*HEADER    SIGNALING PROTEIN                       28-FEB-18   6CKU              
*TITLE     SOLUTION STRUCTURE OF THE ZEBRAFISH GRANULIN AAE                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRANULIN-AAE;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 793-848;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DANIO RERIO;                                    
*SOURCE   3 ORGANISM_COMMON: ZEBRAFISH;                                          
*SOURCE   4 ORGANISM_TAXID: 7955;                                                
*SOURCE   5 GENE: GRNA;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    GRANULIN/EPITHELIN MODULE, BETA-HAIRPIN STACK, PROGRANULINS,          
*KEYWDS   2 SIGNALING PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    16                                                                    
*AUTHOR    P.WANG,F.NI                                                           
*REVDAT   1   13-JUN-18 6CKU    0                                                
# Restraints file 1: noesy2d_h2o.tbl
 ASSI {    7}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.600     1.600 peak     6 weight  1.000000E+00 volume  7.26000E-02 ppm1      9.791 ppm2      2.810 CV     1

 ASSI {    8}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.600     1.600 peak     7 weight  1.000000E+00 volume  5.12000E-02 ppm1      9.790 ppm2      2.706 CV     1

 ASSI {    9}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak     8 weight  1.000000E+00 volume  5.95700E-01 ppm1      9.790 ppm2      5.513 CV     1

 ASSI {   12}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      3.400     1.600     1.600 peak    11 weight  1.000000E+00 volume  1.01580E+00 ppm1      8.486 ppm2      4.611 CV     1

 ASSI {   13}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      3.400     1.600     1.600 peak    12 weight  1.000000E+00 volume  1.50100E+00 ppm1      8.480 ppm2      3.691 CV     1

 ASSI {   21}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.600     1.600 peak    20 weight  1.000000E+00 volume  2.41100E-01 ppm1      9.791 ppm2      3.728 CV     1

 ASSI {   23}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak    22 weight  1.000000E+00 volume  6.23000E-02 ppm1      9.790 ppm2      1.269 CV     1

 ASSI {   25}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.600     1.600 peak    24 weight  1.000000E+00 volume  2.28590E+00 ppm1      8.934 ppm2      4.517 CV     1

 ASSI {   26}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.600     1.600 peak    25 weight  1.000000E+00 volume  7.28000E-02 ppm1      8.934 ppm2      3.737 CV     1

 ASSI {   27}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak    26 weight  1.000000E+00 volume  1.15660E+00 ppm1      8.935 ppm2      1.257 CV     1

 ASSI {   32}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.600     1.600 peak    31 weight  1.000000E+00 volume  1.48590E+00 ppm1      9.244 ppm2      5.173 CV     1

 ASSI {   35}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.600     1.600 peak    34 weight  1.000000E+00 volume  1.03200E-01 ppm1      9.247 ppm2      2.734 CV     1

 ASSI {   36}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.400     1.600     1.600 peak    35 weight  1.000000E+00 volume  6.03800E-01 ppm1      9.253 ppm2      3.160 CV     1

 ASSI {   38}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.600     1.600 peak    37 weight  1.000000E+00 volume  7.27400E-01 ppm1      8.677 ppm2      4.774 CV     1

 ASSI {   43}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak    42 weight  1.000000E+00 volume  5.44700E-01 ppm1      8.678 ppm2      2.425 CV     1

 ASSI {   44}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.400     1.600     1.600 peak    43 weight  1.000000E+00 volume  3.18100E-01 ppm1      8.677 ppm2      2.107 CV     1

 ASSI {   45}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     1.600     1.600 peak    44 weight  1.000000E+00 volume  5.25000E-02 ppm1      8.682 ppm2      1.984 CV     1

 ASSI {   46}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.600     1.600 peak    45 weight  1.000000E+00 volume  1.01750E+00 ppm1      8.677 ppm2      1.857 CV     1

 ASSI {   47}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.400     1.600     1.600 peak    46 weight  1.000000E+00 volume  1.17900E-01 ppm1      8.685 ppm2      2.544 CV     1

 ASSI {   48}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     1.600     1.600 peak    47 weight  1.000000E+00 volume  7.63000E-02 ppm1      8.686 ppm2      2.714 CV     1

 ASSI {   50}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      3.400     1.600     1.600 peak    49 weight  1.000000E+00 volume  2.43700E-01 ppm1      7.762 ppm2      3.596 CV     1

 ASSI {   51}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      3.400     1.600     1.600 peak    50 weight  1.000000E+00 volume  2.82100E-01 ppm1      7.766 ppm2      4.223 CV     1

 ASSI {   52}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.600     1.600 peak    51 weight  1.000000E+00 volume  1.74200E-01 ppm1      7.762 ppm2      4.380 CV     1

 ASSI {   53}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.600     1.600 peak    52 weight  1.000000E+00 volume  2.27400E-01 ppm1      8.599 ppm2      3.638 CV     1

 OR {   53}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {   53}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
 ASSI {   54}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.600     1.600 peak    53 weight  1.000000E+00 volume  7.51100E-01 ppm1      8.685 ppm2      4.384 CV     1

 ASSI {   62}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
      3.400     1.600     1.600 peak    61 weight  1.000000E+00 volume  8.10000E-01 ppm1      8.186 ppm2      2.008 CV     1

 ASSI {   65}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak    65 weight  1.000000E+00 volume  4.56000E-02 ppm1      8.182 ppm2      0.861 CV     1

 ASSI {   66}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG21))
      3.400     1.600     1.600 peak    66 weight  1.000000E+00 volume  2.28500E-01 ppm1      8.186 ppm2      0.995 CV     1

 ASSI {   73}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.600     1.600 peak    73 weight  1.000000E+00 volume  4.22900E-01 ppm1      9.665 ppm2      2.748 CV     1

 ASSI {   74}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.600     1.600 peak    74 weight  1.000000E+00 volume  1.80610E+00 ppm1      9.668 ppm2      5.657 CV     1

 ASSI {   77}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.400     1.600     1.600 peak    77 weight  1.000000E+00 volume  1.45570E+00 ppm1      8.646 ppm2      4.142 CV     1

 ASSI {   78}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.600     1.600 peak    78 weight  1.000000E+00 volume  1.99330E+00 ppm1      8.648 ppm2      4.350 CV     1

 ASSI {   80}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG21))
      3.400     1.600     1.600 peak    80 weight  1.000000E+00 volume  5.06300E-01 ppm1      8.649 ppm2      1.231 CV     1

 ASSI {   81}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA2 ))
      3.400     1.600     1.600 peak    81 weight  1.000000E+00 volume  3.05700E-01 ppm1      6.778 ppm2      3.438 CV     1

 ASSI {   82}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA1 ))
      3.400     1.600     1.600 peak    82 weight  1.000000E+00 volume  3.75900E-01 ppm1      6.777 ppm2      3.093 CV     1

 ASSI {   85}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.400     1.600     1.600 peak    85 weight  1.000000E+00 volume  5.25200E-01 ppm1      8.284 ppm2      4.709 CV     1

 ASSI {   86}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.400     1.600     1.600 peak    86 weight  1.000000E+00 volume  6.44200E-01 ppm1      8.290 ppm2      3.884 CV     1

 ASSI {   90}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.600     1.600 peak    90 weight  1.000000E+00 volume  2.43940E+00 ppm1      8.717 ppm2      4.667 CV     1

 ASSI {   91}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
      3.400     1.600     1.600 peak    91 weight  1.000000E+00 volume  2.20200E-01 ppm1      9.237 ppm2      1.997 CV     1

 ASSI {   97}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.600     1.600 peak    97 weight  1.000000E+00 volume  6.70800E-01 ppm1      8.831 ppm2      5.123 CV     1

 ASSI {   98}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.600     1.600 peak    98 weight  1.000000E+00 volume  6.00900E-01 ppm1      8.836 ppm2      4.172 CV     1

 ASSI {  100}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.600     1.600 peak   100 weight  1.000000E+00 volume  8.08200E-01 ppm1      8.717 ppm2      1.786 CV     1

 ASSI {  101}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.400     1.600     1.600 peak   101 weight  1.000000E+00 volume  4.29400E-01 ppm1      8.718 ppm2      1.623 CV     1

 ASSI {  103}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.600     1.600 peak   103 weight  1.000000E+00 volume  2.99400E-01 ppm1      8.830 ppm2      5.652 CV     1

 ASSI {  104}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.600     1.600 peak   104 weight  1.000000E+00 volume  6.27000E-02 ppm1      8.830 ppm2      6.766 CV     1

 ASSI {  105}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.600     1.600 peak   105 weight  1.000000E+00 volume  2.36300E-01 ppm1      9.671 ppm2      5.116 CV     1

 ASSI {  108}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   108 weight  1.000000E+00 volume  5.60400E-01 ppm1      8.803 ppm2      0.946 CV     1

 ASSI {  109}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   109 weight  1.000000E+00 volume  6.83200E-01 ppm1      8.703 ppm2      1.097 CV     1

 ASSI {  110}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   110 weight  1.000000E+00 volume  2.71400E-01 ppm1      8.804 ppm2      1.087 CV     1

 ASSI {  115}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   115 weight  1.000000E+00 volume  1.30960E+00 ppm1      8.836 ppm2      1.291 CV     1

 ASSI {  117}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.600     1.600 peak   117 weight  1.000000E+00 volume  2.42580E+00 ppm1      8.803 ppm2      4.067 CV     1

 ASSI {  121}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.600     1.600 peak   121 weight  1.000000E+00 volume  1.56010E+00 ppm1      9.413 ppm2      5.588 CV     1

 ASSI {  123}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.600     1.600 peak   123 weight  1.000000E+00 volume  3.96200E-01 ppm1      9.414 ppm2      3.959 CV     1

 ASSI {  124}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.600     1.600 peak   124 weight  1.000000E+00 volume  1.19330E+00 ppm1      9.413 ppm2      3.064 CV     1

 ASSI {  129}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      3.400     1.600     1.600 peak   129 weight  1.000000E+00 volume  3.89800E-01 ppm1      8.374 ppm2      4.710 CV     1

 ASSI {  131}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.600     1.600 peak   131 weight  1.000000E+00 volume  8.99400E-01 ppm1      8.374 ppm2      2.647 CV     1

 ASSI {  132}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.400     1.600     1.600 peak   132 weight  1.000000E+00 volume  5.84800E-01 ppm1      8.374 ppm2      2.521 CV     1

 ASSI {  139}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.400     1.600     1.600 peak   139 weight  1.000000E+00 volume  2.12280E+00 ppm1      8.545 ppm2      4.074 CV     1

 ASSI {  147}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.600     1.600 peak   147 weight  1.000000E+00 volume  5.07900E-01 ppm1      7.549 ppm2      4.363 CV     1

 ASSI {  148}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.400     1.600     1.600 peak   148 weight  1.000000E+00 volume  1.07200E-01 ppm1      8.541 ppm2      1.672 CV     1

 ASSI {  160}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.600     1.600 peak   161 weight  1.000000E+00 volume  9.05000E-01 ppm1      8.497 ppm2      3.315 CV     1

 ASSI {  162}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.600     1.600 peak   163 weight  1.000000E+00 volume  5.96400E-01 ppm1      8.497 ppm2      2.841 CV     1

 ASSI {  163}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.600     1.600 peak   164 weight  1.000000E+00 volume  1.87000E+00 ppm1      8.497 ppm2      4.951 CV     1

 ASSI {  165}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.600     1.600 peak   166 weight  1.000000E+00 volume  1.14200E-01 ppm1      8.375 ppm2      4.953 CV     1

 ASSI {  168}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.400     1.600     1.600 peak   170 weight  1.000000E+00 volume  2.51100E-01 ppm1      8.780 ppm2      1.672 CV     1

 ASSI {  170}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.600     1.600 peak   172 weight  1.000000E+00 volume  4.38600E-01 ppm1      8.814 ppm2      2.186 CV     1

 ASSI {  171}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   173 weight  1.000000E+00 volume  4.67100E-01 ppm1      8.813 ppm2      3.657 CV     1

 ASSI {  175}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.600     1.600 peak   177 weight  1.000000E+00 volume  1.27820E+00 ppm1      8.781 ppm2      5.168 CV     1

 ASSI {  176}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   178 weight  1.000000E+00 volume  2.57700E-01 ppm1      8.675 ppm2      3.224 CV     1

 ASSI {  179}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.600     1.600 peak   181 weight  1.000000E+00 volume  1.02680E+00 ppm1      8.596 ppm2      4.123 CV     1

 ASSI {  184}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.600     1.600 peak   186 weight  1.000000E+00 volume  1.72210E+00 ppm1      8.254 ppm2      4.677 CV     1

 ASSI {  185}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.400     1.600     1.600 peak   187 weight  1.000000E+00 volume  5.43600E-01 ppm1      8.253 ppm2      3.075 CV     1

 ASSI {  186}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA1 ))
      3.400     1.600     1.600 peak   188 weight  1.000000E+00 volume  3.54500E-01 ppm1      7.872 ppm2      3.693 CV     1

 ASSI {  188}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA2 ))
      3.400     1.600     1.600 peak   190 weight  1.000000E+00 volume  3.80300E-01 ppm1      7.872 ppm2      4.162 CV     1

 ASSI {  191}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.400     1.600     1.600 peak   193 weight  1.000000E+00 volume  7.85800E-01 ppm1      9.239 ppm2      2.810 CV     1

 ASSI {  192}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.600     1.600 peak   194 weight  1.000000E+00 volume  1.39800E+00 ppm1      9.238 ppm2      4.760 CV     1

 ASSI {  193}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA2 ))
      3.400     1.600     1.600 peak   195 weight  1.000000E+00 volume  3.24300E-01 ppm1      8.213 ppm2      4.269 CV     1

 ASSI {  194}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA1 ))
      3.400     1.600     1.600 peak   196 weight  1.000000E+00 volume  2.35300E-01 ppm1      8.213 ppm2      3.586 CV     1

 ASSI {  196}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.600     1.600 peak   198 weight  1.000000E+00 volume  2.74700E+00 ppm1      8.701 ppm2      4.136 CV     1

 ASSI {  197}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.400     1.600     1.600 peak   199 weight  1.000000E+00 volume  8.40300E-01 ppm1      8.703 ppm2      1.442 CV     1

 ASSI {  201}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 18   and name HG% )
      3.400     1.600     1.600 peak   203 weight  1.000000E+00 volume  4.14500E-01 ppm1      7.207 ppm2      2.026 CV     1

 OR {  201}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
 OR {  201}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  201}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
 ASSI {  202}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   204 weight  1.000000E+00 volume  2.18800E-01 ppm1      7.225 ppm2      1.842 CV     1

 ASSI {  203}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.600     1.600 peak   205 weight  1.000000E+00 volume  8.09000E-02 ppm1      7.206 ppm2      4.286 CV     1

 ASSI {  205}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA1 ))
      3.400     1.600     1.600 peak   207 weight  1.000000E+00 volume  1.73500E-01 ppm1      8.463 ppm2      3.996 CV     1

 ASSI {  207}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
      3.400     1.600     1.600 peak   209 weight  1.000000E+00 volume  3.71500E-01 ppm1      8.628 ppm2      3.663 CV     1

 ASSI {  215}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.400     1.600     1.600 peak   217 weight  1.000000E+00 volume  3.69600E-01 ppm1      8.510 ppm2      1.509 CV     1

 ASSI {  216}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.400     1.600     1.600 peak   218 weight  1.000000E+00 volume  3.67700E-01 ppm1      8.511 ppm2      1.693 CV     1

 ASSI {  217}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
      3.400     1.600     1.600 peak   219 weight  1.000000E+00 volume  1.16700E-01 ppm1      8.510 ppm2      2.032 CV     1

 ASSI {  218}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.400     1.600     1.600 peak   220 weight  1.000000E+00 volume  1.14300E-01 ppm1      8.511 ppm2      2.213 CV     1

 ASSI {  221}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.600     1.600 peak   223 weight  1.000000E+00 volume  1.07120E+00 ppm1      8.812 ppm2      5.003 CV     1

 ASSI {  229}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.400     1.600     1.600 peak   231 weight  1.000000E+00 volume  5.88300E-01 ppm1      9.413 ppm2      1.792 CV     1

 ASSI {  230}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   232 weight  1.000000E+00 volume  4.87100E-01 ppm1      9.413 ppm2      1.293 CV     1

 ASSI {  231}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   233 weight  1.000000E+00 volume  5.18000E-02 ppm1      9.412 ppm2      1.092 CV     1

 ASSI {  232}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   234 weight  1.000000E+00 volume  7.10000E-02 ppm1      9.413 ppm2      0.953 CV     1

 ASSI {  246}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.600     1.600 peak   248 weight  1.000000E+00 volume  1.57460E+00 ppm1      8.021 ppm2      3.971 CV     1

 OR {  246}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
 OR {  246}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  247}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.400     1.600     1.600 peak   249 weight  1.000000E+00 volume  9.88000E-02 ppm1      7.803 ppm2      4.415 CV     1

 ASSI {  248}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.600     1.600 peak   250 weight  1.000000E+00 volume  4.83000E-02 ppm1      7.801 ppm2      4.255 CV     1

 ASSI {  249}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.400     1.600     1.600 peak   251 weight  1.000000E+00 volume  3.02100E-01 ppm1      7.801 ppm2      4.133 CV     1

 ASSI {  251}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.600     1.600 peak   253 weight  1.000000E+00 volume  2.88500E-01 ppm1      8.035 ppm2      1.587 CV     1

 ASSI {  252}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.600     1.600 peak   254 weight  1.000000E+00 volume  2.12400E-01 ppm1      8.035 ppm2      1.667 CV     1

 ASSI {  253}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.400     1.600     1.600 peak   255 weight  1.000000E+00 volume  4.56900E-01 ppm1      8.833 ppm2      3.019 CV     1

 ASSI {  254}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.600     1.600 peak   256 weight  1.000000E+00 volume  6.05500E-01 ppm1      8.058 ppm2      5.587 CV     1

 ASSI {  255}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.600     1.600 peak   257 weight  1.000000E+00 volume  2.36400E-01 ppm1      9.177 ppm2      5.012 CV     1

 ASSI {  256}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     1.600     1.600 peak   258 weight  1.000000E+00 volume  1.61200E-01 ppm1      9.180 ppm2      3.504 CV     1

 ASSI {  257}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.600     1.600 peak   259 weight  1.000000E+00 volume  3.56000E-02 ppm1      9.176 ppm2      2.908 CV     1

 ASSI {  260}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.600     1.600 peak   262 weight  1.000000E+00 volume  1.99400E-01 ppm1      8.142 ppm2      4.358 CV     1

 OR {  260}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 OR {  260}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  261}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.600     1.600 peak   263 weight  1.000000E+00 volume  5.31000E-02 ppm1      8.142 ppm2      2.780 CV     1

 ASSI {  262}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.600     1.600 peak   264 weight  1.000000E+00 volume  3.76000E-02 ppm1      8.144 ppm2      2.910 CV     1

 ASSI {  263}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.600     1.600 peak   265 weight  1.000000E+00 volume  8.93000E-02 ppm1      7.543 ppm2      2.913 CV     1

 ASSI {  264}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     1.600     1.600 peak   266 weight  1.000000E+00 volume  3.39300E-01 ppm1      7.547 ppm2      3.500 CV     1

 ASSI {  265}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.600     1.600 peak   267 weight  1.000000E+00 volume  3.45300E-01 ppm1      8.413 ppm2      4.114 CV     1

 ASSI {  270}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.600     1.600 peak   272 weight  1.000000E+00 volume  3.63000E-01 ppm1      9.252 ppm2      2.329 CV     1

 ASSI {  271}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.600     1.600 peak   273 weight  1.000000E+00 volume  9.59000E-01 ppm1      9.257 ppm2      4.845 CV     1

 ASSI {  274}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.600     1.600 peak   276 weight  1.000000E+00 volume  7.36600E-01 ppm1      6.460 ppm2      4.427 CV     1

 ASSI {  275}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.400     1.600     1.600 peak   277 weight  1.000000E+00 volume  4.08800E-01 ppm1      6.457 ppm2      3.968 CV     1

 ASSI {  276}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG21))
      3.400     1.600     1.600 peak   278 weight  1.000000E+00 volume  3.96000E-02 ppm1      6.475 ppm2      1.088 CV     1

 ASSI {  277}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.600     1.600 peak   279 weight  1.000000E+00 volume  2.92500E-01 ppm1      9.252 ppm2      3.972 CV     1

 ASSI {  278}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.600     1.600 peak   280 weight  1.000000E+00 volume  1.69800E-01 ppm1      8.677 ppm2      3.107 CV     1

 ASSI {  279}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.600     1.600 peak   281 weight  1.000000E+00 volume  3.69100E-01 ppm1      8.676 ppm2      9.780 CV     1

 ASSI {  280}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.600     1.600 peak   282 weight  1.000000E+00 volume  4.41700E-01 ppm1      9.793 ppm2      8.664 CV     1

 ASSI {  281}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG11))
      3.400     1.600     1.600 peak   283 weight  1.000000E+00 volume  4.12000E-01 ppm1      8.540 ppm2      0.881 CV     1

 ASSI {  285}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.600     1.600 peak   287 weight  1.000000E+00 volume  2.53300E-01 ppm1      9.242 ppm2      3.161 CV     1

 ASSI {  286}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.400     1.600     1.600 peak   288 weight  1.000000E+00 volume  4.09300E-01 ppm1      6.589 ppm2      4.567 CV     1

 ASSI {  287}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.600     1.600 peak   289 weight  1.000000E+00 volume  1.10260E+00 ppm1      6.590 ppm2      4.705 CV     1

 ASSI {  288}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.600     1.600 peak   290 weight  1.000000E+00 volume  5.43600E-01 ppm1      8.031 ppm2      4.846 CV     1

 ASSI {  294}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.600     1.600 peak   296 weight  1.000000E+00 volume  5.04700E-01 ppm1      8.058 ppm2      4.641 CV     1

 ASSI {  296}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.600     1.600 peak   298 weight  1.000000E+00 volume  1.20500E-01 ppm1      8.494 ppm2      2.316 CV     1

