256   1.501
  423    HE2  HIS  66           HE2      HIS  66 -17.845 -46.199   0.113
  424    HB2  HIS  66           HB2      HIS  66 -13.600 -44.063  -1.866
  425    HB3  HIS  66           HB1      HIS  66 -13.854 -45.670  -2.539
  426    H    HIS  67           HN       HIS  67 -12.865 -47.961  -1.764
  427    HA   HIS  67           HA       HIS  67 -10.851 -47.864  -3.816
  428    HD1  HIS  67           HD1      HIS  67 -10.751 -51.726  -1.475
  429    HD2  HIS  67           HD2      HIS  67 -10.473 -48.088   0.514
  430    HE1  HIS  67           HE1      HIS  67 -11.361 -52.218   0.914
  431    HE2  HIS  67           HE2      HIS  67 -11.130 -50.014   2.112
  432    HB2  HIS  67           HB2      HIS  67  -9.652 -49.906  -2.863
  433    HB3  HIS  67           HB1      HIS  67  -9.325 -48.364  -2.078