 ASSI {  299}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.400     1.600     1.600 peak   301 weight  1.000000E+00 volume  9.78000E-02 ppm1      9.094 ppm2      4.505 CV     1

 ASSI {  300}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.400     1.600     1.600 peak   302 weight  1.000000E+00 volume  5.54000E-01 ppm1      6.738 ppm2      7.523 CV     1

 ASSI {  303}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.600     1.600 peak   307 weight  1.000000E+00 volume  1.82500E-01 ppm1      7.534 ppm2      3.971 CV     1

 OR {  303}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 23   and name HB  ))
 OR {  303}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 6    and name HA1 ))
 OR {  303}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
 OR {  303}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 23   and name HB  ))
 ASSI {  306}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.600     1.600 peak   310 weight  1.000000E+00 volume  3.99700E-01 ppm1      7.608 ppm2      4.433 CV     1

 ASSI {  308}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   312 weight  1.000000E+00 volume  1.32600E-01 ppm1      8.375 ppm2      3.659 CV     1

 ASSI {  309}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.600     1.600 peak   313 weight  1.000000E+00 volume  1.78600E-01 ppm1      8.375 ppm2      3.601 CV     1

 ASSI {  310}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.600     1.600 peak   314 weight  1.000000E+00 volume  1.15000E-01 ppm1      8.375 ppm2      8.755 CV     1

 ASSI {  311}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.400     1.600     1.600 peak   315 weight  1.000000E+00 volume  2.49600E-01 ppm1      8.780 ppm2      8.362 CV     1

 ASSI {  313}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.400     1.600     1.600 peak   317 weight  1.000000E+00 volume  4.14700E-01 ppm1      8.275 ppm2      3.940 CV     1

 OR {  313}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  313}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
 OR {  313}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  313}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  319}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.600     1.600 peak   323 weight  1.000000E+00 volume  5.17000E-02 ppm1      8.921 ppm2      2.125 CV     1

 ASSI {  320}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.600     1.600 peak   324 weight  1.000000E+00 volume  9.33000E-01 ppm1      8.596 ppm2      5.167 CV     1

 ASSI {  321}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.600     1.600 peak   325 weight  1.000000E+00 volume  8.63400E-01 ppm1      8.596 ppm2      7.191 CV     1

 ASSI {  322}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.400     1.600     1.600 peak   326 weight  1.000000E+00 volume  6.98300E-01 ppm1      7.205 ppm2      8.584 CV     1

 ASSI {  323}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.600     1.600 peak   327 weight  1.000000E+00 volume  5.93100E-01 ppm1      7.872 ppm2      8.454 CV     1

 ASSI {  324}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.600     1.600 peak   328 weight  1.000000E+00 volume  3.85900E-01 ppm1      8.467 ppm2      7.864 CV     1

 ASSI {  325}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.600     1.600 peak   329 weight  1.000000E+00 volume  6.40000E-02 ppm1      7.203 ppm2      7.861 CV     1

 ASSI {  326}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.600     1.600 peak   330 weight  1.000000E+00 volume  6.02000E-02 ppm1      7.873 ppm2      7.203 CV     1

 ASSI {  327}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.600     1.600 peak   331 weight  1.000000E+00 volume  1.10390E+00 ppm1      7.762 ppm2      8.671 CV     1

 ASSI {  328}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.600     1.600 peak   332 weight  1.000000E+00 volume  4.43400E-01 ppm1      8.684 ppm2      7.751 CV     1

 ASSI {  329}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   333 weight  1.000000E+00 volume  7.37000E-02 ppm1      7.763 ppm2      0.890 CV     1

 ASSI {  330}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.600     1.600 peak   334 weight  1.000000E+00 volume  3.65000E-02 ppm1      9.788 ppm2      5.191 CV     1

 ASSI {  331}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak   335 weight  1.000000E+00 volume  1.74500E-01 ppm1      9.244 ppm2      5.514 CV     1

 ASSI {  332}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.600     1.600 peak   336 weight  1.000000E+00 volume  1.91700E-01 ppm1      8.051 ppm2      6.578 CV     1

 ASSI {  333}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.600     1.600 peak   337 weight  1.000000E+00 volume  2.93500E-01 ppm1      6.589 ppm2      8.035 CV     1

 ASSI {  334}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.600     1.600 peak   338 weight  1.000000E+00 volume  1.20970E+00 ppm1      7.801 ppm2      6.580 CV     1

 ASSI {  335}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.600     1.600 peak   339 weight  1.000000E+00 volume  1.70520E+00 ppm1      6.588 ppm2      7.788 CV     1

 ASSI {  336}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.600     1.600 peak   340 weight  1.000000E+00 volume  1.52000E-01 ppm1      7.803 ppm2      8.038 CV     1

 ASSI {  337}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.600     1.600 peak   341 weight  1.000000E+00 volume  8.56000E-02 ppm1      8.051 ppm2      7.782 CV     1

 ASSI {  338}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.600     1.600 peak   342 weight  1.000000E+00 volume  5.45400E-01 ppm1      8.918 ppm2      8.262 CV     1

 ASSI {  339}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.600     1.600 peak   343 weight  1.000000E+00 volume  3.30400E-01 ppm1      8.276 ppm2      8.914 CV     1

 ASSI {  340}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.600     1.600 peak   344 weight  1.000000E+00 volume  1.71200E-01 ppm1      8.833 ppm2      4.384 CV     1

 ASSI {  341}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.600     1.600 peak   345 weight  1.000000E+00 volume  2.62300E-01 ppm1      8.837 ppm2      9.407 CV     1

 ASSI {  342}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.600     1.600 peak   346 weight  1.000000E+00 volume  5.12600E-01 ppm1      9.412 ppm2      8.814 CV     1

 ASSI {  343}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   347 weight  1.000000E+00 volume  6.00000E-02 ppm1      8.839 ppm2      2.283 CV     1

 ASSI {  345}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.600     1.600 peak   350 weight  1.000000E+00 volume  2.30800E-01 ppm1      8.513 ppm2      2.925 CV     1

 ASSI {  346}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.600     1.600 peak   351 weight  1.000000E+00 volume  1.16500E-01 ppm1      9.175 ppm2      7.540 CV     1

 ASSI {  347}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.600     1.600 peak   352 weight  1.000000E+00 volume  1.16500E-01 ppm1      7.549 ppm2      9.157 CV     1

 ASSI {  348}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.600     1.600 peak   353 weight  1.000000E+00 volume  2.37400E-01 ppm1      7.547 ppm2      8.125 CV     1

 ASSI {  349}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.600     1.600 peak   354 weight  1.000000E+00 volume  7.50000E-01 ppm1      8.142 ppm2      7.538 CV     1

 ASSI {  350}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.600     1.600 peak   355 weight  1.000000E+00 volume  6.13200E-01 ppm1      8.142 ppm2      8.392 CV     1

 ASSI {  351}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.600     1.600 peak   356 weight  1.000000E+00 volume  1.94500E-01 ppm1      8.412 ppm2      8.130 CV     1

 ASSI {  352}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.600     1.600 peak   357 weight  1.000000E+00 volume  4.50300E-01 ppm1      8.208 ppm2      4.139 CV     1

 ASSI {  353}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.600     1.600 peak   358 weight  1.000000E+00 volume  6.32400E-01 ppm1      8.702 ppm2      8.200 CV     1

 ASSI {  354}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.600     1.600 peak   359 weight  1.000000E+00 volume  7.67300E-01 ppm1      8.213 ppm2      8.687 CV     1

 ASSI {  355}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.600     1.600 peak   360 weight  1.000000E+00 volume  3.43100E-01 ppm1      9.668 ppm2      9.226 CV     1

 ASSI {  356}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.600     1.600 peak   361 weight  1.000000E+00 volume  4.21000E-01 ppm1      9.237 ppm2      9.654 CV     1

 ASSI {  357}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.600     1.600 peak   362 weight  1.000000E+00 volume  5.31000E-02 ppm1      6.776 ppm2      8.809 CV     1

 ASSI {  358}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.600     1.600 peak   363 weight  1.000000E+00 volume  7.91800E-01 ppm1      6.777 ppm2      8.277 CV     1

 ASSI {  359}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.600     1.600 peak   364 weight  1.000000E+00 volume  3.47300E-01 ppm1      8.290 ppm2      6.761 CV     1

 ASSI {  360}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.600     1.600 peak   365 weight  1.000000E+00 volume  1.22800E-01 ppm1      6.928 ppm2      9.225 CV     1

 ASSI {  361}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.400     1.600     1.600 peak   366 weight  1.000000E+00 volume  2.08100E-01 ppm1      9.237 ppm2      6.921 CV     1

 ASSI {  362}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.600     1.600 peak   367 weight  1.000000E+00 volume  5.80500E-01 ppm1      7.228 ppm2      9.235 CV     1

 ASSI {  364}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.600     1.600 peak   369 weight  1.000000E+00 volume  1.36100E-01 ppm1      8.030 ppm2      9.249 CV     1

 ASSI {  365}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.600     1.600 peak   370 weight  1.000000E+00 volume  1.51700E-01 ppm1      9.257 ppm2      8.021 CV     1

 ASSI {  366}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.600     1.600 peak   371 weight  1.000000E+00 volume  1.97300E-01 ppm1      9.239 ppm2      8.191 CV     1

 OR {  366}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  369}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 5    and name HA2 ))
      3.400     1.600     1.600 peak   374 weight  1.000000E+00 volume  3.77500E-01 ppm1     10.013 ppm2      4.095 CV     1

 ASSI {  370}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 5    and name HA1 ))
      3.400     1.600     1.600 peak   375 weight  1.000000E+00 volume  5.23000E-02 ppm1     10.012 ppm2      3.651 CV     1

 ASSI {  371}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.600     1.600 peak   376 weight  1.000000E+00 volume  5.84000E-02 ppm1     10.014 ppm2      3.976 CV     1

 ASSI {  372}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.600     1.600 peak   377 weight  1.000000E+00 volume  1.34300E-01 ppm1      9.663 ppm2      3.306 CV     1

 ASSI {  373}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 19   and name HG21))
      3.400     1.600     1.600 peak   378 weight  1.000000E+00 volume  7.28500E-01 ppm1      9.250 ppm2      1.013 CV     1

 ASSI {  375}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak   380 weight  1.000000E+00 volume  5.26000E-01 ppm1      8.813 ppm2      2.431 CV     1

 ASSI {  376}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   381 weight  1.000000E+00 volume  1.50700E-01 ppm1      8.718 ppm2      0.949 CV     1

 ASSI {  377}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   382 weight  1.000000E+00 volume  1.69900E-01 ppm1      8.683 ppm2      0.898 CV     1

 ASSI {  378}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.400     1.600     1.600 peak   383 weight  1.000000E+00 volume  1.13200E-01 ppm1      8.596 ppm2      3.087 CV     1

 ASSI {  379}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG2 ))
      3.400     1.600     1.600 peak   384 weight  1.000000E+00 volume  1.32500E-01 ppm1      8.595 ppm2      2.351 CV     1

 ASSI {  380}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   385 weight  1.000000E+00 volume  5.56200E-01 ppm1      8.213 ppm2      1.098 CV     1

 ASSI {  381}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.400     1.600     1.600 peak   386 weight  1.000000E+00 volume  7.68000E-02 ppm1      8.212 ppm2      1.451 CV     1

 ASSI {  382}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.400     1.600     1.600 peak   387 weight  1.000000E+00 volume  4.59000E-02 ppm1      8.209 ppm2      1.796 CV     1

 ASSI {  383}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   388 weight  1.000000E+00 volume  1.25300E-01 ppm1      8.489 ppm2      1.296 CV     1

 ASSI {  384}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.400     1.600     1.600 peak   389 weight  1.000000E+00 volume  3.66000E-02 ppm1      7.797 ppm2      2.485 CV     1

 ASSI {  385}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.400     1.600     1.600 peak   390 weight  1.000000E+00 volume  2.39300E-01 ppm1      7.802 ppm2      2.166 CV     1

 ASSI {  387}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   392 weight  1.000000E+00 volume  2.46900E-01 ppm1      8.781 ppm2      0.893 CV     1

 ASSI {  389}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.600     1.600 peak   394 weight  1.000000E+00 volume  2.07100E-01 ppm1     10.013 ppm2      1.604 CV     1

 ASSI {  390}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.600     1.600 peak   395 weight  1.000000E+00 volume  6.49000E-02 ppm1     10.014 ppm2      1.644 CV     1

 ASSI {  393}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.600     1.600 peak   399 weight  1.000000E+00 volume  9.17000E-02 ppm1      6.926 ppm2      9.654 CV     1

 ASSI {  394}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.400     1.600     1.600 peak   400 weight  1.000000E+00 volume  1.17300E-01 ppm1      9.666 ppm2      6.916 CV     1

 ASSI {  395}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.600     1.600 peak   401 weight  1.000000E+00 volume  4.12000E-02 ppm1      9.412 ppm2      8.048 CV     1

 ASSI {  396}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.600     1.600 peak   402 weight  1.000000E+00 volume  1.18300E-01 ppm1      8.059 ppm2      9.403 CV     1

 ASSI {  397}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.600     1.600 peak   403 weight  1.000000E+00 volume  1.22200E-01 ppm1      9.236 ppm2      5.661 CV     1

 ASSI {  398}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 2    and name HG11))
      3.400     1.600     1.600 peak   404 weight  1.000000E+00 volume  8.16000E-02 ppm1      8.935 ppm2      0.864 CV     1

 ASSI {  401}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.600     1.600 peak   407 weight  1.000000E+00 volume  1.20700E-01 ppm1      8.414 ppm2      3.530 CV     1

 ASSI {  402}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.600     1.600 peak   408 weight  1.000000E+00 volume  7.46000E-02 ppm1      8.416 ppm2      2.923 CV     1

 ASSI {  403}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.400     1.600     1.600 peak   409 weight  1.000000E+00 volume  1.68600E-01 ppm1      8.413 ppm2      3.067 CV     1

 ASSI {  404}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.600     1.600 peak   410 weight  1.000000E+00 volume  1.03400E-01 ppm1      7.539 ppm2      8.247 CV     1

 ASSI {  405}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HD2 ))
      3.400     1.600     1.600 peak   411 weight  1.000000E+00 volume  1.42100E-01 ppm1      8.253 ppm2      7.532 CV     1

 ASSI {  406}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.600     1.600 peak   412 weight  1.000000E+00 volume  1.02300E-01 ppm1      8.291 ppm2      9.073 CV     1

 ASSI {  407}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.600     1.600 peak   413 weight  1.000000E+00 volume  5.13000E-02 ppm1      7.871 ppm2      2.025 CV     1

 ASSI {  408}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   414 weight  1.000000E+00 volume  2.53000E-02 ppm1      7.863 ppm2      1.850 CV     1

 ASSI {  409}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.600     1.600 peak   415 weight  1.000000E+00 volume  2.80000E-02 ppm1      7.870 ppm2      2.324 CV     1

 ASSI {  410}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.600     1.600 peak   416 weight  1.000000E+00 volume  1.56500E-01 ppm1      8.778 ppm2      4.122 CV     1

 ASSI {  411}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.600     1.600 peak   417 weight  1.000000E+00 volume  3.75000E-02 ppm1      8.773 ppm2      2.631 CV     1

 ASSI {  412}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.400     1.600     1.600 peak   419 weight  1.000000E+00 volume  3.91000E-02 ppm1      8.808 ppm2      1.982 CV     1

 ASSI {  413}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak   420 weight  1.000000E+00 volume  8.36000E-02 ppm1      8.813 ppm2      2.101 CV     1

 ASSI {  414}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.600     1.600 peak   421 weight  1.000000E+00 volume  1.07600E-01 ppm1      8.810 ppm2      1.861 CV     1

 ASSI {  416}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak   423 weight  1.000000E+00 volume  3.24000E-02 ppm1      8.681 ppm2      5.511 CV     1

 ASSI {  417}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.600     1.600 peak   424 weight  1.000000E+00 volume  3.81000E-02 ppm1      9.247 ppm2      4.116 CV     1

 ASSI {  418}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.400     1.600     1.600 peak   425 weight  1.000000E+00 volume  1.29600E-01 ppm1      9.795 ppm2      1.859 CV     1

 OR {  418}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  419}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   427 weight  1.000000E+00 volume  1.18100E-01 ppm1      8.280 ppm2      3.229 CV     1

 OR {  419}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  421}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     1.600     1.600 peak   429 weight  1.000000E+00 volume  7.66000E-02 ppm1      8.141 ppm2      3.517 CV     1

 ASSI {  422}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.600     1.600 peak   430 weight  1.000000E+00 volume  3.78000E-02 ppm1      8.411 ppm2      5.000 CV     1

 ASSI {  423}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   431 weight  1.000000E+00 volume  2.73000E-02 ppm1      8.214 ppm2      2.283 CV     1

 ASSI {  424}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.400     1.600     1.600 peak   432 weight  1.000000E+00 volume  1.65900E-01 ppm1      6.777 ppm2      3.884 CV     1

 ASSI {  429}
   (( segid "    " and resid 1    and name HT1 ))
   (( segid "    " and resid 55   and name HG12))
      3.400     1.600     1.600 peak   438 weight  1.000000E+00 volume  4.26000E-02 ppm1      8.185 ppm2      1.430 CV     1

 OR {  429}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 31   and name HG% )
 OR {  429}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 47   and name HG% )
 OR {  429}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
 OR {  429}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI {  431}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 8    and name HD% )
      3.400     1.600     1.600 peak   440 weight  1.000000E+00 volume  3.17000E-02 ppm1      6.451 ppm2      7.576 CV     1

 OR {  431}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
 OR {  431}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HE22))
 ASSI {  433}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.600     1.600 peak   442 weight  1.000000E+00 volume  9.84000E-02 ppm1      8.050 ppm2      2.270 CV     1

 OR {  433}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  433}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  433}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  435}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.600     1.600 peak   444 weight  1.000000E+00 volume  4.49000E-02 ppm1      9.664 ppm2      2.806 CV     1

 OR {  435}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  436}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.600     1.600 peak   445 weight  1.000000E+00 volume  5.85000E-02 ppm1      9.661 ppm2      8.816 CV     1

 ASSI {  437}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.600     1.600 peak   446 weight  1.000000E+00 volume  1.07900E-01 ppm1      8.838 ppm2      9.668 CV     1

 ASSI {  438}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.600     1.600 peak   447 weight  1.000000E+00 volume  3.91000E-02 ppm1      6.775 ppm2      5.133 CV     1

 ASSI {  439}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.600     1.600 peak   448 weight  1.000000E+00 volume  4.59000E-02 ppm1      8.592 ppm2      7.867 CV     1

 ASSI {  440}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.400     1.600     1.600 peak   449 weight  1.000000E+00 volume  6.49000E-02 ppm1      7.872 ppm2      8.586 CV     1

 ASSI {  442}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.600     1.600 peak   451 weight  1.000000E+00 volume  1.55300E-01 ppm1      8.055 ppm2      1.670 CV     1

 OR {  442}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  442}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  442}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  444}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.600     1.600 peak   453 weight  1.000000E+00 volume  1.34100E-01 ppm1      8.052 ppm2      4.858 CV     1

 ASSI {  445}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      3.400     1.600     1.600 peak   454 weight  1.000000E+00 volume  3.02000E-02 ppm1      6.587 ppm2      4.246 CV     1

 OR {  445}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  446}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.600     1.600 peak   455 weight  1.000000E+00 volume  4.67000E-02 ppm1      7.552 ppm2      5.024 CV     1

 ASSI {  447}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.600     1.600 peak   456 weight  1.000000E+00 volume  8.23000E-02 ppm1      8.509 ppm2      8.127 CV     1

 ASSI {  448}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.600     1.600 peak   457 weight  1.000000E+00 volume  1.46600E-01 ppm1      6.778 ppm2      4.490 CV     1

 ASSI {  449}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.600     1.600 peak   459 weight  1.000000E+00 volume  1.33300E-01 ppm1      8.287 ppm2      4.493 CV     1

 OR {  449}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  449}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  449}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  451}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 31   and name HE% )
      3.400     1.600     1.600 peak   462 weight  1.000000E+00 volume  2.57000E-02 ppm1      8.141 ppm2      3.084 CV     1

 OR {  451}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 OR {  451}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  451}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR {  451}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 8    and name HB% )
 ASSI {  457}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
      3.400     1.600     1.600 peak   468 weight  1.000000E+00 volume  9.55000E-02 ppm1      8.816 ppm2      7.455 CV     1

 OR {  457}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 24   and name HZ2 ))
 OR {  457}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
 OR {  457}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
 OR {  457}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
 ASSI {  458}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.600     1.600 peak   469 weight  1.000000E+00 volume  1.65400E-01 ppm1      7.475 ppm2      8.799 CV     1

 OR {  458}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
 OR {  458}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR {  458}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 41   and name HN  ))
 OR {  458}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  459}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.400     1.600     1.600 peak   470 weight  1.000000E+00 volume  2.34000E-02 ppm1      8.705 ppm2      6.921 CV     1

 OR {  459}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
 ASSI {  461}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.600     1.600 peak   472 weight  1.000000E+00 volume  2.59000E-02 ppm1      9.784 ppm2      9.240 CV     1

 OR {  461}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  462}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.600     1.600 peak   473 weight  1.000000E+00 volume  2.49000E-02 ppm1      9.244 ppm2      9.781 CV     1

 OR {  462}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  463}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.600     1.600 peak   474 weight  1.000000E+00 volume  2.72000E-02 ppm1      9.784 ppm2      2.483 CV     1

 OR {  463}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  463}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 21   and name HG% )
 ASSI {  464}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.600     1.600 peak   475 weight  1.000000E+00 volume  5.87000E-02 ppm1      9.421 ppm2      4.696 CV     1

 ASSI {  465}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      3.400     1.600     1.600 peak   476 weight  1.000000E+00 volume  9.88000E-02 ppm1      9.660 ppm2      1.809 CV     1

 OR {  465}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
 OR {  465}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  465}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  466}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
      3.400     1.600     1.600 peak   477 weight  1.000000E+00 volume  1.44500E-01 ppm1      9.660 ppm2      1.621 CV     1

 OR {  466}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 OR {  466}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 47   and name HD% )
 ASSI {  467}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.600     1.600 peak   478 weight  1.000000E+00 volume  8.80000E-02 ppm1      9.242 ppm2      2.748 CV     1

 ASSI {  468}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.600     1.600 peak   479 weight  1.000000E+00 volume  5.83000E-02 ppm1      7.761 ppm2      3.665 CV     1

 OR {  468}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  468}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
 ASSI {  469}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.600     1.600 peak   480 weight  1.000000E+00 volume  3.97000E-02 ppm1      8.816 ppm2      7.747 CV     1

 OR {  469}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  470}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.600     1.600 peak   481 weight  1.000000E+00 volume  3.75000E-02 ppm1      7.764 ppm2      8.808 CV     1

 OR {  470}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 OR {  470}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
 OR {  470}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  471}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.600     1.600 peak   482 weight  1.000000E+00 volume  2.77000E-02 ppm1      7.766 ppm2      2.846 CV     1

 OR {  471}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  471}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  471}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
# Restraints file 2: noesy2d_d2o.tbl
 ASSI {    1}
   (( segid "    " and resid 23   and name HG21))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.600     1.600 peak     0 weight  1.000000E+00 volume  5.19200E-01 ppm1      1.112 ppm2      2.273 CV     1

 OR {    1}
   (( segid "    " and resid 33   and name HG21))
   (( segid "    " and resid 38   and name HB2 ))
 OR {    1}
   (( segid "    " and resid 33   and name HG21))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {   44}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.400     1.600     1.600 peak    43 weight  1.000000E+00 volume  4.23600E-01 ppm1      5.997 ppm2      2.891 CV     1

 ASSI {   45}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.600     1.600 peak    44 weight  1.000000E+00 volume  9.93800E-01 ppm1      5.994 ppm2      3.557 CV     1

 ASSI {   50}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak    49 weight  1.000000E+00 volume  2.67070E+00 ppm1      5.205 ppm2      5.521 CV     1

 ASSI {   51}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.600     1.600 peak    50 weight  1.000000E+00 volume  3.69720E+00 ppm1      5.535 ppm2      5.193 CV     1

 ASSI {   52}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.600     1.600 peak    51 weight  1.000000E+00 volume  3.26840E+00 ppm1      5.155 ppm2      5.678 CV     1

 ASSI {   53}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak    52 weight  1.000000E+00 volume  8.24400E-01 ppm1      5.686 ppm2      2.302 CV     1

 ASSI {   54}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.600     1.600 peak    53 weight  1.000000E+00 volume  1.11200E+00 ppm1      5.689 ppm2      2.868 CV     1

 ASSI {   55}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.400     1.600     1.600 peak    54 weight  1.000000E+00 volume  3.51000E-01 ppm1      5.519 ppm2      2.766 CV     1

 ASSI {  105}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.600     1.600 peak   104 weight  1.000000E+00 volume  4.55410E+00 ppm1      4.155 ppm2      5.184 CV     1

 ASSI {  108}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.600     1.600 peak   107 weight  1.000000E+00 volume  3.62050E+00 ppm1      5.195 ppm2      4.140 CV     1

 ASSI {  124}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   123 weight  1.000000E+00 volume  9.72900E-01 ppm1      4.196 ppm2      1.102 CV     1

 ASSI {  192}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.600     1.600 peak   191 weight  1.000000E+00 volume  1.21770E+00 ppm1      4.312 ppm2      3.172 CV     1

 OR {  192}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  193}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.600     1.600 peak   192 weight  1.000000E+00 volume  1.11560E+00 ppm1      4.315 ppm2      2.760 CV     1

 ASSI {  197}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HD2 ))
      3.400     1.600     1.600 peak   196 weight  1.000000E+00 volume  9.98650E+00 ppm1      5.996 ppm2      4.043 CV     1

 ASSI {  198}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HD1 ))
      3.400     1.600     1.600 peak   197 weight  1.000000E+00 volume  3.50880E+00 ppm1      5.995 ppm2      3.815 CV     1

 ASSI {  199}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD2 ))
      3.400     1.600     1.600 peak   198 weight  1.000000E+00 volume  1.28016E+01 ppm1      5.519 ppm2      3.854 CV     1

 ASSI {  200}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.400     1.600     1.600 peak   199 weight  1.000000E+00 volume  1.00106E+01 ppm1      5.086 ppm2      3.903 CV     1

 ASSI {  201}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD1 ))
      3.400     1.600     1.600 peak   200 weight  1.000000E+00 volume  1.39551E+01 ppm1      5.086 ppm2      3.799 CV     1

 ASSI {  206}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.600     1.600 peak   205 weight  1.000000E+00 volume  9.02050E+00 ppm1      3.915 ppm2      5.073 CV     1

 ASSI {  207}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.600     1.600 peak   206 weight  1.000000E+00 volume  7.70080E+00 ppm1      3.815 ppm2      5.071 CV     1

 ASSI {  208}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.600     1.600 peak   207 weight  1.000000E+00 volume  1.30072E+01 ppm1      4.058 ppm2      5.982 CV     1

 ASSI {  209}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.600     1.600 peak   208 weight  1.000000E+00 volume  1.10545E+01 ppm1      3.829 ppm2      5.983 CV     1

 ASSI {  210}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.600     1.600 peak   209 weight  1.000000E+00 volume  1.10290E+01 ppm1      3.868 ppm2      5.503 CV     1

 ASSI {  214}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.600     1.600 peak   213 weight  1.000000E+00 volume  2.08500E-01 ppm1      2.727 ppm2      4.962 CV     1

 ASSI {  215}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak   214 weight  1.000000E+00 volume  2.45600E-01 ppm1      3.711 ppm2      5.528 CV     1

 ASSI {  233}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   232 weight  1.000000E+00 volume  1.69170E+00 ppm1      2.893 ppm2      0.962 CV     1

 ASSI {  234}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   233 weight  1.000000E+00 volume  5.19700E-01 ppm1      2.890 ppm2      1.112 CV     1

 ASSI {  235}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   234 weight  1.000000E+00 volume  2.20040E+00 ppm1      2.312 ppm2      1.109 CV     1

 ASSI {  236}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   235 weight  1.000000E+00 volume  4.46520E+00 ppm1      2.312 ppm2      0.962 CV     1

 ASSI {  275}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.600     1.600 peak   274 weight  1.000000E+00 volume  2.98500E-01 ppm1      5.615 ppm2      4.652 CV     1

 ASSI {  276}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.400     1.600     1.600 peak   275 weight  1.000000E+00 volume  8.03300E-01 ppm1      5.617 ppm2      2.892 CV     1

 ASSI {  277}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.600     1.600 peak   276 weight  1.000000E+00 volume  1.10690E+00 ppm1      5.616 ppm2      3.543 CV     1

 OR {  277}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {  297}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.600     1.600 peak   297 weight  1.000000E+00 volume  8.16550E+00 ppm1      4.007 ppm2      4.868 CV     1

 ASSI {  298}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.600     1.600 peak   298 weight  1.000000E+00 volume  1.40161E+01 ppm1      4.880 ppm2      3.993 CV     1

 ASSI {  299}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.600     1.600 peak   299 weight  1.000000E+00 volume  1.13830E+00 ppm1      4.127 ppm2      4.779 CV     1

 ASSI {  300}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.600     1.600 peak   300 weight  1.000000E+00 volume  8.39500E-01 ppm1      4.787 ppm2      4.106 CV     1

 ASSI {  325}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.600     1.600 peak   330 weight  1.000000E+00 volume  2.86296E+01 ppm1      3.842 ppm2      4.894 CV     1

 ASSI {  333}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 49   and name HA2 ))
      3.400     1.600     1.600 peak   338 weight  1.000000E+00 volume  5.39830E+00 ppm1      3.488 ppm2      4.594 CV     1

 ASSI {  334}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 49   and name HA2 ))
      3.400     1.600     1.600 peak   339 weight  1.000000E+00 volume  4.60860E+00 ppm1      3.670 ppm2      4.592 CV     1

 ASSI {  346}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 50   and name HD1 ))
      3.400     1.600     1.600 peak   351 weight  1.000000E+00 volume  5.30300E+00 ppm1      4.616 ppm2      3.471 CV     1

 ASSI {  347}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 24   and name HD1 ))
      3.400     1.600     1.600 peak   352 weight  1.000000E+00 volume  1.40470E+00 ppm1      7.548 ppm2      6.743 CV     1

 ASSI {  354}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.400     1.600     1.600 peak   359 weight  1.000000E+00 volume  1.46580E+00 ppm1      6.760 ppm2      7.534 CV     1

 ASSI {  432}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.600     1.600 peak   437 weight  1.000000E+00 volume  1.04357E+01 ppm1      3.149 ppm2      3.746 CV     1

 ASSI {  433}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.600     1.600 peak   438 weight  1.000000E+00 volume  1.38366E+01 ppm1      3.256 ppm2      3.745 CV     1

 ASSI {  434}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   439 weight  1.000000E+00 volume  7.37560E+00 ppm1      3.759 ppm2      3.242 CV     1

 ASSI {  435}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.600     1.600 peak   440 weight  1.000000E+00 volume  4.05210E+00 ppm1      3.760 ppm2      3.133 CV     1

 ASSI {  436}
   (( segid "    " and resid 15   and name HG21))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   441 weight  1.000000E+00 volume  7.68000E-01 ppm1      1.284 ppm2      3.243 CV     1

 ASSI {  437}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.600     1.600 peak   443 weight  1.000000E+00 volume  6.56600E-01 ppm1      1.321 ppm2      3.963 CV     1

 ASSI {  438}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.600     1.600 peak   444 weight  1.000000E+00 volume  3.32380E+00 ppm1      1.321 ppm2      3.074 CV     1

 ASSI {  439}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   445 weight  1.000000E+00 volume  1.22410E+00 ppm1      1.322 ppm2      3.244 CV     1

 ASSI {  440}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.600     1.600 peak   446 weight  1.000000E+00 volume  1.08580E+00 ppm1      1.321 ppm2      3.126 CV     1

 ASSI {  441}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.600     1.600 peak   447 weight  1.000000E+00 volume  5.78590E+00 ppm1      1.322 ppm2      3.749 CV     1

 ASSI {  442}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.600     1.600 peak   448 weight  1.000000E+00 volume  2.22400E+00 ppm1      1.324 ppm2      4.403 CV     1

 ASSI {  453}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     1.600     1.600 peak   461 weight  1.000000E+00 volume  4.33000E+00 ppm1      3.705 ppm2      2.449 CV     1

 ASSI {  454}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.600     1.600 peak   462 weight  1.000000E+00 volume  4.60030E+00 ppm1      3.706 ppm2      1.870 CV     1

 ASSI {  458}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.600     1.600 peak   466 weight  1.000000E+00 volume  5.89800E-01 ppm1      5.195 ppm2      2.037 CV     1

 ASSI {  459}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   467 weight  1.000000E+00 volume  3.07000E-01 ppm1      5.200 ppm2      1.871 CV     1

 ASSI {  460}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   469 weight  1.000000E+00 volume  5.28450E+00 ppm1      2.765 ppm2      1.853 CV     1

 ASSI {  461}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   470 weight  1.000000E+00 volume  4.04720E+00 ppm1      3.189 ppm2      1.863 CV     1

 OR {  461}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  461}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  461}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  462}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 55   and name HB  ))
      3.400     1.600     1.600 peak   471 weight  1.000000E+00 volume  5.30100E-01 ppm1      3.195 ppm2      2.062 CV     1

 OR {  462}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  462}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
 OR {  462}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  463}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.600     1.600 peak   472 weight  1.000000E+00 volume  2.97310E+00 ppm1      1.879 ppm2      3.167 CV     1

 ASSI {  464}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.600     1.600 peak   473 weight  1.000000E+00 volume  2.17130E+00 ppm1      1.877 ppm2      2.734 CV     1

 ASSI {  465}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   474 weight  1.000000E+00 volume  9.73500E-01 ppm1      5.537 ppm2      3.712 CV     1

 ASSI {  466}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   475 weight  1.000000E+00 volume  1.67350E+00 ppm1      2.732 ppm2      3.692 CV     1

 ASSI {  467}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   476 weight  1.000000E+00 volume  8.27700E-01 ppm1      2.835 ppm2      3.688 CV     1

 ASSI {  468}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.600     1.600 peak   477 weight  1.000000E+00 volume  1.43330E+00 ppm1      3.706 ppm2      2.712 CV     1

 ASSI {  469}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.600     1.600 peak   478 weight  1.000000E+00 volume  1.56590E+00 ppm1      3.704 ppm2      2.826 CV     1

 ASSI {  470}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.600     1.600 peak   479 weight  1.000000E+00 volume  4.49300E-01 ppm1      2.220 ppm2      2.824 CV     1

 ASSI {  471}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.600     1.600 peak   480 weight  1.000000E+00 volume  5.50900E-01 ppm1      2.835 ppm2      2.196 CV     1

 ASSI {  472}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.600     1.600 peak   481 weight  1.000000E+00 volume  1.17200E+00 ppm1      2.503 ppm2      3.557 CV     1

 ASSI {  473}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.600     1.600 peak   482 weight  1.000000E+00 volume  2.72290E+00 ppm1      3.346 ppm2      3.559 CV     1

 ASSI {  474}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.600     1.600 peak   483 weight  1.000000E+00 volume  1.38120E+00 ppm1      3.571 ppm2      5.982 CV     1

 ASSI {  475}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.600     1.600 peak   484 weight  1.000000E+00 volume  3.16300E-01 ppm1      2.905 ppm2      5.983 CV     1

 ASSI {  476}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
      3.400     1.600     1.600 peak   485 weight  1.000000E+00 volume  1.58190E+00 ppm1      3.574 ppm2      2.491 CV     1

 ASSI {  477}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.600     1.600 peak   486 weight  1.000000E+00 volume  2.63640E+00 ppm1      3.575 ppm2      3.329 CV     1

 ASSI {  478}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.400     1.600     1.600 peak   487 weight  1.000000E+00 volume  1.87780E+00 ppm1      5.088 ppm2      2.141 CV     1

 ASSI {  479}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.400     1.600     1.600 peak   488 weight  1.000000E+00 volume  1.60530E+00 ppm1      5.085 ppm2      1.945 CV     1

 ASSI {  480}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   489 weight  1.000000E+00 volume  3.34700E-01 ppm1      5.087 ppm2      1.309 CV     1

 ASSI {  481}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   490 weight  1.000000E+00 volume  4.72300E-01 ppm1      3.813 ppm2      3.240 CV     1

 ASSI {  482}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.600     1.600 peak   491 weight  1.000000E+00 volume  5.38200E-01 ppm1      3.815 ppm2      3.124 CV     1

 ASSI {  483}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.600     1.600 peak   492 weight  1.000000E+00 volume  1.48300E+00 ppm1      3.909 ppm2      3.125 CV     1

 ASSI {  484}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   493 weight  1.000000E+00 volume  4.36200E-01 ppm1      3.915 ppm2      3.244 CV     1

 ASSI {  485}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.600     1.600 peak   494 weight  1.000000E+00 volume  2.99300E-01 ppm1      3.258 ppm2      3.963 CV     1

 ASSI {  486}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.600     1.600 peak   495 weight  1.000000E+00 volume  1.01280E+00 ppm1      3.147 ppm2      3.967 CV     1

 ASSI {  487}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.600     1.600 peak   496 weight  1.000000E+00 volume  7.37200E-01 ppm1      2.776 ppm2      5.505 CV     1

 ASSI {  488}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.600     1.600 peak   497 weight  1.000000E+00 volume  1.85930E+00 ppm1      2.313 ppm2      2.764 CV     1

 ASSI {  489}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   498 weight  1.000000E+00 volume  4.62220E+00 ppm1      3.704 ppm2      0.882 CV     1

 ASSI {  490}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   499 weight  1.000000E+00 volume  4.28470E+00 ppm1      2.216 ppm2      0.890 CV     1

 ASSI {  491}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 8    and name HB2 ))
      3.400     1.600     1.600 peak   500 weight  1.000000E+00 volume  6.18030E+00 ppm1      2.076 ppm2      3.090 CV     1

 ASSI {  492}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.600     1.600 peak   501 weight  1.000000E+00 volume  7.19300E-01 ppm1      4.197 ppm2      4.408 CV     1

 ASSI {  493}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.600     1.600 peak   502 weight  1.000000E+00 volume  1.73270E+00 ppm1      4.414 ppm2      4.184 CV     1

 ASSI {  494}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 56   and name HB2 ))
      3.400     1.600     1.600 peak   503 weight  1.000000E+00 volume  9.80100E-01 ppm1      6.945 ppm2      3.633 CV     1

 ASSI {  495}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 56   and name HB2 ))
      3.400     1.600     1.600 peak   504 weight  1.000000E+00 volume  4.11400E-01 ppm1      6.842 ppm2      3.635 CV     1

 ASSI {  496}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 56   and name HB1 ))
      3.400     1.600     1.600 peak   505 weight  1.000000E+00 volume  8.42700E-01 ppm1      6.844 ppm2      3.439 CV     1

 ASSI {  497}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 56   and name HB1 ))
      3.400     1.600     1.600 peak   506 weight  1.000000E+00 volume  5.30000E-01 ppm1      6.942 ppm2      3.432 CV     1

 ASSI {  500}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.600     1.600 peak   509 weight  1.000000E+00 volume  7.27800E-01 ppm1      6.942 ppm2      4.119 CV     1

 ASSI {  501}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.600     1.600 peak   510 weight  1.000000E+00 volume  3.01600E-01 ppm1      6.846 ppm2      4.102 CV     1

 ASSI {  502}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 43   and name HG1 ))
      3.400     1.600     1.600 peak   511 weight  1.000000E+00 volume  4.46500E-01 ppm1      6.842 ppm2      1.583 CV     1

 ASSI {  503}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 43   and name HG1 ))
      3.400     1.600     1.600 peak   512 weight  1.000000E+00 volume  1.86750E+00 ppm1      6.946 ppm2      1.588 CV     1

 ASSI {  504}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 43   and name HB1 ))
      3.400     1.600     1.600 peak   513 weight  1.000000E+00 volume  2.20330E+00 ppm1      6.843 ppm2      1.838 CV     1

 ASSI {  505}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 43   and name HB1 ))
      3.400     1.600     1.600 peak   514 weight  1.000000E+00 volume  4.66880E+00 ppm1      6.944 ppm2      1.836 CV     1

 ASSI {  506}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 43   and name HG2 ))
      3.400     1.600     1.600 peak   515 weight  1.000000E+00 volume  4.71500E-01 ppm1      6.942 ppm2      1.767 CV     1

 ASSI {  507}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.600     1.600 peak   516 weight  1.000000E+00 volume  5.25300E-01 ppm1      6.844 ppm2      2.326 CV     1

 ASSI {  508}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.600     1.600 peak   517 weight  1.000000E+00 volume  2.63720E+00 ppm1      6.943 ppm2      2.322 CV     1

 ASSI {  509}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.600     1.600 peak   518 weight  1.000000E+00 volume  9.29000E-01 ppm1      6.843 ppm2      2.765 CV     1

 ASSI {  510}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.600     1.600 peak   519 weight  1.000000E+00 volume  6.68010E+00 ppm1      6.945 ppm2      2.769 CV     1

 ASSI {  511}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 47   and name HG1 ))
      3.400     1.600     1.600 peak   520 weight  1.000000E+00 volume  1.13520E+00 ppm1      6.942 ppm2      1.457 CV     1

 OR {  511}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 55   and name HG12))
 OR {  511}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 47   and name HG2 ))
 OR {  511}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 44   and name HB1 ))
 OR {  511}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 55   and name HG12))
 ASSI {  512}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HG2 ))
      3.400     1.600     1.600 peak   521 weight  1.000000E+00 volume  4.08000E-01 ppm1      6.958 ppm2      1.983 CV     1

 ASSI {  513}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HG2 ))
      3.400     1.600     1.600 peak   522 weight  1.000000E+00 volume  3.61200E-01 ppm1      7.253 ppm2      1.987 CV     1

 ASSI {  514}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.600     1.600 peak   523 weight  1.000000E+00 volume  3.94370E+00 ppm1      7.255 ppm2      1.650 CV     1

 ASSI {  515}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.600     1.600 peak   524 weight  1.000000E+00 volume  3.37700E-01 ppm1      6.762 ppm2      1.659 CV     1

 ASSI {  516}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.600     1.600 peak   525 weight  1.000000E+00 volume  4.02000E-01 ppm1      6.761 ppm2      2.756 CV     1

 ASSI {  517}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.600     1.600 peak   526 weight  1.000000E+00 volume  1.57240E+00 ppm1      7.254 ppm2      2.754 CV     1

 ASSI {  525}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HD1 ))
      3.400     1.600     1.600 peak   534 weight  1.000000E+00 volume  2.93750E+00 ppm1      6.953 ppm2      3.817 CV     1

 ASSI {  526}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.400     1.600     1.600 peak   535 weight  1.000000E+00 volume  7.48680E+00 ppm1      6.955 ppm2      4.042 CV     1

 ASSI {  527}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HD1 ))
      3.400     1.600     1.600 peak   536 weight  1.000000E+00 volume  1.34050E+00 ppm1      7.255 ppm2      3.814 CV     1

 ASSI {  528}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.400     1.600     1.600 peak   537 weight  1.000000E+00 volume  3.71790E+00 ppm1      7.254 ppm2      4.041 CV     1

 ASSI {  529}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.600     1.600 peak   538 weight  1.000000E+00 volume  1.72370E+00 ppm1      6.761 ppm2      3.997 CV     1

 ASSI {  530}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.600     1.600 peak   539 weight  1.000000E+00 volume  4.06060E+00 ppm1      7.250 ppm2      3.991 CV     1

 ASSI {  531}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.400     1.600     1.600 peak   540 weight  1.000000E+00 volume  4.70500E-01 ppm1      7.254 ppm2      4.444 CV     1

 OR {  531}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  531}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  531}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  532}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.600     1.600 peak   541 weight  1.000000E+00 volume  6.58100E-01 ppm1      6.759 ppm2      4.441 CV     1

 ASSI {  535}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.600     1.600 peak   544 weight  1.000000E+00 volume  1.03430E+00 ppm1      7.254 ppm2      5.193 CV     1

 ASSI {  536}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.600     1.600 peak   545 weight  1.000000E+00 volume  2.64680E+00 ppm1      7.255 ppm2      5.980 CV     1

 ASSI {  537}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.600     1.600 peak   546 weight  1.000000E+00 volume  2.66660E+00 ppm1      6.954 ppm2      5.983 CV     1

 ASSI {  540}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.600     1.600 peak   549 weight  1.000000E+00 volume  7.30500E-01 ppm1      7.622 ppm2      3.985 CV     1

 OR {  540}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 23   and name HB  ))
 OR {  540}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 6    and name HA1 ))
 ASSI {  543}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.600     1.600 peak   552 weight  1.000000E+00 volume  1.03110E+00 ppm1      7.621 ppm2      4.439 CV     1

 ASSI {  544}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.400     1.600     1.600 peak   553 weight  1.000000E+00 volume  9.29300E-01 ppm1      7.622 ppm2      3.169 CV     1

 ASSI {  547}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.600     1.600 peak   556 weight  1.000000E+00 volume  2.07000E+00 ppm1      7.548 ppm2      2.354 CV     1

 ASSI {  549}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 23   and name HG21))
      3.400     1.600     1.600 peak   558 weight  1.000000E+00 volume  3.55420E+00 ppm1      7.620 ppm2      1.100 CV     1

 OR {  549}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 33   and name HG21))
 OR {  549}
   (( segid "    " and resid 8    and name HZ  ))
   (( segid "    " and resid 22   and name HG21))
 ASSI {  551}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HG2 ))
      3.400     1.600     1.600 peak   560 weight  1.000000E+00 volume  9.97100E-01 ppm1      5.996 ppm2      1.988 CV     1

 ASSI {  552}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.600     1.600 peak   561 weight  1.000000E+00 volume  2.26450E+00 ppm1      5.994 ppm2      1.655 CV     1

 ASSI {  553}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak   562 weight  1.000000E+00 volume  4.46000E-01 ppm1      5.991 ppm2      1.261 CV     1

 ASSI {  554}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HG12))
      3.400     1.600     1.600 peak   563 weight  1.000000E+00 volume  9.66400E-01 ppm1      5.694 ppm2      1.454 CV     1

 ASSI {  555}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HG11))
      3.400     1.600     1.600 peak   564 weight  1.000000E+00 volume  1.06750E+00 ppm1      5.693 ppm2      1.015 CV     1

 ASSI {  556}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   565 weight  1.000000E+00 volume  1.32040E+00 ppm1      5.614 ppm2      1.311 CV     1

 ASSI {  557}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      3.400     1.600     1.600 peak   566 weight  1.000000E+00 volume  1.84140E+00 ppm1      5.519 ppm2      1.582 CV     1

 ASSI {  558}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.400     1.600     1.600 peak   567 weight  1.000000E+00 volume  3.53590E+00 ppm1      5.518 ppm2      1.780 CV     1

 ASSI {  559}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak   568 weight  1.000000E+00 volume  8.66900E-01 ppm1      5.200 ppm2      0.882 CV     1

 OR {  559}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 2    and name HG11))
 OR {  559}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 55   and name HD11))
 OR {  559}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 2    and name HG11))
 ASSI {  560}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak   569 weight  1.000000E+00 volume  4.48100E-01 ppm1      5.204 ppm2      1.270 CV     1

 ASSI {  561}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   570 weight  1.000000E+00 volume  2.58640E+00 ppm1      5.045 ppm2      0.961 CV     1

 ASSI {  562}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak   571 weight  1.000000E+00 volume  1.95740E+00 ppm1      4.976 ppm2      0.908 CV     1

 OR {  562}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 2    and name HG11))
 OR {  562}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 2    and name HG21))
 ASSI {  563}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      3.400     1.600     1.600 peak   572 weight  1.000000E+00 volume  3.69000E-01 ppm1      4.978 ppm2      1.696 CV     1

 ASSI {  564}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.600     1.600 peak   573 weight  1.000000E+00 volume  9.09500E-01 ppm1      4.975 ppm2      1.870 CV     1

 ASSI {  565}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak   574 weight  1.000000E+00 volume  4.54100E-01 ppm1      4.978 ppm2      2.443 CV     1

 ASSI {  566}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak   575 weight  1.000000E+00 volume  3.67250E+00 ppm1      4.908 ppm2      2.134 CV     1

 OR {  566}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR {  566}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR {  566}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  567}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 19   and name HG21))
      3.400     1.600     1.600 peak   576 weight  1.000000E+00 volume  1.90680E+00 ppm1      4.880 ppm2      1.031 CV     1

 ASSI {  568}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.600     1.600 peak   577 weight  1.000000E+00 volume  1.24960E+00 ppm1      4.879 ppm2      1.671 CV     1

 ASSI {  569}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.600     1.600 peak   578 weight  1.000000E+00 volume  6.89700E-01 ppm1      4.882 ppm2      1.599 CV     1

 ASSI {  570}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   579 weight  1.000000E+00 volume  4.13200E-01 ppm1      4.906 ppm2      1.295 CV     1

 ASSI {  571}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      3.400     1.600     1.600 peak   580 weight  1.000000E+00 volume  4.15300E-01 ppm1      4.909 ppm2      1.941 CV     1

 ASSI {  572}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   581 weight  1.000000E+00 volume  7.11200E+00 ppm1      4.407 ppm2      0.913 CV     1

 ASSI {  573}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   582 weight  1.000000E+00 volume  3.88010E+00 ppm1      4.417 ppm2      1.310 CV     1

 ASSI {  574}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.600     1.600 peak   583 weight  1.000000E+00 volume  3.48260E+00 ppm1      3.829 ppm2      3.332 CV     1

 ASSI {  575}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.600     1.600 peak   584 weight  1.000000E+00 volume  3.67640E+00 ppm1      3.830 ppm2      3.562 CV     1

 ASSI {  576}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.600     1.600 peak   585 weight  1.000000E+00 volume  2.49790E+00 ppm1      4.057 ppm2      3.330 CV     1

 ASSI {  577}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 17   and name HB1 ))
      3.400     1.600     1.600 peak   586 weight  1.000000E+00 volume  4.99200E-01 ppm1      4.059 ppm2      2.496 CV     1

 ASSI {  578}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.600     1.600 peak   587 weight  1.000000E+00 volume  2.97500E-01 ppm1      4.052 ppm2      2.891 CV     1

 OR {  578}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 43   and name HD1 ))
 OR {  578}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  579}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.400     1.600     1.600 peak   588 weight  1.000000E+00 volume  6.81500E-01 ppm1      3.828 ppm2      2.890 CV     1

 ASSI {  580}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.600     1.600 peak   589 weight  1.000000E+00 volume  8.65300E-01 ppm1      4.051 ppm2      3.557 CV     1

 ASSI {  581}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 2    and name HB  ))
      3.400     1.600     1.600 peak   590 weight  1.000000E+00 volume  1.70790E+00 ppm1      3.707 ppm2      1.692 CV     1

 ASSI {  583}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 1    and name HB1 ))
      3.400     1.600     1.600 peak   592 weight  1.000000E+00 volume  1.65550E+00 ppm1      3.623 ppm2      2.539 CV     1

 ASSI {  584}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.600     1.600 peak   593 weight  1.000000E+00 volume  2.69590E+00 ppm1      3.621 ppm2      2.658 CV     1

 ASSI {  585}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.600     1.600 peak   594 weight  1.000000E+00 volume  6.58800E-01 ppm1      3.680 ppm2      2.659 CV     1

 ASSI {  586}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak   595 weight  1.000000E+00 volume  2.76410E+00 ppm1      3.488 ppm2      0.883 CV     1

 ASSI {  587}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak   596 weight  1.000000E+00 volume  4.44550E+00 ppm1      3.673 ppm2      0.880 CV     1

 ASSI {  588}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.600     1.600 peak   599 weight  1.000000E+00 volume  3.98380E+00 ppm1      3.344 ppm2      2.299 CV     1

 ASSI {  589}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak   600 weight  1.000000E+00 volume  1.07708E+01 ppm1      3.255 ppm2      1.300 CV     1

 ASSI {  590}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak   601 weight  1.000000E+00 volume  8.32110E+00 ppm1      3.148 ppm2      1.302 CV     1

 ASSI {  595}
   (( segid "    " and resid 22   and name HG21))
   (( segid "    " and resid 21   and name HG2 ))
      3.400     1.600     1.600 peak   606 weight  1.000000E+00 volume  2.65620E+00 ppm1      1.149 ppm2      2.500 CV     1

 ASSI {  596}
   (( segid "    " and resid 22   and name HG21))
   (( segid "    " and resid 21   and name HB2 ))
      3.400     1.600     1.600 peak   607 weight  1.000000E+00 volume  4.12650E+00 ppm1      1.150 ppm2      2.212 CV     1

 ASSI {  597}
   (( segid "    " and resid 22   and name HG21))
   (( segid "    " and resid 21   and name HB1 ))
      3.400     1.600     1.600 peak   608 weight  1.000000E+00 volume  1.58720E+00 ppm1      1.147 ppm2      2.149 CV     1

 ASSI {  598}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HG21))
      3.400     1.600     1.600 peak   609 weight  1.000000E+00 volume  3.60240E+00 ppm1      2.229 ppm2      1.131 CV     1

 ASSI {  599}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 22   and name HG21))
      3.400     1.600     1.600 peak   610 weight  1.000000E+00 volume  5.30730E+00 ppm1      2.163 ppm2      1.129 CV     1

 ASSI {  601}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak   612 weight  1.000000E+00 volume  3.80540E+00 ppm1      4.611 ppm2      0.882 CV     1

 ASSI {  602}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.600     1.600 peak   613 weight  1.000000E+00 volume  7.06600E-01 ppm1      3.791 ppm2      4.407 CV     1

 ASSI {  604}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.400     1.600     1.600 peak   615 weight  1.000000E+00 volume  2.84360E+00 ppm1      4.417 ppm2      3.778 CV     1

 ASSI {  610}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   621 weight  1.000000E+00 volume  1.22403E+01 ppm1      3.790 ppm2      1.310 CV     1

 ASSI {  611}
   (( segid "    " and resid 55   and name HG21))
   (( segid "    " and resid 50   and name HD1 ))
      3.400     1.600     1.600 peak   622 weight  1.000000E+00 volume  3.77400E-01 ppm1      1.027 ppm2      3.472 CV     1

 ASSI {  612}
   (( segid "    " and resid 55   and name HG21))
   (( segid "    " and resid 49   and name HA1 ))
      3.400     1.600     1.600 peak   623 weight  1.000000E+00 volume  3.97600E-01 ppm1      1.022 ppm2      3.557 CV     1

 ASSI {  613}
   (( segid "    " and resid 55   and name HD11))
   (( segid "    " and resid 50   and name HD1 ))
      3.400     1.600     1.600 peak   624 weight  1.000000E+00 volume  1.62410E+00 ppm1      0.895 ppm2      3.470 CV     1

 ASSI {  614}
   (( segid "    " and resid 55   and name HD11))
   (( segid "    " and resid 49   and name HA1 ))
      3.400     1.600     1.600 peak   625 weight  1.000000E+00 volume  2.47720E+00 ppm1      0.895 ppm2      3.556 CV     1

 ASSI {  615}
   (( segid "    " and resid 55   and name HD11))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.600     1.600 peak   626 weight  1.000000E+00 volume  2.31430E+00 ppm1      0.894 ppm2      3.666 CV     1

 ASSI {  618}
   (( segid "    " and resid 19   and name HG21))
   (( segid "    " and resid 25   and name HA1 ))
      3.400     1.600     1.600 peak   630 weight  1.000000E+00 volume  1.52180E+00 ppm1      1.044 ppm2      3.704 CV     1

 ASSI {  619}
   (( segid "    " and resid 19   and name HG21))
   (( segid "    " and resid 25   and name HA2 ))
      3.400     1.600     1.600 peak   631 weight  1.000000E+00 volume  6.26400E-01 ppm1      1.040 ppm2      4.603 CV     1

 ASSI {  620}
   (( segid "    " and resid 19   and name HG21))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.600     1.600 peak   632 weight  1.000000E+00 volume  4.89300E-01 ppm1      1.042 ppm2      4.869 CV     1

 OR {  620}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 24   and name HA  ))
 OR {  620}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  622}
   (( segid "    " and resid 55   and name HG21))
   (( segid "    " and resid 53   and name HB  ))
      3.400     1.600     1.600 peak   634 weight  1.000000E+00 volume  1.47040E+00 ppm1      1.026 ppm2      4.151 CV     1

 ASSI {  623}
   (( segid "    " and resid 2    and name HG21))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.600     1.600 peak   635 weight  1.000000E+00 volume  2.01010E+00 ppm1      0.931 ppm2      4.395 CV     1

 ASSI {  624}
   (( segid "    " and resid 33   and name HG21))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.600     1.600 peak   636 weight  1.000000E+00 volume  9.46740E+00 ppm1      1.122 ppm2      4.155 CV     1

 ASSI {  625}
   (( segid "    " and resid 33   and name HG21))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   637 weight  1.000000E+00 volume  6.94300E-01 ppm1      1.124 ppm2      2.304 CV     1

 ASSI {  626}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   638 weight  1.000000E+00 volume  5.42340E+00 ppm1      1.885 ppm2      3.694 CV     1

 ASSI {  627}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   639 weight  1.000000E+00 volume  9.05410E+00 ppm1      2.464 ppm2      3.693 CV     1

 ASSI {  628}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   640 weight  1.000000E+00 volume  2.73180E+00 ppm1      0.975 ppm2      2.299 CV     1

 ASSI {  629}
   (( segid "    " and resid 2    and name HG21))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.600     1.600 peak   641 weight  1.000000E+00 volume  4.56800E-01 ppm1      0.930 ppm2      2.204 CV     1

 ASSI {  630}
   (( segid "    " and resid 2    and name HG11))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.600     1.600 peak   642 weight  1.000000E+00 volume  6.55100E-01 ppm1      0.893 ppm2      2.206 CV     1

 ASSI {  631}
   (( segid "    " and resid 55   and name HD11))
   (( segid "    " and resid 47   and name HE2 ))
      3.400     1.600     1.600 peak   643 weight  1.000000E+00 volume  1.08610E+00 ppm1      0.895 ppm2      2.955 CV     1

 ASSI {  632}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 47   and name HE2 ))
      3.400     1.600     1.600 peak   644 weight  1.000000E+00 volume  4.06900E-01 ppm1      1.028 ppm2      2.950 CV     1

 ASSI {  633}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 47   and name HD2 ))
      3.400     1.600     1.600 peak   645 weight  1.000000E+00 volume  1.66400E+00 ppm1      1.067 ppm2      1.642 CV     1

 ASSI {  634}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 47   and name HD2 ))
      3.400     1.600     1.600 peak   646 weight  1.000000E+00 volume  1.20910E+00 ppm1      1.028 ppm2      1.637 CV     1

 ASSI {  635}
   (( segid "    " and resid 19   and name HG21))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.600     1.600 peak   647 weight  1.000000E+00 volume  2.99800E-01 ppm1      1.048 ppm2      2.268 CV     1

 OR {  635}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  636}
   (( segid "    " and resid 33   and name HG21))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.600     1.600 peak   649 weight  1.000000E+00 volume  4.23200E-01 ppm1      1.124 ppm2      2.891 CV     1

 ASSI {  637}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.600     1.600 peak   650 weight  1.000000E+00 volume  1.00900E+00 ppm1      0.976 ppm2      2.880 CV     1

 ASSI {  638}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 55   and name HG21))
      3.400     1.600     1.600 peak   651 weight  1.000000E+00 volume  9.75800E-01 ppm1      4.169 ppm2      1.009 CV     1

 ASSI {  639}
   (( segid "    " and resid 55   and name HD11))
   (( segid "    " and resid 49   and name HA2 ))
      3.400     1.600     1.600 peak   652 weight  1.000000E+00 volume  1.38370E+00 ppm1      0.895 ppm2      4.594 CV     1

 ASSI {  640}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 49   and name HA1 ))
      3.400     1.600     1.600 peak   653 weight  1.000000E+00 volume  1.06010E+00 ppm1      1.070 ppm2      3.551 CV     1

 ASSI {  641}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   655 weight  1.000000E+00 volume  4.74600E-01 ppm1      1.705 ppm2      3.693 CV     1

 ASSI {  642}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.600     1.600 peak   656 weight  1.000000E+00 volume  2.79870E+00 ppm1      1.713 ppm2      2.202 CV     1

 ASSI {  643}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.600     1.600 peak   657 weight  1.000000E+00 volume  3.75700E+00 ppm1      2.146 ppm2      4.894 CV     1

 ASSI {  644}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.600     1.600 peak   658 weight  1.000000E+00 volume  7.40400E-01 ppm1      2.160 ppm2      5.074 CV     1

 ASSI {  645}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.600     1.600 peak   659 weight  1.000000E+00 volume  4.45100E-01 ppm1      1.955 ppm2      5.071 CV     1

 ASSI {  646}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.600     1.600 peak   660 weight  1.000000E+00 volume  5.16810E+00 ppm1      2.313 ppm2      3.333 CV     1

 ASSI {  648}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 8    and name HB1 ))
      3.400     1.600     1.600 peak   662 weight  1.000000E+00 volume  2.70900E+00 ppm1      2.368 ppm2      3.088 CV     1

 ASSI {  649}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.600     1.600 peak   663 weight  1.000000E+00 volume  2.64730E+00 ppm1      3.129 ppm2      2.355 CV     1

 ASSI {  650}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.600     1.600 peak   664 weight  1.000000E+00 volume  1.95200E+00 ppm1      3.087 ppm2      2.357 CV     1

 ASSI {  651}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.600     1.600 peak   665 weight  1.000000E+00 volume  1.87410E+00 ppm1      3.088 ppm2      2.061 CV     1

 ASSI {  652}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.600     1.600 peak   666 weight  1.000000E+00 volume  2.22390E+00 ppm1      3.131 ppm2      2.067 CV     1

 ASSI {  653}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   667 weight  1.000000E+00 volume  1.38630E+00 ppm1      3.135 ppm2      1.868 CV     1

 ASSI {  654}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   668 weight  1.000000E+00 volume  1.15770E+00 ppm1      3.090 ppm2      1.865 CV     1

 ASSI {  655}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.600     1.600 peak   669 weight  1.000000E+00 volume  1.70440E+00 ppm1      2.675 ppm2      3.615 CV     1

 ASSI {  656}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.600     1.600 peak   670 weight  1.000000E+00 volume  1.27300E+00 ppm1      2.555 ppm2      3.611 CV     1

 ASSI {  657}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 43   and name HD2 ))
      3.400     1.600     1.600 peak   671 weight  1.000000E+00 volume  1.03180E+00 ppm1      2.778 ppm2      3.850 CV     1

 ASSI {  658}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.600     1.600 peak   672 weight  1.000000E+00 volume  1.47150E+00 ppm1      2.776 ppm2      3.333 CV     1

 ASSI {  659}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.600     1.600 peak   673 weight  1.000000E+00 volume  4.19100E-01 ppm1      5.521 ppm2      3.318 CV     1

 ASSI {  661}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 19   and name HG21))
      3.400     1.600     1.600 peak   675 weight  1.000000E+00 volume  6.18100E-01 ppm1      4.126 ppm2      1.023 CV     1

 ASSI {  662}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   676 weight  1.000000E+00 volume  1.58280E+00 ppm1      4.688 ppm2      0.961 CV     1

 ASSI {  674}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak   688 weight  1.000000E+00 volume  1.91000E+00 ppm1      1.648 ppm2      0.875 CV     1

 ASSI {  675}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 55   and name HG11))
      3.400     1.600     1.600 peak   689 weight  1.000000E+00 volume  2.11500E+00 ppm1      1.645 ppm2      1.044 CV     1

 ASSI {  676}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 55   and name HG21))
      3.400     1.600     1.600 peak   690 weight  1.000000E+00 volume  2.18960E+00 ppm1      1.661 ppm2      1.018 CV     1

 ASSI {  682}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 22   and name HG21))
      3.400     1.600     1.600 peak   696 weight  1.000000E+00 volume  1.17210E+00 ppm1      2.510 ppm2      1.131 CV     1

 ASSI {  683}
   (( segid "    " and resid 2    and name HG21))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   697 weight  1.000000E+00 volume  2.81100E-01 ppm1      0.931 ppm2      3.705 CV     1

 ASSI {  685}
   (( segid "    " and resid 2    and name HG21))
   (( segid "    " and resid 1    and name HB1 ))
      3.400     1.600     1.600 peak   699 weight  1.000000E+00 volume  3.84800E-01 ppm1      0.923 ppm2      2.527 CV     1

 OR {  685}
   (( segid "    " and resid 2    and name HG21))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  686}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      3.400     1.600     1.600 peak   700 weight  1.000000E+00 volume  1.40000E+00 ppm1      2.891 ppm2      2.753 CV     1

 ASSI {  687}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 54   and name HB1 ))
      3.400     1.600     1.600 peak   701 weight  1.000000E+00 volume  6.16900E-01 ppm1      3.865 ppm2      2.760 CV     1

 ASSI {  688}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.400     1.600     1.600 peak   702 weight  1.000000E+00 volume  1.22990E+00 ppm1      4.376 ppm2      2.462 CV     1

 ASSI {  689}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.600     1.600 peak   703 weight  1.000000E+00 volume  2.00040E+00 ppm1      4.376 ppm2      2.270 CV     1

 ASSI {  690}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   704 weight  1.000000E+00 volume  2.74710E+00 ppm1      4.538 ppm2      0.884 CV     1

 ASSI {  691}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 50   and name HG2 ))
      3.400     1.600     1.600 peak   708 weight  1.000000E+00 volume  1.21510E+00 ppm1      4.619 ppm2      2.061 CV     1

 ASSI {  692}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 55   and name HG12))
      3.400     1.600     1.600 peak   709 weight  1.000000E+00 volume  4.07200E-01 ppm1      4.617 ppm2      1.463 CV     1

 ASSI {  693}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.400     1.600     1.600 peak   710 weight  1.000000E+00 volume  2.96450E+00 ppm1      3.347 ppm2      4.045 CV     1

 ASSI {  694}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HD1 ))
      3.400     1.600     1.600 peak   711 weight  1.000000E+00 volume  3.71680E+00 ppm1      3.342 ppm2      3.821 CV     1

 ASSI {  695}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 18   and name HD1 ))
      3.400     1.600     1.600 peak   712 weight  1.000000E+00 volume  1.97780E+00 ppm1      3.572 ppm2      3.812 CV     1

 ASSI {  696}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.400     1.600     1.600 peak   713 weight  1.000000E+00 volume  1.15800E+00 ppm1      3.578 ppm2      4.043 CV     1

 ASSI {  697}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.400     1.600     1.600 peak   714 weight  1.000000E+00 volume  8.25500E-01 ppm1      2.909 ppm2      4.047 CV     1

 ASSI {  698}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.400     1.600     1.600 peak   715 weight  1.000000E+00 volume  3.30500E-01 ppm1      2.509 ppm2      4.038 CV     1

 ASSI {  699}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.600     1.600 peak   716 weight  1.000000E+00 volume  9.28500E-01 ppm1      3.066 ppm2      5.030 CV     1

 ASSI {  700}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.400     1.600     1.600 peak   717 weight  1.000000E+00 volume  3.12600E-01 ppm1      4.968 ppm2      2.547 CV     1

 ASSI {  701}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.600     1.600 peak   718 weight  1.000000E+00 volume  2.52500E-01 ppm1      4.971 ppm2      2.654 CV     1

 ASSI {  702}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.600     1.600 peak   719 weight  1.000000E+00 volume  7.21800E-01 ppm1      4.976 ppm2      2.705 CV     1

 ASSI {  703}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 2    and name HG11))
      3.400     1.600     1.600 peak   721 weight  1.000000E+00 volume  2.95200E-01 ppm1      4.314 ppm2      0.891 CV     1

 ASSI {  704}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.400     1.600     1.600 peak   722 weight  1.000000E+00 volume  1.13690E+00 ppm1      4.417 ppm2      1.453 CV     1

 ASSI {  705}
   (( segid "    " and resid 45   and name HA2 ))
   (( segid "    " and resid 44   and name HB1 ))
      3.400     1.600     1.600 peak   723 weight  1.000000E+00 volume  4.24900E-01 ppm1      4.308 ppm2      1.460 CV     1

 ASSI {  706}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      3.400     1.600     1.600 peak   724 weight  1.000000E+00 volume  2.18630E+00 ppm1      4.198 ppm2      1.812 CV     1

 ASSI {  707}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   725 weight  1.000000E+00 volume  4.11380E+00 ppm1      4.165 ppm2      1.108 CV     1

 ASSI {  709}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak   727 weight  1.000000E+00 volume  5.68700E-01 ppm1      4.159 ppm2      0.885 CV     1

 OR {  709}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HG11))
 OR {  709}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 55   and name HD11))
 OR {  709}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 55   and name HD11))
 ASSI {  710}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   728 weight  1.000000E+00 volume  5.03300E-01 ppm1      4.091 ppm2      1.306 CV     1

 ASSI {  711}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   729 weight  1.000000E+00 volume  1.07370E+00 ppm1      3.980 ppm2      1.311 CV     1

 ASSI {  712}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak   730 weight  1.000000E+00 volume  7.69400E-01 ppm1      3.966 ppm2      1.275 CV     1

 ASSI {  714}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.600     1.600 peak   732 weight  1.000000E+00 volume  7.63800E-01 ppm1      3.761 ppm2      5.080 CV     1

 ASSI {  716}
   (( segid "    " and resid 45   and name HA1 ))
   (( segid "    " and resid 44   and name HB1 ))
      3.400     1.600     1.600 peak   734 weight  1.000000E+00 volume  1.21720E+00 ppm1      3.635 ppm2      1.456 CV     1

 ASSI {  717}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak   735 weight  1.000000E+00 volume  9.31000E-01 ppm1      3.320 ppm2      2.115 CV     1

 ASSI {  718}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak   736 weight  1.000000E+00 volume  2.33700E+00 ppm1      2.872 ppm2      2.107 CV     1

 ASSI {  719}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   737 weight  1.000000E+00 volume  4.15880E+00 ppm1      3.089 ppm2      1.309 CV     1

 ASSI {  720}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   738 weight  1.000000E+00 volume  3.66400E-01 ppm1      2.888 ppm2      1.311 CV     1

 ASSI {  722}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 39   and name HB1 ))
      3.400     1.600     1.600 peak   741 weight  1.000000E+00 volume  1.00570E+00 ppm1      7.460 ppm2      1.557 CV     1

 ASSI {  723}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   742 weight  1.000000E+00 volume  1.17920E+00 ppm1      7.251 ppm2      1.864 CV     1

 OR {  723}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  723}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  723}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  725}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.600     1.600 peak   744 weight  1.000000E+00 volume  1.34920E+00 ppm1      4.010 ppm2      2.347 CV     1

 ASSI {  726}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   745 weight  1.000000E+00 volume  2.11730E+00 ppm1      2.776 ppm2      2.294 CV     1

 ASSI {  727}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   746 weight  1.000000E+00 volume  5.09730E+00 ppm1      2.840 ppm2      2.296 CV     1

 OR {  727}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  727}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  727}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  728}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     1.600     1.600 peak   747 weight  1.000000E+00 volume  1.49760E+00 ppm1      2.849 ppm2      2.452 CV     1

 ASSI {  729}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   748 weight  1.000000E+00 volume  2.57600E-01 ppm1      1.319 ppm2      2.310 CV     1

 OR {  729}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  729}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 3    and name HG1 ))
 ASSI {  730}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
      3.400     1.600     1.600 peak   749 weight  1.000000E+00 volume  3.81300E-01 ppm1      1.317 ppm2      1.819 CV     1

 OR {  730}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  730}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HB  ))
 OR {  730}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  730}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  731}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.400     1.600     1.600 peak   750 weight  1.000000E+00 volume  7.09020E+00 ppm1      1.322 ppm2      3.789 CV     1

 ASSI {  732}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.600     1.600 peak   751 weight  1.000000E+00 volume  1.05450E+00 ppm1      2.118 ppm2      3.304 CV     1

 ASSI {  733}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.600     1.600 peak   752 weight  1.000000E+00 volume  2.32380E+00 ppm1      2.110 ppm2      2.853 CV     1

 ASSI {  734}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   753 weight  1.000000E+00 volume  3.24200E-01 ppm1      3.981 ppm2      3.250 CV     1

 ASSI {  735}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.600     1.600 peak   754 weight  1.000000E+00 volume  1.03630E+00 ppm1      4.307 ppm2      5.190 CV     1

 OR {  735}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  736}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 45   and name HA2 ))
      3.400     1.600     1.600 peak   755 weight  1.000000E+00 volume  4.96000E-01 ppm1      6.944 ppm2      4.295 CV     1

 OR {  736}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  738}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   757 weight  1.000000E+00 volume  7.77600E-01 ppm1      6.755 ppm2      1.881 CV     1

 OR {  738}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  738}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  740}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   759 weight  1.000000E+00 volume  8.69900E-01 ppm1      6.953 ppm2      1.858 CV     1

 OR {  740}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  741}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 5    and name HA1 ))
      3.400     1.600     1.600 peak   760 weight  1.000000E+00 volume  1.54800E-01 ppm1      7.479 ppm2      3.666 CV     1

 OR {  741}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  742}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 5    and name HA2 ))
      3.400     1.600     1.600 peak   761 weight  1.000000E+00 volume  1.21760E+00 ppm1      7.483 ppm2      4.081 CV     1

 OR {  742}
   (( segid "    " and resid 3    and name HE22))
   (( segid "    " and resid 33   and name HA  ))
 OR {  742}
   (( segid "    " and resid 3    and name HE22))
   (( segid "    " and resid 2    and name HA  ))
 OR {  742}
   (( segid "    " and resid 3    and name HE22))
   (( segid "    " and resid 5    and name HA2 ))
 ASSI {  747}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 55   and name HG21))
      3.400     1.600     1.600 peak   768 weight  1.000000E+00 volume  6.79700E-01 ppm1      3.479 ppm2      1.013 CV     1

 OR {  747}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 55   and name HG11))
 ASSI {  749}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 47   and name HG1 ))
      3.400     1.600     1.600 peak   770 weight  1.000000E+00 volume  1.78300E-01 ppm1      3.484 ppm2      1.446 CV     1

 OR {  749}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 55   and name HG12))
 OR {  749}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  750}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 43   and name HG1 ))
      3.400     1.600     1.600 peak   771 weight  1.000000E+00 volume  4.11500E-01 ppm1      4.183 ppm2      1.592 CV     1

 OR {  750}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR {  750}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR {  750}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR {  750}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI {  751}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.600     1.600 peak   772 weight  1.000000E+00 volume  3.73400E-01 ppm1      0.975 ppm2      5.033 CV     1

 OR {  751}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  752}
   (( segid "    " and resid 53   and name HG21))
   (( segid "    " and resid 51   and name HA1 ))
      3.400     1.600     1.600 peak   773 weight  1.000000E+00 volume  6.12100E-01 ppm1      1.257 ppm2      3.884 CV     1

 ASSI {  755}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.400     1.600     1.600 peak   777 weight  1.000000E+00 volume  3.83800E-01 ppm1      4.529 ppm2      3.885 CV     1

 OR {  755}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 51   and name HA1 ))
 OR {  755}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
 ASSI {  759}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.600     1.600 peak   781 weight  1.000000E+00 volume  2.20960E+00 ppm1      2.838 ppm2      1.863 CV     1

 OR {  759}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 43   and name HB1 ))
 OR {  759}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  759}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  760}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.600     1.600 peak   782 weight  1.000000E+00 volume  4.87900E-01 ppm1      3.253 ppm2      2.490 CV     1

 OR {  760}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  760}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  760}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 21   and name HG1 ))
 ASSI {  762}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.600     1.600 peak   785 weight  1.000000E+00 volume  3.01900E-01 ppm1      3.108 ppm2      2.936 CV     1

 OR {  762}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 47   and name HE2 ))
 OR {  762}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 47   and name HE1 ))
# Restraints file 3: n15noesy.tbl
 ASSI {    9}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.600     1.600 peak     9 weight  1.000000E+00 volume  6.54863E+01 ppm1      8.390 ppm2      2.651 CV     1

 ASSI {   10}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.400     1.600     1.600 peak    10 weight  1.000000E+00 volume  2.06698E+01 ppm1      8.390 ppm2      2.509 CV     1

 ASSI {   11}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      3.400     1.600     1.600 peak    12 weight  1.000000E+00 volume  1.51397E+02 ppm1      8.391 ppm2      4.722 CV     1

 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.400     1.600     1.600 peak    13 weight  1.000000E+00 volume  2.91336E+02 ppm1      8.545 ppm2      4.091 CV     1

 ASSI {   15}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.400     1.600     1.600 peak    16 weight  1.000000E+00 volume  1.49730E+00 ppm1      8.543 ppm2      1.683 CV     1

 ASSI {   16}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG11))
      3.400     1.600     1.600 peak    17 weight  1.000000E+00 volume  5.34501E+01 ppm1      8.547 ppm2      0.885 CV     1

 ASSI {   20}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.600     1.600 peak    21 weight  1.000000E+00 volume  1.94968E+02 ppm1      8.600 ppm2      4.137 CV     1

 ASSI {   21}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG2 ))
      3.400     1.600     1.600 peak    22 weight  1.000000E+00 volume  1.78350E+00 ppm1      8.593 ppm2      2.401 CV     1

 ASSI {   25}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.600     1.600 peak    26 weight  1.000000E+00 volume  1.76200E+00 ppm1      7.209 ppm2      4.320 CV     1

 ASSI {   28}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.600     1.600 peak    29 weight  1.000000E+00 volume  3.33517E+01 ppm1      7.208 ppm2      2.041 CV     1

 ASSI {   29}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak    30 weight  1.000000E+00 volume  5.26200E-01 ppm1      7.209 ppm2      1.846 CV     1

 ASSI {   30}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
      3.400     1.600     1.600 peak    31 weight  1.000000E+00 volume  2.15464E+01 ppm1      8.630 ppm2      3.676 CV     1

 ASSI {   35}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA2 ))
      3.400     1.600     1.600 peak    36 weight  1.000000E+00 volume  1.21148E+01 ppm1      7.874 ppm2      4.176 CV     1

 ASSI {   36}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA1 ))
      3.400     1.600     1.600 peak    37 weight  1.000000E+00 volume  3.33559E+01 ppm1      7.873 ppm2      3.705 CV     1

 ASSI {   38}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.400     1.600     1.600 peak    39 weight  1.000000E+00 volume  3.57894E+01 ppm1      8.266 ppm2      3.086 CV     1

 ASSI {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.600     1.600 peak    41 weight  1.000000E+00 volume  2.85882E+02 ppm1      8.268 ppm2      4.712 CV     1

 ASSI {   42}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.600     1.600 peak    43 weight  1.000000E+00 volume  1.30249E+02 ppm1      8.773 ppm2      5.178 CV     1

 ASSI {   43}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.600     1.600 peak    44 weight  1.000000E+00 volume  1.34581E+02 ppm1      8.772 ppm2      3.636 CV     1

 ASSI {   46}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.400     1.600     1.600 peak    47 weight  1.000000E+00 volume  1.58476E+01 ppm1      8.772 ppm2      1.684 CV     1

 ASSI {   47}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 2    and name HG11))
      3.400     1.600     1.600 peak    48 weight  1.000000E+00 volume  1.05586E+01 ppm1      8.772 ppm2      0.897 CV     1

 ASSI {   49}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak    50 weight  1.000000E+00 volume  1.25196E+02 ppm1      8.827 ppm2      3.673 CV     1

 ASSI {   50}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.600     1.600 peak    51 weight  1.000000E+00 volume  1.65709E+01 ppm1      8.829 ppm2      2.208 CV     1

 ASSI {   51}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak    52 weight  1.000000E+00 volume  3.12848E+01 ppm1      8.827 ppm2      2.438 CV     1

 ASSI {   54}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.600     1.600 peak    57 weight  1.000000E+00 volume  1.11633E+02 ppm1      8.503 ppm2      4.401 CV     1

 ASSI {   56}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.600     1.600 peak    59 weight  1.000000E+00 volume  1.68768E+01 ppm1      8.502 ppm2      2.334 CV     1

 ASSI {   57}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.400     1.600     1.600 peak    60 weight  1.000000E+00 volume  1.09771E+01 ppm1      8.501 ppm2      1.840 CV     1

 ASSI {   59}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.600     1.600 peak    62 weight  1.000000E+00 volume  1.01947E+02 ppm1      8.500 ppm2      4.954 CV     1

 ASSI {   61}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.600     1.600 peak    65 weight  1.000000E+00 volume  6.55275E+01 ppm1      8.500 ppm2      3.318 CV     1

 ASSI {   64}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.600     1.600 peak    69 weight  1.000000E+00 volume  1.19924E+02 ppm1      8.678 ppm2      4.403 CV     1

 ASSI {   67}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     1.600     1.600 peak    72 weight  1.000000E+00 volume  1.49534E+01 ppm1      8.681 ppm2      2.755 CV     1

 ASSI {   68}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.400     1.600     1.600 peak    73 weight  1.000000E+00 volume  1.43170E+00 ppm1      8.680 ppm2      2.543 CV     1

 ASSI {   69}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      3.400     1.600     1.600 peak    74 weight  1.000000E+00 volume  8.25910E+00 ppm1      7.776 ppm2      4.205 CV     1

 ASSI {   70}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      3.400     1.600     1.600 peak    75 weight  1.000000E+00 volume  1.01553E+01 ppm1      7.777 ppm2      3.633 CV     1

 ASSI {   75}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.600     1.600 peak    80 weight  1.000000E+00 volume  8.01750E+01 ppm1      8.689 ppm2      4.766 CV     1

 ASSI {   78}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak    83 weight  1.000000E+00 volume  2.21369E+01 ppm1      8.692 ppm2      3.215 CV     1

 ASSI {   79}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak    84 weight  1.000000E+00 volume  2.53042E+01 ppm1      8.689 ppm2      2.443 CV     1

 ASSI {   80}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.600     1.600 peak    85 weight  1.000000E+00 volume  1.11589E+02 ppm1      8.690 ppm2      1.873 CV     1

 ASSI {   83}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.600     1.600 peak    89 weight  1.000000E+00 volume  1.45929E+02 ppm1      8.932 ppm2      4.534 CV     1

 ASSI {   86}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak    92 weight  1.000000E+00 volume  8.47475E+01 ppm1      8.932 ppm2      1.268 CV     1

 ASSI {   87}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 55   and name HD11))
      3.400     1.600     1.600 peak    93 weight  1.000000E+00 volume  3.52580E+00 ppm1      8.932 ppm2      0.886 CV     1

 OR {   87}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 2    and name HG11))
 OR {   87}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 2    and name HG21))
 ASSI {   88}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.600     1.600 peak    94 weight  1.000000E+00 volume  3.01970E+00 ppm1      8.933 ppm2      3.752 CV     1

 ASSI {   90}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.600     1.600 peak    96 weight  1.000000E+00 volume  1.49479E+01 ppm1      9.251 ppm2      2.742 CV     1

 ASSI {   91}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.600     1.600 peak    97 weight  1.000000E+00 volume  6.58450E+01 ppm1      9.253 ppm2      3.163 CV     1

 ASSI {   93}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.600     1.600 peak    99 weight  1.000000E+00 volume  1.45067E+02 ppm1      9.253 ppm2      5.186 CV     1

 ASSI {   94}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak   100 weight  1.000000E+00 volume  6.52510E+00 ppm1      9.253 ppm2      5.566 CV     1

 ASSI {   96}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.600     1.600 peak   102 weight  1.000000E+00 volume  6.45842E+01 ppm1      8.031 ppm2      4.872 CV     1

 ASSI {  101}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.400     1.600     1.600 peak   109 weight  1.000000E+00 volume  2.36357E+01 ppm1      8.054 ppm2      3.994 CV     1

 ASSI {  102}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG21))
      3.400     1.600     1.600 peak   110 weight  1.000000E+00 volume  3.94190E+00 ppm1      8.055 ppm2      1.058 CV     1

 ASSI {  105}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.600     1.600 peak   113 weight  1.000000E+00 volume  1.19886E+02 ppm1      9.258 ppm2      4.862 CV     1

 ASSI {  113}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.600     1.600 peak   121 weight  1.000000E+00 volume  8.31002E+01 ppm1      6.589 ppm2      4.733 CV     1

 ASSI {  114}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.400     1.600     1.600 peak   122 weight  1.000000E+00 volume  2.59690E+00 ppm1      6.476 ppm2      4.016 CV     1

 ASSI {  115}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.600     1.600 peak   123 weight  1.000000E+00 volume  8.76330E+00 ppm1      6.469 ppm2      4.443 CV     1

 ASSI {  117}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.400     1.600     1.600 peak   125 weight  1.000000E+00 volume  1.60480E+00 ppm1      9.259 ppm2      2.365 CV     1

 ASSI {  118}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.400     1.600     1.600 peak   126 weight  1.000000E+00 volume  3.72929E+01 ppm1      9.258 ppm2      3.169 CV     1

 ASSI {  120}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      3.400     1.600     1.600 peak   128 weight  1.000000E+00 volume  1.89279E+02 ppm1      8.491 ppm2      4.621 CV     1

 ASSI {  121}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      3.400     1.600     1.600 peak   129 weight  1.000000E+00 volume  6.88643E+01 ppm1      8.491 ppm2      3.715 CV     1

 ASSI {  123}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak   131 weight  1.000000E+00 volume  1.21246E+02 ppm1      9.787 ppm2      5.517 CV     1

 ASSI {  126}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.600     1.600 peak   134 weight  1.000000E+00 volume  1.11687E+01 ppm1      9.781 ppm2      2.836 CV     1

 ASSI {  130}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.600     1.600 peak   138 weight  1.000000E+00 volume  1.27543E+02 ppm1      9.664 ppm2      5.675 CV     1

 ASSI {  132}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.600     1.600 peak   140 weight  1.000000E+00 volume  5.00893E+01 ppm1      9.664 ppm2      2.779 CV     1

 ASSI {  133}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.600     1.600 peak   141 weight  1.000000E+00 volume  1.21468E+02 ppm1      8.185 ppm2      4.764 CV     1

 ASSI {  137}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
      3.400     1.600     1.600 peak   145 weight  1.000000E+00 volume  5.17420E+01 ppm1      8.186 ppm2      2.028 CV     1

 ASSI {  138}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
      3.400     1.600     1.600 peak   146 weight  1.000000E+00 volume  6.36800E-01 ppm1      8.185 ppm2      1.437 CV     1

 ASSI {  140}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG21))
      3.400     1.600     1.600 peak   148 weight  1.000000E+00 volume  1.02697E+01 ppm1      8.648 ppm2      1.244 CV     1

 ASSI {  142}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.400     1.600     1.600 peak   150 weight  1.000000E+00 volume  7.82822E+01 ppm1      8.648 ppm2      4.153 CV     1

 ASSI {  143}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.600     1.600 peak   151 weight  1.000000E+00 volume  5.68286E+01 ppm1      8.649 ppm2      4.369 CV     1

 ASSI {  146}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA2 ))
      3.400     1.600     1.600 peak   156 weight  1.000000E+00 volume  3.24320E+00 ppm1      6.766 ppm2      3.448 CV     1

 ASSI {  147}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA1 ))
      3.400     1.600     1.600 peak   157 weight  1.000000E+00 volume  1.19897E+01 ppm1      6.767 ppm2      3.099 CV     1

 ASSI {  150}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.400     1.600     1.600 peak   160 weight  1.000000E+00 volume  2.28988E+02 ppm1      8.283 ppm2      4.729 CV     1

 ASSI {  151}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.400     1.600     1.600 peak   161 weight  1.000000E+00 volume  1.60388E+01 ppm1      8.284 ppm2      3.883 CV     1

 ASSI {  158}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.400     1.600     1.600 peak   168 weight  1.000000E+00 volume  1.12739E+02 ppm1      9.250 ppm2      2.827 CV     1

 ASSI {  159}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.600     1.600 peak   169 weight  1.000000E+00 volume  1.71565E+02 ppm1      9.250 ppm2      4.755 CV     1

 ASSI {  160}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.600     1.600 peak   170 weight  1.000000E+00 volume  2.51301E+02 ppm1      8.700 ppm2      4.153 CV     1

 ASSI {  161}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.400     1.600     1.600 peak   171 weight  1.000000E+00 volume  6.05543E+01 ppm1      8.700 ppm2      1.461 CV     1

 ASSI {  163}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA2 ))
      3.400     1.600     1.600 peak   173 weight  1.000000E+00 volume  1.77583E+01 ppm1      8.214 ppm2      4.285 CV     1

 ASSI {  164}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA1 ))
      3.400     1.600     1.600 peak   174 weight  1.000000E+00 volume  3.10030E+00 ppm1      8.211 ppm2      3.577 CV     1

 ASSI {  169}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.600     1.600 peak   179 weight  1.000000E+00 volume  2.73864E+01 ppm1      9.250 ppm2      3.307 CV     1

 ASSI {  171}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.600     1.600 peak   181 weight  1.000000E+00 volume  1.80305E+02 ppm1      8.717 ppm2      4.679 CV     1

 ASSI {  174}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.600     1.600 peak   184 weight  1.000000E+00 volume  8.68220E+01 ppm1      8.718 ppm2      1.801 CV     1

 ASSI {  175}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD1 ))
      3.400     1.600     1.600 peak   185 weight  1.000000E+00 volume  4.80460E+01 ppm1      8.717 ppm2      1.611 CV     1

 ASSI {  176}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.400     1.600     1.600 peak   186 weight  1.000000E+00 volume  6.70250E+00 ppm1      8.717 ppm2      1.418 CV     1

 ASSI {  177}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.600     1.600 peak   187 weight  1.000000E+00 volume  1.80219E+02 ppm1      8.839 ppm2      5.142 CV     1

 ASSI {  180}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.400     1.600     1.600 peak   190 weight  1.000000E+00 volume  1.36803E+01 ppm1      8.839 ppm2      3.037 CV     1

 ASSI {  182}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.600     1.600 peak   192 weight  1.000000E+00 volume  1.37109E+02 ppm1      8.072 ppm2      4.668 CV     1

 ASSI {  183}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.600     1.600 peak   193 weight  1.000000E+00 volume  3.86817E+01 ppm1      8.071 ppm2      5.602 CV     1

 ASSI {  186}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.600     1.600 peak   196 weight  1.000000E+00 volume  2.72778E+01 ppm1      9.169 ppm2      5.019 CV     1

 ASSI {  188}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     1.600     1.600 peak   198 weight  1.000000E+00 volume  4.34710E+00 ppm1      9.171 ppm2      3.536 CV     1

 ASSI {  189}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.600     1.600 peak   199 weight  1.000000E+00 volume  7.73600E-01 ppm1      9.172 ppm2      2.973 CV     1

 ASSI {  197}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.600     1.600 peak   208 weight  1.000000E+00 volume  3.25383E+01 ppm1      8.139 ppm2      4.353 CV     1

 ASSI {  199}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.400     1.600     1.600 peak   210 weight  1.000000E+00 volume  4.11960E+00 ppm1      8.138 ppm2      3.027 CV     1

 ASSI {  200}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.600     1.600 peak   211 weight  1.000000E+00 volume  2.93180E+00 ppm1      8.138 ppm2      2.818 CV     1

 ASSI {  209}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.600     1.600 peak   220 weight  1.000000E+00 volume  3.91471E+01 ppm1      8.411 ppm2      4.126 CV     1

 ASSI {  210}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.400     1.600     1.600 peak   221 weight  1.000000E+00 volume  1.65246E+01 ppm1      8.516 ppm2      4.381 CV     1

 ASSI {  214}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.400     1.600     1.600 peak   226 weight  1.000000E+00 volume  2.10200E+01 ppm1      8.515 ppm2      1.711 CV     1

 ASSI {  215}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.400     1.600     1.600 peak   227 weight  1.000000E+00 volume  2.71835E+01 ppm1      8.514 ppm2      1.521 CV     1

 ASSI {  217}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.600     1.600 peak   229 weight  1.000000E+00 volume  9.27029E+01 ppm1      8.812 ppm2      5.005 CV     1

 ASSI {  219}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.600     1.600 peak   232 weight  1.000000E+00 volume  4.52532E+01 ppm1      8.813 ppm2      3.577 CV     1

 ASSI {  221}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.600     1.600 peak   234 weight  1.000000E+00 volume  1.18038E+02 ppm1      9.422 ppm2      5.595 CV     1

 ASSI {  222}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.600     1.600 peak   235 weight  1.000000E+00 volume  3.36018E+01 ppm1      9.424 ppm2      3.975 CV     1

 ASSI {  223}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.600     1.600 peak   236 weight  1.000000E+00 volume  8.01534E+01 ppm1      9.423 ppm2      3.075 CV     1

 ASSI {  226}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      3.400     1.600     1.600 peak   239 weight  1.000000E+00 volume  4.01280E+01 ppm1      9.422 ppm2      1.806 CV     1

 ASSI {  227}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   240 weight  1.000000E+00 volume  1.16246E+01 ppm1      9.421 ppm2      1.303 CV     1

 ASSI {  228}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   241 weight  1.000000E+00 volume  4.51736E+01 ppm1      9.421 ppm2      0.965 CV     1

 ASSI {  232}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.600     1.600 peak   245 weight  1.000000E+00 volume  1.77533E+02 ppm1      8.808 ppm2      4.084 CV     1

 ASSI {  233}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   246 weight  1.000000E+00 volume  6.31589E+01 ppm1      8.808 ppm2      0.962 CV     1

 ASSI {  235}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.600     1.600 peak   248 weight  1.000000E+00 volume  1.86830E+02 ppm1      8.839 ppm2      1.309 CV     1

 ASSI {  238}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.600     1.600 peak   251 weight  1.000000E+00 volume  1.79131E+02 ppm1      8.839 ppm2      4.179 CV     1

 ASSI {  239}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.400     1.600     1.600 peak   252 weight  1.000000E+00 volume  1.90314E+01 ppm1      8.287 ppm2      1.939 CV     1

 ASSI {  242}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.600     1.600 peak   255 weight  1.000000E+00 volume  5.03715E+01 ppm1      8.295 ppm2      3.958 CV     1

 ASSI {  247}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.600     1.600 peak   260 weight  1.000000E+00 volume  7.37214E+01 ppm1      8.213 ppm2      4.162 CV     1

 ASSI {  248}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.400     1.600     1.600 peak   261 weight  1.000000E+00 volume  3.69654E+01 ppm1      7.208 ppm2      8.605 CV     1

 ASSI {  249}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.600     1.600 peak   262 weight  1.000000E+00 volume  4.50751E+01 ppm1      8.600 ppm2      7.212 CV     1

 ASSI {  250}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.600     1.600 peak   264 weight  1.000000E+00 volume  6.82796E+01 ppm1      8.600 ppm2      5.178 CV     1

 ASSI {  251}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.600     1.600 peak   265 weight  1.000000E+00 volume  1.12710E+01 ppm1      8.388 ppm2      4.947 CV     1

 ASSI {  252}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.600     1.600 peak   266 weight  1.000000E+00 volume  2.96110E+00 ppm1      8.395 ppm2      3.645 CV     1

 ASSI {  253}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.600     1.600 peak   267 weight  1.000000E+00 volume  4.50940E+00 ppm1      8.388 ppm2      8.753 CV     1

 ASSI {  254}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.400     1.600     1.600 peak   269 weight  1.000000E+00 volume  1.28662E+01 ppm1      8.775 ppm2      8.361 CV     1

 ASSI {  255}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.600     1.600 peak   271 weight  1.000000E+00 volume  6.17250E+00 ppm1      8.770 ppm2      4.121 CV     1

 ASSI {  257}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.600     1.600 peak   274 weight  1.000000E+00 volume  4.24850E+00 ppm1      7.878 ppm2      2.071 CV     1

 ASSI {  258}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.600     1.600 peak   275 weight  1.000000E+00 volume  1.41450E+00 ppm1      7.880 ppm2      1.846 CV     1

 ASSI {  259}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.600     1.600 peak   276 weight  1.000000E+00 volume  1.84056E+01 ppm1      8.461 ppm2      7.876 CV     1

 ASSI {  260}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.600     1.600 peak   277 weight  1.000000E+00 volume  2.57260E+01 ppm1      7.873 ppm2      8.447 CV     1

 ASSI {  261}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.400     1.600     1.600 peak   278 weight  1.000000E+00 volume  3.90350E+00 ppm1      7.206 ppm2      3.102 CV     1

 ASSI {  262}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 24   and name HH2 ))
      3.400     1.600     1.600 peak   279 weight  1.000000E+00 volume  3.59660E+00 ppm1      7.876 ppm2      7.270 CV     1

 OR {  262}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 24   and name HE3 ))
 ASSI {  265}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 24   and name HD1 ))
      3.400     1.600     1.600 peak   283 weight  1.000000E+00 volume  3.30900E+00 ppm1      7.873 ppm2      6.726 CV     1

 OR {  265}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  266}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.600     1.600 peak   285 weight  1.000000E+00 volume  5.61440E+01 ppm1      7.777 ppm2      8.679 CV     1

 ASSI {  267}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.600     1.600 peak   286 weight  1.000000E+00 volume  3.74062E+01 ppm1      8.678 ppm2      7.778 CV     1

 ASSI {  268}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   287 weight  1.000000E+00 volume  1.32944E+01 ppm1      8.678 ppm2      0.920 CV     1

 ASSI {  269}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 2    and name HG21))
      3.400     1.600     1.600 peak   288 weight  1.000000E+00 volume  8.47160E+00 ppm1      7.777 ppm2      0.911 CV     1

 ASSI {  270}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.600     1.600 peak   289 weight  1.000000E+00 volume  7.30270E+00 ppm1      7.779 ppm2      4.413 CV     1

 ASSI {  271}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.600     1.600 peak   290 weight  1.000000E+00 volume  3.45510E+01 ppm1      8.691 ppm2      9.788 CV     1

 ASSI {  273}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.600     1.600 peak   292 weight  1.000000E+00 volume  2.06533E+01 ppm1      9.785 ppm2      8.689 CV     1

 ASSI {  274}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.400     1.600     1.600 peak   293 weight  1.000000E+00 volume  2.49038E+01 ppm1      9.785 ppm2      3.749 CV     1

 ASSI {  275}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak   294 weight  1.000000E+00 volume  3.93160E+00 ppm1      9.786 ppm2      1.292 CV     1

 ASSI {  276}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.600     1.600 peak   295 weight  1.000000E+00 volume  8.47290E+00 ppm1      9.253 ppm2      7.234 CV     1

 OR {  276}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HH2 ))
 ASSI {  277}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 19   and name HG21))
      3.400     1.600     1.600 peak   296 weight  1.000000E+00 volume  8.74238E+01 ppm1      9.258 ppm2      1.035 CV     1

 ASSI {  278}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.600     1.600 peak   297 weight  1.000000E+00 volume  1.95121E+01 ppm1      9.259 ppm2      3.976 CV     1

 ASSI {  279}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.600     1.600 peak   298 weight  1.000000E+00 volume  4.32540E+00 ppm1      9.258 ppm2      8.029 CV     1

 ASSI {  280}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.600     1.600 peak   299 weight  1.000000E+00 volume  6.72480E+00 ppm1      6.589 ppm2      8.036 CV     1

 ASSI {  281}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.600     1.600 peak   300 weight  1.000000E+00 volume  3.45444E+01 ppm1      6.589 ppm2      7.807 CV     1

 ASSI {  282}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.600     1.600 peak   301 weight  1.000000E+00 volume  2.44234E+01 ppm1      8.030 ppm2      1.636 CV     1

 OR {  282}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  282}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  283}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.600     1.600 peak   302 weight  1.000000E+00 volume  1.55719E+01 ppm1      8.055 ppm2      6.590 CV     1

 ASSI {  284}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.600     1.600 peak   303 weight  1.000000E+00 volume  0.00000E+00 ppm1      7.806 ppm2      6.588 CV     1

 ASSI {  285}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.600     1.600 peak   304 weight  1.000000E+00 volume  0.00000E+00 ppm1      7.808 ppm2      4.153 CV     1

 ASSI {  286}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.400     1.600     1.600 peak   305 weight  1.000000E+00 volume  0.00000E+00 ppm1      7.806 ppm2      2.184 CV     1

 ASSI {  287}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.600     1.600 peak   306 weight  1.000000E+00 volume  7.57240E+00 ppm1      8.946 ppm2      8.309 CV     1

 ASSI {  288}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.600     1.600 peak   307 weight  1.000000E+00 volume  4.66351E+01 ppm1      8.295 ppm2      8.925 CV     1

 ASSI {  289}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.600     1.600 peak   309 weight  1.000000E+00 volume  3.19484E+01 ppm1      8.836 ppm2      9.416 CV     1

 ASSI {  290}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.600     1.600 peak   310 weight  1.000000E+00 volume  2.11272E+01 ppm1      9.423 ppm2      8.845 CV     1

 ASSI {  291}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.600     1.600 peak   311 weight  1.000000E+00 volume  4.09896E+01 ppm1      7.536 ppm2      8.137 CV     1

 ASSI {  292}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.600     1.600 peak   312 weight  1.000000E+00 volume  5.17318E+01 ppm1      8.140 ppm2      8.401 CV     1

 ASSI {  293}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.600     1.600 peak   313 weight  1.000000E+00 volume  3.70138E+01 ppm1      8.141 ppm2      7.536 CV     1

 ASSI {  294}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.600     1.600 peak   314 weight  1.000000E+00 volume  3.68155E+01 ppm1      8.412 ppm2      8.136 CV     1

 ASSI {  295}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.600     1.600 peak   315 weight  1.000000E+00 volume  6.31703E+01 ppm1      8.213 ppm2      8.711 CV     1

 ASSI {  296}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.600     1.600 peak   316 weight  1.000000E+00 volume  2.54144E+01 ppm1      8.700 ppm2      8.211 CV     1

 ASSI {  298}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   318 weight  1.000000E+00 volume  2.31913E+01 ppm1      8.698 ppm2      1.108 CV     1

 ASSI {  299}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   319 weight  1.000000E+00 volume  1.56329E+01 ppm1      8.212 ppm2      1.102 CV     1

 ASSI {  300}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.600     1.600 peak   320 weight  1.000000E+00 volume  2.26008E+01 ppm1      6.769 ppm2      8.283 CV     1

 ASSI {  301}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.600     1.600 peak   321 weight  1.000000E+00 volume  3.24713E+01 ppm1      8.282 ppm2      6.765 CV     1

 ASSI {  302}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.600     1.600 peak   322 weight  1.000000E+00 volume  7.22650E+00 ppm1      8.841 ppm2      5.690 CV     1

 ASSI {  303}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
      3.400     1.600     1.600 peak   323 weight  1.000000E+00 volume  4.95060E+00 ppm1      8.842 ppm2      1.035 CV     1

 ASSI {  304}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.600     1.600 peak   324 weight  1.000000E+00 volume  5.22530E+00 ppm1      6.769 ppm2      8.853 CV     1

 ASSI {  305}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.600     1.600 peak   325 weight  1.000000E+00 volume  2.31060E+00 ppm1      8.831 ppm2      6.777 CV     1

 ASSI {  306}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.600     1.600 peak   326 weight  1.000000E+00 volume  6.19200E+00 ppm1      6.769 ppm2      5.112 CV     1

 ASSI {  307}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.600     1.600 peak   327 weight  1.000000E+00 volume  1.68355E+01 ppm1      9.663 ppm2      9.262 CV     1

 ASSI {  308}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.400     1.600     1.600 peak   328 weight  1.000000E+00 volume  3.06430E+00 ppm1      9.662 ppm2      1.642 CV     1

 ASSI {  310}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   331 weight  1.000000E+00 volume  3.05639E+01 ppm1      8.717 ppm2      0.965 CV     1

 ASSI {  311}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.600     1.600 peak   332 weight  1.000000E+00 volume  2.55387E+01 ppm1      9.251 ppm2      9.681 CV     1

 ASSI {  312}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA1 ))
      3.400     1.600     1.600 peak   333 weight  1.000000E+00 volume  5.88320E+00 ppm1      8.463 ppm2      3.944 CV     1

 ASSI {  313}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.600     1.600 peak   334 weight  1.000000E+00 volume  3.12630E+00 ppm1      8.774 ppm2      2.630 CV     1

 ASSI {  314}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 3    and name HG2 ))
      3.400     1.600     1.600 peak   335 weight  1.000000E+00 volume  1.57030E+00 ppm1      8.770 ppm2      2.423 CV     1

 OR {  314}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
 OR {  314}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 38   and name HG1 ))
 OR {  314}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  315}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.400     1.600     1.600 peak   337 weight  1.000000E+00 volume  1.00450E+00 ppm1      8.502 ppm2      2.137 CV     1

 OR {  315}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR {  315}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  315}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
 ASSI {  317}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.600     1.600 peak   339 weight  1.000000E+00 volume  1.46310E+00 ppm1      7.776 ppm2      2.857 CV     1

 OR {  317}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  317}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI {  318}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.600     1.600 peak   342 weight  1.000000E+00 volume  3.80271E+01 ppm1      8.055 ppm2      1.617 CV     1

 ASSI {  319}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.600     1.600 peak   343 weight  1.000000E+00 volume  5.54760E+00 ppm1      9.788 ppm2      1.892 CV     1

 ASSI {  321}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.400     1.600     1.600 peak   346 weight  1.000000E+00 volume  6.48500E-01 ppm1      8.073 ppm2      0.957 CV     1

 ASSI {  322}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.600     1.600 peak   348 weight  1.000000E+00 volume  2.48970E+00 ppm1      8.409 ppm2      4.973 CV     1

 OR {  322}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  322}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  322}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  324}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     1.600     1.600 peak   350 weight  1.000000E+00 volume  6.59000E-01 ppm1      8.410 ppm2      3.542 CV     1

 OR {  324}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 49   and name HA1 ))
 OR {  324}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 OR {  324}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  325}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      3.400     1.600     1.600 peak   351 weight  1.000000E+00 volume  6.15740E+00 ppm1      8.500 ppm2      3.801 CV     1

 OR {  325}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 28   and name HD1 ))
 OR {  325}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {  326}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 53   and name HG21))
      3.400     1.600     1.600 peak   352 weight  1.000000E+00 volume  6.76140E+00 ppm1      8.502 ppm2      1.266 CV     1

 OR {  326}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  327}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.600     1.600 peak   353 weight  1.000000E+00 volume  2.44400E+00 ppm1      8.216 ppm2      1.844 CV     1

 OR {  327}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
 OR {  327}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  327}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  327}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  328}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      3.400     1.600     1.600 peak   354 weight  1.000000E+00 volume  5.67460E+00 ppm1      8.213 ppm2      1.456 CV     1

 OR {  328}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
 OR {  328}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
 OR {  328}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 OR {  328}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  329}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.600     1.600 peak   355 weight  1.000000E+00 volume  3.10570E+00 ppm1      9.254 ppm2      4.113 CV     1

 ASSI {  330}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
      3.400     1.600     1.600 peak   356 weight  1.000000E+00 volume  5.76510E+00 ppm1      9.246 ppm2      2.032 CV     1

 ASSI {  331}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
      3.400     1.600     1.600 peak   357 weight  1.000000E+00 volume  7.96330E+00 ppm1      9.248 ppm2      1.041 CV     1

 ASSI {  332}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.400     1.600     1.600 peak   358 weight  1.000000E+00 volume  8.95300E-01 ppm1      6.769 ppm2      3.892 CV     1

 ASSI {  333}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.600     1.600 peak   359 weight  1.000000E+00 volume  4.13180E+00 ppm1      9.663 ppm2      5.150 CV     1

 ASSI {  334}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.400     1.600     1.600 peak   360 weight  1.000000E+00 volume  1.07111E+01 ppm1      8.591 ppm2      3.112 CV     1

 ASSI {  339}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak   365 weight  1.000000E+00 volume  6.03280E+00 ppm1      8.686 ppm2      5.519 CV     1

 ASSI {  340}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HG21))
      3.400     1.600     1.600 peak   366 weight  1.000000E+00 volume  1.35400E+00 ppm1      9.250 ppm2      1.250 CV     1

 ASSI {  341}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.600     1.600 peak   367 weight  1.000000E+00 volume  2.34270E+00 ppm1      9.258 ppm2      5.536 CV     1

 ASSI {  342}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.600     1.600 peak   368 weight  1.000000E+00 volume  2.47680E+00 ppm1      9.783 ppm2      2.485 CV     1

 OR {  342}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  342}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 21   and name HG% )
 ASSI {  345}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.600     1.600 peak   373 weight  1.000000E+00 volume  4.89290E+00 ppm1      8.285 ppm2      3.222 CV     1

 OR {  345}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  350}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.600     1.600 peak   380 weight  1.000000E+00 volume  3.51420E+00 ppm1      8.072 ppm2      3.122 CV     1

 ASSI {  351}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.600     1.600 peak   381 weight  1.000000E+00 volume  9.05430E+00 ppm1      8.070 ppm2      3.979 CV     1

 OR {  351}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 OR {  351}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  352}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      3.400     1.600     1.600 peak   383 weight  1.000000E+00 volume  1.59510E+00 ppm1      8.139 ppm2      3.487 CV     1

 OR {  352}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 50   and name HD1 ))
 OR {  352}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  353}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.400     1.600     1.600 peak   384 weight  1.000000E+00 volume  1.22090E+00 ppm1      8.410 ppm2      2.461 CV     1

 ASSI {  354}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.600     1.600 peak   385 weight  1.000000E+00 volume  2.34370E+00 ppm1      8.517 ppm2      2.899 CV     1

 OR {  354}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
 OR {  354}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  355}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HG21))
      3.400     1.600     1.600 peak   386 weight  1.000000E+00 volume  1.95958E+01 ppm1      9.422 ppm2      1.093 CV     1

 ASSI {  356}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.600     1.600 peak   387 weight  1.000000E+00 volume  5.93000E-01 ppm1      8.210 ppm2      2.297 CV     1

 OR {  356}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  358}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.600     1.600 peak   389 weight  1.000000E+00 volume  2.57920E+00 ppm1      8.838 ppm2      4.379 CV     1

 OR {  358}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  358}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  358}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  359}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG21))
      3.400     1.600     1.600 peak   390 weight  1.000000E+00 volume  1.18710E+00 ppm1      8.837 ppm2      1.240 CV     1

 ASSI {  360}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.400     1.600     1.600 peak   391 weight  1.000000E+00 volume  2.94700E+00 ppm1      8.284 ppm2      4.530 CV     1

 ASSI {  361}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HG21))
      3.400     1.600     1.600 peak   392 weight  1.000000E+00 volume  5.52880E+00 ppm1      8.647 ppm2      1.012 CV     1

 OR {  361}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
 OR {  361}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 19   and name HG21))
 ASSI {  362}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.600     1.600 peak   394 weight  1.000000E+00 volume  3.44680E+00 ppm1      9.671 ppm2      3.329 CV     1

 OR {  362}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  368}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.600     1.600 peak   400 weight  1.000000E+00 volume  2.74660E+00 ppm1      6.590 ppm2      4.188 CV     1

 ASSI {  375}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.600     1.600 peak   410 weight  1.000000E+00 volume  2.99356E+01 ppm1      8.832 ppm2      8.260 CV     1

 OR {  375}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 OR {  375}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
 OR {  375}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  376}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.600     1.600 peak   411 weight  1.000000E+00 volume  7.42800E-01 ppm1      8.069 ppm2      9.412 CV     1

 ASSI {  377}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.600     1.600 peak   412 weight  1.000000E+00 volume  3.74070E+00 ppm1      7.534 ppm2      9.171 CV     1

 ASSI {  378}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.600     1.600 peak   413 weight  1.000000E+00 volume  4.28200E-01 ppm1      9.177 ppm2      7.564 CV     1

 ASSI {  379}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.400     1.600     1.600 peak   414 weight  1.000000E+00 volume  1.93010E+00 ppm1      7.537 ppm2      8.400 CV     1

 OR {  379}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  380}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.600     1.600 peak   416 weight  1.000000E+00 volume  3.30770E+00 ppm1      8.031 ppm2      9.243 CV     1

 OR {  380}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  382}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.600     1.600 peak   418 weight  1.000000E+00 volume  3.33470E+00 ppm1      8.217 ppm2      9.246 CV     1

 ASSI {  383}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.400     1.600     1.600 peak   421 weight  1.000000E+00 volume  2.73680E+00 ppm1      9.250 ppm2      6.898 CV     1

 ASSI {  384}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.400     1.600     1.600 peak   423 weight  1.000000E+00 volume  1.08958E+01 ppm1      9.666 ppm2      6.930 CV     1

 OR {  384}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 24   and name HZ3 ))
 ASSI {  385}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.400     1.600     1.600 peak   424 weight  1.000000E+00 volume  6.58000E+00 ppm1      8.185 ppm2      6.933 CV     1

 OR {  385}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 24   and name HZ3 ))
# Restraints file 4: dihedrals.tbl
! Output_2 generated by user pwang on 09.01.2004.
! Phi:
assign (resid   1  and name C)
       (resid   2  and name N)
       (resid   2  and name CA)
       (resid   2  and name C)
       1.0 -120  30 2
assign (resid   9  and name C)
       (resid   10 and name N)
       (resid   10 and name CA)
       (resid   10 and name C)
       1.0 -120  30 2
assign (resid   11 and name C)
       (resid   12 and name N)
       (resid   12 and name CA)
       (resid   12 and name C)
       1.0 -60    30 2
assign (resid   13 and name C)
       (resid   14 and name N)
       (resid   14 and name CA)
       (resid   14 and name C)
       1.0 -120  30 2
assign (resid   14 and name C)
       (resid   15 and name N)
       (resid   15 and name CA)
       (resid   15 and name C)
       1.0 -120  30 2
assign (resid   15 and name C)
       (resid   16 and name N)
       (resid   16 and name CA)
       (resid   16 and name C)
       1.0 -60    30 2
assign (resid   16 and name C)
       (resid   17 and name N)
       (resid   17 and name CA)
       (resid   17 and name C)
       1.0 -120  30 2
assign (resid   18 and name C)
       (resid   19 and name N)
       (resid   19 and name CA)
       (resid   19 and name C)
       1.0 -60  30 2
assign (resid   19 and name C)
       (resid   20 and name N)
       (resid   20 and name CA)
       (resid   20 and name C)
       1.0 -120  30 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  30 2
assign (resid   25 and name C)
       (resid   26 and name N)
       (resid   26 and name CA)
       (resid   26 and name C)
       1.0 -120  30 2
assign (resid   30 and name C)
       (resid   31 and name N)
       (resid   31 and name CA)
       (resid   31 and name C)
       1.0 -60    30 2
assign (resid   33 and name C)
       (resid   34 and name N)
       (resid   34 and name CA)
       (resid   34 and name C)
       1.0 -60    30 2
assign (resid   34 and name C)
       (resid   35 and name N)
       (resid   35 and name CA)
       (resid   35 and name C)
       1.0 -60    30 2
assign (resid   36 and name C)
       (resid   37 and name N)
       (resid   37 and name CA)
       (resid   37 and name C)
       1.0 -60    30 2
assign (resid   37 and name C)
       (resid   38 and name N)
       (resid   38 and name CA)
       (resid   38 and name C)
       1.0 -120   30 2
assign (resid   38 and name C)
       (resid   39 and name N)
       (resid   39 and name CA)
       (resid   39 and name C)
       1.0 -120  30 2
assign (resid   41 and name C)
       (resid   42 and name N)
       (resid   42 and name CA)
       (resid   42 and name C)
       1.0 -120  30 2
assign (resid   43 and name C)
       (resid   44 and name N)
       (resid   44 and name CA)
       (resid   44 and name C)
       1.0 -60    30 2
assign (resid   46 and name C)
       (resid   47 and name N)
       (resid   47 and name CA)
       (resid   47 and name C)
       1.0 -120  30 2
assign (resid   47 and name C)
       (resid   48 and name N)
       (resid   48 and name CA)
       (resid   48 and name C)
       1.0 -60    30 2
assign (resid   53 and name C)
       (resid   54 and name N)
       (resid   54 and name CA)
       (resid   54 and name C)
       1.0 -120  30 2
assign (resid   54 and name C)
       (resid   55 and name N)
       (resid   55 and name CA)
       (resid   55 and name C)
       1.0 -120  30 2

# Restraints file 5: hbonds.tbl
! This file contains the hydrogen bond constraints...


assign (resid  15 and name HN   ) (resid  27 and name O   )    1.800    0.000    0.200
assign (resid  15 and name  N   ) (resid  27 and name O   )    2.700    0.000    0.300
assign (resid  27 and name HN   ) (resid  15 and name O   )    1.800    0.000    0.200
assign (resid  27 and name  N   ) (resid  15 and name O   )    2.700    0.000    0.300
assign (resid  17 and name HN   ) (resid  25 and name O   )    1.800    0.000    0.200
assign (resid  17 and name  N   ) (resid  25 and name O   )    2.700    0.000    0.300
assign (resid  25 and name HN   ) (resid  17 and name O   )    1.800    0.000    0.200
assign (resid  25 and name  N   ) (resid  17 and name O   )    2.700    0.000    0.300
assign (resid  33 and name HN   ) (resid  42 and name O   )    1.800    0.000    0.200
assign (resid  33 and name  N   ) (resid  42 and name O   )    2.700    0.000    0.300
assign (resid  42 and name HN   ) (resid  33 and name O   )    1.800    0.000    0.200
assign (resid  42 and name  N   ) (resid  33 and name O   )    2.700    0.000    0.300
assign (resid  40 and name HN   ) (resid  35 and name O   )    1.800    0.000    0.200
assign (resid  40 and name  N   ) (resid  35 and name O   )    2.700    0.000    0.300
assign (resid  47 and name HN   ) (resid  55 and name O   )    1.800    0.000    0.200
assign (resid  47 and name  N   ) (resid  55 and name O   )    2.700    0.000    0.300
assign (resid  55 and name HN   ) (resid  47 and name O   )    1.800    0.000    0.200
assign (resid  55 and name  N   ) (resid  47 and name O   )    2.700    0.000    0.300
assign (resid  14 and name HN   ) (resid  11 and name O   )    1.800    0.000    0.200
assign (resid  14 and name  N   ) (resid  11 and name O   )    2.700    0.000    0.300
assign (resid  46 and name HN   ) (resid  43 and name O   )    1.800    0.000    0.200
assign (resid  46 and name  N   ) (resid  43 and name O   )    2.700    0.000    0.300
# Restraints file 6: rdc.tbl
! resid 999 contains the four atoms which define the tensor
! the coordinates of resid 999 are appended to the pdb
! use our pdf file for the tensor
!
! the data are in the format:
! assign (atomselection) value error


assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 1    and name N   )
       ( resid 1    and name HN  )   -2.3  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )   10.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 3  and name N   )
       ( resid 3  and name HN  )    14.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 4  and name N   )
       ( resid 4  and name HN  )    -5.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 5  and name N   )
       ( resid 5  and name HN  )   -3.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 6  and name N   )
       ( resid 6  and name HN  )  7.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 7  and name N   )
       ( resid 7  and name HN  )  6.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 8  and name N   )
       ( resid 8  and name HN  )    -4.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 10  and name N   )
       ( resid 10  and name HN  )  12.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 11  and name N   )
       ( resid 11  and name HN  )   17.7  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 12  and name N   )
       ( resid 12  and name HN  )   -2.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 13  and name N   )
       ( resid 13  and name HN  )   3.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 14  and name N   )
       ( resid 14  and name HN  )   2.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 15  and name N   )
       ( resid 15  and name HN  )    13.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 16  and name N   )
       ( resid 16  and name HN  )    14.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 17  and name N   )
       ( resid 17  and name HN  )   -1.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 19  and name N   )
       ( resid 19  and name HN  )  -2.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 20  and name N   )
       ( resid 20  and name HN  )  18.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 22  and name N   )
       ( resid 22  and name HN  )  13.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 23  and name N   )
       ( resid 23  and name HN  )    -0.81  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 25  and name N   )
       ( resid 25  and name HN  )   -4.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 26    and name N   )
       ( resid 26    and name HN  )   5.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 27    and name N   )
       ( resid 27    and name HN  )   9.9  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 31  and name N   )
       ( resid 31  and name HN  )    -9.8  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 33  and name N   )
       ( resid 33  and name HN  )    -4.8  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 34  and name N   )
       ( resid 34  and name HN  )   9.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 35  and name N   )
       ( resid 35  and name HN  )  -5.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 36  and name N   )
       ( resid 36  and name HN  )  -9.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 37  and name N   )
       ( resid 37  and name HN  )    -9.8  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 38  and name N   )
       ( resid 38  and name HN  )  2.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 39  and name N   )
       ( resid 39  and name HN  )   -7.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 40  and name N   )
       ( resid 40  and name HN  )   -4.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 41  and name N   )
       ( resid 41  and name HN  )   0.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 42  and name N   )
       ( resid 42  and name HN  )   0.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 44  and name N   )
       ( resid 44  and name HN  )    -1.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 45  and name N   )
       ( resid 45  and name HN  )    -10.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 46  and name N   )
       ( resid 46  and name HN  )   -7.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 47  and name N   )
       ( resid 47  and name HN  )  -5.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 48  and name N   )
       ( resid 48  and name HN  )  -1.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 49  and name N   )
       ( resid 49  and name HN  )  -4.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 52  and name N   )
       ( resid 52  and name HN  )    -4.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 53  and name N   )
       ( resid 53  and name HN  )   0.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 54  and name N   )
       ( resid 54  and name HN  )   -4.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 55  and name N   )
       ( resid 55  and name HN  )   -9.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 56  and name N   )
       ( resid 56  and name HN  )   3.2  0.5000 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           HT1      ASP   1   3.545  16.895  -2.621
    2    H2   ASP   1           HT2      ASP   1   2.368  17.210  -3.795
    3    H3   ASP   1           HT3      ASP   1   3.939  16.797  -4.264
    4    HA   ASP   1           HA       ASP   1   2.374  14.948  -4.524
    5    HB2  ASP   1           HB2      ASP   1   3.891  13.582  -2.634
    6    HB3  ASP   1           HB1      ASP   1   4.337  13.872  -4.313
    7    H    VAL   2           HN       VAL   2   2.170  12.915  -2.633
    8    HA   VAL   2           HA       VAL   2   0.115  14.017  -0.835
    9    HB   VAL   2           HB       VAL   2   0.300  11.121  -1.617
   10   HG11  VAL   2          HG11      VAL   2  -2.340  12.177  -1.288
   11   HG12  VAL   2          HG12      VAL   2  -1.349  12.613   0.104
   12   HG13  VAL   2          HG13      VAL   2  -1.519  10.920  -0.362
   13   HG21  VAL   2          HG21      VAL   2  -1.620  12.828  -3.072
   14   HG22  VAL   2          HG22      VAL   2  -0.720  11.412  -3.614
   15   HG23  VAL   2          HG23      VAL   2   0.073  12.985  -3.540
   16    H    GLN   3           HN       GLN   3   0.571  14.022   1.260
   17    HA   GLN   3           HA       GLN   3   2.879  12.638   2.277
   18    HB2  GLN   3           HB2      GLN   3   0.840  14.492   3.471
   19    HB3  GLN   3           HB1      GLN   3   1.981  13.633   4.495
   20    HG2  GLN   3           HG2      GLN   3   3.780  14.618   2.936
   21    HG3  GLN   3           HG1      GLN   3   2.511  15.736   2.439
   22   HE21  GLN   3          HE21      GLN   3   4.627  16.870   3.494
   23   HE22  GLN   3          HE22      GLN   3   4.344  17.400   5.114
   24    H    CYS   4           HN       CYS   4   2.836  10.568   2.802
   25    HA   CYS   4           HA       CYS   4   0.563   8.985   3.079
   26    HB2  CYS   4           HB2      CYS   4   3.420   8.620   3.946
   27    HB3  CYS   4           HB1      CYS   4   2.203   7.390   4.273
   28    H    GLY   5           HN       GLY   5   2.302  10.882   5.440
   29    HA2  GLY   5           HA2      GLY   5   0.653  11.549   7.283
   30    HA3  GLY   5           HA1      GLY   5   0.552   9.819   7.564
   31    H    GLY   6           HN       GLY   6   2.958  12.435   7.331
   32    HA2  GLY   6           HA2      GLY   6   4.870  12.833   8.536
   33    HA3  GLY   6           HA1      GLY   6   4.047  12.032   9.867
   34    H    GLY   7           HN       GLY   7   5.797  11.294   6.858
   35    HA2  GLY   7           HA2      GLY   7   7.814   9.780   7.877
   36    HA3  GLY   7           HA1      GLY   7   6.476   8.647   7.769
   37    H    PHE   8           HN       PHE   8   5.566   8.195   5.677
   38    HA   PHE   8           HA       PHE   8   7.597   8.355   3.585
   39    HB2  PHE   8           HB2      PHE   8   5.324   6.560   4.200
   40    HB3  PHE   8           HB1      PHE   8   5.678   6.816   2.496
   41    HD1  PHE   8           HD1      PHE   8   7.493   5.737   1.463
   42    HD2  PHE   8           HD2      PHE   8   7.133   5.693   5.703
   43    HE1  PHE   8           HE1      PHE   8   9.291   4.063   1.594
   44    HE2  PHE   8           HE2      PHE   8   8.932   4.020   5.842
   45    HZ   PHE   8           HZ       PHE   8  10.013   3.203   3.786
   46    H    SER   9           HN       SER   9   6.339   8.212   1.297
   47    HA   SER   9           HA       SER   9   4.161  10.038   0.997
   48    HB2  SER   9           HB2      SER   9   5.959  11.377  -0.620
   49    HB3  SER   9           HB1      SER   9   5.384  11.934   0.952
   50    HG   SER   9           HG       SER   9   7.567  10.172   0.802
   51    H    CYS  10           HN       CYS  10   3.405  10.149  -1.191
   52    HA   CYS  10           HA       CYS  10   4.719   8.316  -3.066
   53    HB2  CYS  10           HB2      CYS  10   1.973   8.099  -1.947
   54    HB3  CYS  10           HB1      CYS  10   2.176   7.734  -3.657
   55    H    HIS  11           HN       HIS  11   3.659   8.489  -5.289
   56    HA   HIS  11           HA       HIS  11   3.623  11.295  -5.987
   57    HB2  HIS  11           HB2      HIS  11   4.363   8.882  -7.284
   58    HB3  HIS  11           HB1      HIS  11   3.099   9.635  -8.253
   59    HD1  HIS  11           HD1      HIS  11   6.038  11.174  -6.381
   60    HD2  HIS  11           HD2      HIS  11   4.395  10.998 -10.194
   61    HE1  HIS  11           HE1      HIS  11   7.466  12.682  -7.798
   62    HE2  HIS  11           HE2      HIS  11   6.418  12.608 -10.087
   63    H    ASP  12           HN       ASP  12   2.065  12.035  -7.710
   64    HA   ASP  12           HA       ASP  12  -0.537  12.053  -6.698
   65    HB2  ASP  12           HB2      ASP  12   0.875  13.341  -8.779
   66    HB3  ASP  12           HB1      ASP  12  -0.559  12.631  -9.516
   67    H    GLY  13           HN       GLY  13  -2.274  10.793  -6.978
   68    HA2  GLY  13           HA2      GLY  13  -3.694   9.321  -8.159
   69    HA3  GLY  13           HA1      GLY  13  -2.351   8.914  -9.218
   70    H    GLU  14           HN       GLU  14  -0.875   8.766  -6.402
   71    HA   GLU  14           HA       GLU  14  -1.324   5.890  -6.167
   72    HB2  GLU  14           HB2      GLU  14   0.710   7.493  -4.640
   73    HB3  GLU  14           HB1      GLU  14   0.724   5.773  -4.990
   74    HG2  GLU  14           HG2      GLU  14   0.948   7.887  -7.112
   75    HG3  GLU  14           HG1      GLU  14   2.339   7.164  -6.305
   76    H    THR  15           HN       THR  15  -1.090   5.045  -3.821
   77    HA   THR  15           HA       THR  15  -2.640   6.704  -1.957
   78    HB   THR  15           HB       THR  15  -3.252   3.775  -2.286
   79    HG1  THR  15           HG1      THR  15  -3.674   4.846  -4.289
   80   HG21  THR  15          HG21      THR  15  -5.429   4.527  -1.301
   81   HG22  THR  15          HG22      THR  15  -4.718   6.127  -1.087
   82   HG23  THR  15          HG23      THR  15  -4.040   4.740  -0.235
   83    H    CYS  16           HN       CYS  16  -2.017   6.548   0.133
   84    HA   CYS  16           HA       CYS  16   0.319   4.905   0.692
   85    HB2  CYS  16           HB2      CYS  16  -1.032   7.101   2.269
   86    HB3  CYS  16           HB1      CYS  16   0.393   6.224   2.822
   87    H    CYS  17           HN       CYS  17   0.129   2.971   1.567
   88    HA   CYS  17           HA       CYS  17  -2.200   2.402   3.282
   89    HB2  CYS  17           HB2      CYS  17  -0.724   0.680   1.302
   90    HB3  CYS  17           HB1      CYS  17  -1.678  -0.037   2.597
   91    HA   PRO  18           HA       PRO  18   1.045   1.669   6.270
   92    HB2  PRO  18           HB2      PRO  18  -0.475   1.719   8.457
   93    HB3  PRO  18           HB1      PRO  18  -0.210   3.187   7.508
   94    HG2  PRO  18           HG2      PRO  18  -2.597   1.400   7.609
   95    HG3  PRO  18           HG1      PRO  18  -2.520   3.163   7.453
   96    HD2  PRO  18           HD2      PRO  18  -2.875   1.332   5.356
   97    HD3  PRO  18           HD1      PRO  18  -2.436   3.039   5.185
   98    H    THR  19           HN       THR  19   0.957  -0.592   5.075
   99    HA   THR  19           HA       THR  19  -0.443  -2.684   6.446
  100    HB   THR  19           HB       THR  19   0.063  -2.933   4.078
  101    HG1  THR  19           HG1      THR  19   0.297  -4.762   5.813
  102   HG21  THR  19          HG21      THR  19   2.898  -3.531   4.358
  103   HG22  THR  19          HG22      THR  19   2.522  -1.845   4.713
  104   HG23  THR  19          HG23      THR  19   2.065  -2.541   3.158
  105    H    SER  20           HN       SER  20   1.941  -0.853   7.539
  106    HA   SER  20           HA       SER  20   3.033  -2.998   9.201
  107    HB2  SER  20           HB2      SER  20   4.533  -1.408   7.260
  108    HB3  SER  20           HB1      SER  20   5.208  -1.313   8.887
  109    HG   SER  20           HG       SER  20   5.340  -3.563   8.916
  110    H    GLN  21           HN       GLN  21   4.860  -1.377  10.608
  111    HA   GLN  21           HA       GLN  21   2.987   0.392  12.027
  112    HB2  GLN  21           HB2      GLN  21   5.211  -1.376  12.900
  113    HB3  GLN  21           HB1      GLN  21   4.966   0.112  13.804
  114    HG2  GLN  21           HG2      GLN  21   2.461  -1.231  13.375
  115    HG3  GLN  21           HG1      GLN  21   3.632  -2.315  14.126
  116   HE21  GLN  21          HE21      GLN  21   2.560   1.062  14.384
  117   HE22  GLN  21          HE22      GLN  21   2.530   1.098  16.111
  118    H    THR  22           HN       THR  22   6.088   0.228  10.452
  119    HA   THR  22           HA       THR  22   6.348   3.140  10.772
  120    HB   THR  22           HB       THR  22   7.963   2.069  12.285
  121    HG1  THR  22           HG1      THR  22   9.895   3.031  11.198
  122   HG21  THR  22          HG21      THR  22   8.220   0.184  10.255
  123   HG22  THR  22          HG22      THR  22   9.180   0.280  11.731
  124   HG23  THR  22          HG23      THR  22   9.757   1.048  10.252
  125    H    THR  23           HN       THR  23   5.723   0.821   8.664
  126    HA   THR  23           HA       THR  23   7.305   2.053   6.503
  127    HB   THR  23           HB       THR  23   6.099  -0.660   6.170
  128    HG1  THR  23           HG1      THR  23   7.900  -0.051   8.077
  129   HG21  THR  23          HG21      THR  23   7.928  -0.980   4.652
  130   HG22  THR  23          HG22      THR  23   8.714   0.497   5.208
  131   HG23  THR  23          HG23      THR  23   7.203   0.590   4.304
  132    H    TRP  24           HN       TRP  24   6.288   2.398   4.499
  133    HA   TRP  24           HA       TRP  24   3.343   2.262   4.506
  134    HB2  TRP  24           HB2      TRP  24   5.128   4.605   3.933
  135    HB3  TRP  24           HB1      TRP  24   3.579   4.471   3.110
  136    HD1  TRP  24           HD1      TRP  24   5.117   5.316   6.464
  137    HE1  TRP  24           HE1      TRP  24   3.275   6.188   8.040
  138    HE3  TRP  24           HE3      TRP  24   1.035   4.192   3.622
  139    HZ2  TRP  24           HZ2      TRP  24   0.454   6.369   8.066
  140    HZ3  TRP  24           HZ3      TRP  24  -1.200   4.742   4.487
  141    HH2  TRP  24           HH2      TRP  24  -1.482   5.807   6.660
  142    H    GLY  25           HN       GLY  25   2.434   1.591   2.609
  143    HA2  GLY  25           HA2      GLY  25   4.308   1.013   0.403
  144    HA3  GLY  25           HA1      GLY  25   2.887   0.050   0.773
  145    H    CYS  26           HN       CYS  26   3.761   1.458  -1.703
  146    HA   CYS  26           HA       CYS  26   1.683   3.477  -2.047
  147    HB2  CYS  26           HB2      CYS  26   4.236   3.301  -3.027
  148    HB3  CYS  26           HB1      CYS  26   3.291   2.716  -4.392
  149    H    CYS  27           HN       CYS  27  -0.272   2.884  -2.685
  150    HA   CYS  27           HA       CYS  27  -0.543   0.561  -4.476
  151    HB2  CYS  27           HB2      CYS  27  -1.919   1.212  -1.924
  152    HB3  CYS  27           HB1      CYS  27  -2.895   0.489  -3.198
  153    HA   PRO  28           HA       PRO  28  -3.081   3.211  -6.964
  154    HB2  PRO  28           HB2      PRO  28  -4.532   1.457  -8.356
  155    HB3  PRO  28           HB1      PRO  28  -2.773   1.521  -8.526
  156    HG2  PRO  28           HG2      PRO  28  -4.458  -0.401  -6.978
  157    HG3  PRO  28           HG1      PRO  28  -3.013  -0.713  -7.955
  158    HD2  PRO  28           HD2      PRO  28  -3.044  -0.454  -5.194
  159    HD3  PRO  28           HD1      PRO  28  -1.612  -0.247  -6.219
  160    H    SER  29           HN       SER  29  -5.370   3.712  -7.583
  161    HA   SER  29           HA       SER  29  -7.509   4.261  -7.055
  162    HB2  SER  29           HB2      SER  29  -7.269   1.497  -6.370
  163    HB3  SER  29           HB1      SER  29  -8.273   2.286  -5.155
  164    HG   SER  29           HG       SER  29  -8.820   1.718  -7.765
  165    HA   PRO  30           HA       PRO  30  -6.690   6.717  -3.420
  166    HB2  PRO  30           HB2      PRO  30  -9.140   7.975  -3.381
  167    HB3  PRO  30           HB1      PRO  30  -7.770   8.478  -4.377
  168    HG2  PRO  30           HG2      PRO  30 -10.149   6.824  -5.121
  169    HG3  PRO  30           HG1      PRO  30  -9.350   8.114  -6.039
  170    HD2  PRO  30           HD2      PRO  30  -8.934   5.530  -6.613
  171    HD3  PRO  30           HD1      PRO  30  -7.623   6.723  -6.728
  172    H    LYS  31           HN       LYS  31 -10.054   5.504  -3.645
  173    HA   LYS  31           HA       LYS  31 -10.114   5.118  -0.773
  174    HB2  LYS  31           HB2      LYS  31 -12.272   4.415  -2.760
  175    HB3  LYS  31           HB1      LYS  31 -12.450   4.672  -1.029
  176    HG2  LYS  31           HG2      LYS  31 -11.309   6.980  -2.357
  177    HG3  LYS  31           HG1      LYS  31 -12.878   6.529  -3.026
  178    HD2  LYS  31           HD2      LYS  31 -12.863   6.410  -0.130
  179    HD3  LYS  31           HD1      LYS  31 -12.418   8.011  -0.724
  180    HE2  LYS  31           HE2      LYS  31 -14.472   8.411  -1.582
  181    HE3  LYS  31           HE1      LYS  31 -14.719   6.730  -2.052
  182    HZ1  LYS  31           HZ1      LYS  31 -15.896   7.976   0.053
  183    HZ2  LYS  31           HZ2      LYS  31 -14.652   7.099   0.791
  184    HZ3  LYS  31           HZ3      LYS  31 -15.796   6.301  -0.167
  185    H    ALA  32           HN       ALA  32  -8.426   3.421  -2.618
  186    HA   ALA  32           HA       ALA  32  -9.442   0.827  -2.840
  187    HB1  ALA  32           HB1      ALA  32  -6.560   1.480  -2.276
  188    HB2  ALA  32           HB2      ALA  32  -7.316   1.742  -3.847
  189    HB3  ALA  32           HB3      ALA  32  -7.212   0.113  -3.179
  190    H    VAL  33           HN       VAL  33  -8.803  -1.089  -1.571
  191    HA   VAL  33           HA       VAL  33  -8.693  -0.491   1.311
  192    HB   VAL  33           HB       VAL  33  -9.902  -2.895  -0.073
  193   HG11  VAL  33          HG11      VAL  33 -10.034  -3.959   1.890
  194   HG12  VAL  33          HG12      VAL  33 -10.493  -2.493   2.756
  195   HG13  VAL  33          HG13      VAL  33  -8.792  -2.832   2.435
  196   HG21  VAL  33          HG21      VAL  33 -11.615  -1.462  -0.332
  197   HG22  VAL  33          HG22      VAL  33 -10.987  -0.336   0.872
  198   HG23  VAL  33          HG23      VAL  33 -11.890  -1.761   1.384
  199    H    CYS  34           HN       CYS  34  -6.684  -0.797   2.024
  200    HA   CYS  34           HA       CYS  34  -4.810  -2.492   0.716
  201    HB2  CYS  34           HB2      CYS  34  -4.315  -1.563   3.502
  202    HB3  CYS  34           HB1      CYS  34  -3.237  -1.575   2.111
  203    H    CYS  35           HN       CYS  35  -4.880  -4.634   0.807
  204    HA   CYS  35           HA       CYS  35  -6.210  -6.150   2.767
  205    HB2  CYS  35           HB2      CYS  35  -5.153  -6.723   0.332
  206    HB3  CYS  35           HB1      CYS  35  -3.933  -7.436   1.381
  207    H    ASP  36           HN       ASP  36  -5.677  -6.398   4.795
  208    HA   ASP  36           HA       ASP  36  -2.915  -5.934   5.640
  209    HB2  ASP  36           HB2      ASP  36  -4.138  -6.004   7.972
  210    HB3  ASP  36           HB1      ASP  36  -4.214  -4.571   6.952
  211    H    ASP  37           HN       ASP  37  -4.953  -8.594   5.042
  212    HA   ASP  37           HA       ASP  37  -4.354 -10.314   7.146
  213    HB2  ASP  37           HB2      ASP  37  -5.988 -10.760   5.293
  214    HB3  ASP  37           HB1      ASP  37  -4.622 -11.081   4.230
  215    H    MET  38           HN       MET  38  -2.590  -9.553   4.205
  216    HA   MET  38           HA       MET  38  -0.173 -10.702   5.405
  217    HB2  MET  38           HB2      MET  38  -1.068 -11.048   2.535
  218    HB3  MET  38           HB1      MET  38   0.513 -11.508   3.153
  219    HG2  MET  38           HG2      MET  38  -1.636 -12.647   4.721
  220    HG3  MET  38           HG1      MET  38  -1.741 -13.098   3.021
  221    HE1  MET  38           HE1      MET  38  -0.148 -15.745   2.494
  222    HE2  MET  38           HE2      MET  38   1.286 -14.802   2.088
  223    HE3  MET  38           HE3      MET  38  -0.319 -14.162   1.737
  224    H    GLN  39           HN       GLN  39  -0.354  -9.419   2.152
  225    HA   GLN  39           HA       GLN  39   0.395  -6.755   2.941
  226    HB2  GLN  39           HB2      GLN  39   2.520  -8.248   2.963
  227    HB3  GLN  39           HB1      GLN  39   2.373  -8.216   1.211
  228    HG2  GLN  39           HG2      GLN  39   2.153  -5.558   2.263
  229    HG3  GLN  39           HG1      GLN  39   3.617  -6.335   2.865
  230   HE21  GLN  39          HE21      GLN  39   2.963  -4.192   0.794
  231   HE22  GLN  39          HE22      GLN  39   3.888  -4.663  -0.587
  232    H    HIS  40           HN       HIS  40  -1.603  -6.385   1.746
  233    HA   HIS  40           HA       HIS  40  -1.036  -6.017  -1.082
  234    HB2  HIS  40           HB2      HIS  40  -2.140  -8.409  -0.425
  235    HB3  HIS  40           HB1      HIS  40  -3.581  -7.450  -0.743
  236    HD1  HIS  40           HD1      HIS  40  -4.085  -6.850  -3.160
  237    HD2  HIS  40           HD2      HIS  40  -0.429  -8.764  -2.674
  238    HE1  HIS  40           HE1      HIS  40  -3.307  -7.413  -5.484
  239    HE2  HIS  40           HE2      HIS  40  -1.052  -8.492  -5.169
  240    H    CYS  41           HN       CYS  41  -3.354  -5.506  -2.176
  241    HA   CYS  41           HA       CYS  41  -5.141  -3.900  -0.654
  242    HB2  CYS  41           HB2      CYS  41  -4.581  -1.731  -1.659
  243    HB3  CYS  41           HB1      CYS  41  -3.239  -2.348  -0.701
  244    H    CYS  42           HN       CYS  42  -6.891  -3.097  -1.971
  245    HA   CYS  42           HA       CYS  42  -6.877  -4.025  -4.752
  246    HB2  CYS  42           HB2      CYS  42  -9.016  -4.669  -2.715
  247    HB3  CYS  42           HB1      CYS  42  -9.161  -4.962  -4.446
  248    HA   PRO  43           HA       PRO  43  -8.699  -0.190  -5.847
  249    HB2  PRO  43           HB2      PRO  43 -10.623  -1.771  -7.483
  250    HB3  PRO  43           HB1      PRO  43  -9.569  -0.433  -7.959
  251    HG2  PRO  43           HG2      PRO  43  -8.932  -2.907  -8.640
  252    HG3  PRO  43           HG1      PRO  43  -7.680  -1.789  -8.060
  253    HD2  PRO  43           HD2      PRO  43  -9.053  -4.015  -6.596
  254    HD3  PRO  43           HD1      PRO  43  -7.337  -3.551  -6.587
  255    H    ALA  44           HN       ALA  44 -10.148   1.113  -5.024
  256    HA   ALA  44           HA       ALA  44 -11.862   0.593  -3.007
  257    HB1  ALA  44           HB1      ALA  44 -12.906   2.620  -4.864
  258    HB2  ALA  44           HB2      ALA  44 -11.216   2.818  -4.399
  259    HB3  ALA  44           HB3      ALA  44 -12.470   2.754  -3.160
  260    H    GLY  45           HN       GLY  45 -13.490  -0.783  -2.829
  261    HA2  GLY  45           HA2      GLY  45 -15.876  -1.044  -3.466
  262    HA3  GLY  45           HA1      GLY  45 -15.320  -1.063  -5.131
  263    H    TYR  46           HN       TYR  46 -12.934  -2.743  -3.827
  264    HA   TYR  46           HA       TYR  46 -14.396  -5.281  -4.127
  265    HB2  TYR  46           HB2      TYR  46 -11.455  -4.684  -4.506
  266    HB3  TYR  46           HB1      TYR  46 -12.192  -6.273  -4.673
  267    HD1  TYR  46           HD1      TYR  46 -10.759  -4.007  -6.603
  268    HD2  TYR  46           HD2      TYR  46 -14.608  -5.772  -6.192
  269    HE1  TYR  46           HE1      TYR  46 -11.221  -3.538  -8.972
  270    HE2  TYR  46           HE2      TYR  46 -15.080  -5.308  -8.560
  271    HH   TYR  46           HH       TYR  46 -12.619  -4.151 -10.732
  272    H    LYS  47           HN       LYS  47 -13.411  -7.143  -2.899
  273    HA   LYS  47           HA       LYS  47 -12.448  -6.308  -0.248
  274    HB2  LYS  47           HB2      LYS  47 -14.865  -6.786  -0.127
  275    HB3  LYS  47           HB1      LYS  47 -14.577  -8.389  -0.789
  276    HG2  LYS  47           HG2      LYS  47 -12.879  -8.157   1.428
  277    HG3  LYS  47           HG1      LYS  47 -14.436  -7.491   1.927
  278    HD2  LYS  47           HD2      LYS  47 -14.248 -10.117   0.484
  279    HD3  LYS  47           HD1      LYS  47 -14.039 -10.013   2.233
  280    HE2  LYS  47           HE2      LYS  47 -16.239  -9.023   2.466
  281    HE3  LYS  47           HE1      LYS  47 -16.446  -9.013   0.715
  282    HZ1  LYS  47           HZ1      LYS  47 -15.820 -11.614   1.401
  283    HZ2  LYS  47           HZ2      LYS  47 -17.325 -11.022   0.907
  284    HZ3  LYS  47           HZ3      LYS  47 -16.949 -11.104   2.554
  285    H    CYS  48           HN       CYS  48 -11.194  -7.888   0.876
  286    HA   CYS  48           HA       CYS  48  -9.690  -9.590  -0.921
  287    HB2  CYS  48           HB2      CYS  48  -9.332  -8.532   1.828
  288    HB3  CYS  48           HB1      CYS  48  -8.558 -10.072   1.469
  289    H    GLY  49           HN       GLY  49 -10.039 -11.690  -1.222
  290    HA2  GLY  49           HA2      GLY  49 -11.759 -13.097   0.718
  291    HA3  GLY  49           HA1      GLY  49 -11.629 -13.502  -0.986
  292    HA   PRO  50           HA       PRO  50  -8.676 -16.106   1.652
  293    HB2  PRO  50           HB2      PRO  50 -10.383 -18.401   1.105
  294    HB3  PRO  50           HB1      PRO  50  -9.853 -17.756   2.659
  295    HG2  PRO  50           HG2      PRO  50 -12.425 -17.618   1.804
  296    HG3  PRO  50           HG1      PRO  50 -11.697 -16.411   2.879
  297    HD2  PRO  50           HD2      PRO  50 -12.178 -16.277  -0.075
  298    HD3  PRO  50           HD1      PRO  50 -12.400 -15.020   1.161
  299    H    GLY  51           HN       GLY  51  -9.950 -16.000  -1.460
  300    HA2  GLY  51           HA2      GLY  51  -8.445 -18.248  -2.508
  301    HA3  GLY  51           HA1      GLY  51  -9.431 -17.129  -3.436
  302    H    GLY  52           HN       GLY  52  -7.263 -15.621  -1.299
  303    HA2  GLY  52           HA2      GLY  52  -5.201 -14.618  -1.584
  304    HA3  GLY  52           HA1      GLY  52  -4.974 -15.590  -3.030
  305    H    THR  53           HN       THR  53  -7.741 -14.444  -3.858
  306    HA   THR  53           HA       THR  53  -6.651 -11.946  -4.972
  307    HB   THR  53           HB       THR  53  -8.353 -12.232  -6.781
  308    HG1  THR  53           HG1      THR  53  -9.512 -13.869  -5.280
  309   HG21  THR  53          HG21      THR  53  -6.768 -13.249  -7.985
  310   HG22  THR  53          HG22      THR  53  -6.946 -14.750  -7.076
  311   HG23  THR  53          HG23      THR  53  -5.885 -13.475  -6.476
  312    H    CYS  54           HN       CYS  54  -8.723 -10.569  -5.791
  313    HA   CYS  54           HA       CYS  54 -10.334 -10.166  -3.364
  314    HB2  CYS  54           HB2      CYS  54  -8.955  -8.336  -5.186
  315    HB3  CYS  54           HB1      CYS  54 -10.612  -7.858  -4.833
  316    H    ILE  55           HN       ILE  55 -12.526  -9.690  -3.525
  317    HA   ILE  55           HA       ILE  55 -13.787 -10.455  -6.076
  318    HB   ILE  55           HB       ILE  55 -15.701 -11.271  -4.732
  319   HG12  ILE  55          HG12      ILE  55 -13.879 -10.965  -2.339
  320   HG13  ILE  55          HG11      ILE  55 -15.144  -9.808  -2.739
  321   HG21  ILE  55          HG21      ILE  55 -14.795 -13.314  -4.697
  322   HG22  ILE  55          HG22      ILE  55 -13.562 -12.843  -3.528
  323   HG23  ILE  55          HG23      ILE  55 -13.316 -12.526  -5.245
  324   HD11  ILE  55          HD11      ILE  55 -16.267 -11.099  -1.255
  325   HD12  ILE  55          HD12      ILE  55 -15.353 -12.554  -1.655
  326   HD13  ILE  55          HD13      ILE  55 -16.632 -11.992  -2.732
  327    H    SER  56           HN       SER  56 -16.324  -9.754  -5.752
  328    HA   SER  56           HA       SER  56 -16.387  -6.978  -4.817
  329    HB2  SER  56           HB2      SER  56 -16.996  -6.064  -6.832
  330    HB3  SER  56           HB1      SER  56 -15.994  -7.387  -7.427
  331    HG   SER  56           HG       SER  56 -18.572  -6.939  -7.887
  Start of MODEL    2
    1    H1   ASP   1           HT1      ASP   1   4.843  16.966  -2.254
    2    H2   ASP   1           HT2      ASP   1   4.198  17.371  -3.765
    3    H3   ASP   1           HT3      ASP   1   5.684  16.567  -3.667
    4    HA   ASP   1           HA       ASP   1   3.504  15.276  -4.228
    5    HB2  ASP   1           HB2      ASP   1   5.960  14.599  -2.717
    6    HB3  ASP   1           HB1      ASP   1   4.671  13.401  -2.654
    7    H    VAL   2           HN       VAL   2   2.788  13.272  -2.553
    8    HA   VAL   2           HA       VAL   2   1.154  14.682  -0.562
    9    HB   VAL   2           HB       VAL   2   0.688  11.833  -1.375
   10   HG11  VAL   2          HG11      VAL   2  -0.809  12.288   0.272
   11   HG12  VAL   2          HG12      VAL   2  -1.735  12.908  -1.096
   12   HG13  VAL   2          HG13      VAL   2  -0.829  14.018  -0.069
   13   HG21  VAL   2          HG21      VAL   2  -1.029  13.156  -2.991
   14   HG22  VAL   2          HG22      VAL   2   0.535  12.530  -3.514
   15   HG23  VAL   2          HG23      VAL   2   0.372  14.226  -3.062
   16    H    GLN   3           HN       GLN   3   1.460  14.371   1.557
   17    HA   GLN   3           HA       GLN   3   3.552  12.556   2.414
   18    HB2  GLN   3           HB2      GLN   3   2.405  13.671   4.701
   19    HB3  GLN   3           HB1      GLN   3   3.875  14.196   3.895
   20    HG2  GLN   3           HG2      GLN   3   1.274  15.215   2.889
   21    HG3  GLN   3           HG1      GLN   3   1.903  15.857   4.406
   22   HE21  GLN   3          HE21      GLN   3   2.161  15.841   1.000
   23   HE22  GLN   3          HE22      GLN   3   3.458  16.975   0.862
   24    H    CYS   4           HN       CYS   4   3.145  10.520   2.874
   25    HA   CYS   4           HA       CYS   4   0.654   9.332   3.031
   26    HB2  CYS   4           HB2      CYS   4   3.336   8.465   4.100
   27    HB3  CYS   4           HB1      CYS   4   1.908   7.438   4.188
   28    H    GLY   5           HN       GLY   5   2.746   9.172   5.874
   29    HA2  GLY   5           HA2      GLY   5   0.833  10.518   7.561
   30    HA3  GLY   5           HA1      GLY   5   0.860   8.774   7.782
   31    H    GLY   6           HN       GLY   6   3.091   7.826   8.166
   32    HA2  GLY   6           HA2      GLY   6   4.239   9.144  10.409
   33    HA3  GLY   6           HA1      GLY   6   4.835   7.674   9.651
   34    H    GLY   7           HN       GLY   7   5.878   8.106   7.408
   35    HA2  GLY   7           HA2      GLY   7   7.196  10.689   7.227
   36    HA3  GLY   7           HA1      GLY   7   8.244   9.337   7.619
   37    H    PHE   8           HN       PHE   8   5.755   8.222   5.659
   38    HA   PHE   8           HA       PHE   8   7.574   8.173   3.380
   39    HB2  PHE   8           HB2      PHE   8   5.179   6.603   4.208
   40    HB3  PHE   8           HB1      PHE   8   5.548   6.703   2.489
   41    HD1  PHE   8           HD1      PHE   8   6.820   5.016   1.616
   42    HD2  PHE   8           HD2      PHE   8   7.362   6.088   5.699
   43    HE1  PHE   8           HE1      PHE   8   8.475   3.215   1.865
   44    HE2  PHE   8           HE2      PHE   8   9.020   4.290   5.955
   45    HZ   PHE   8           HZ       PHE   8   9.580   2.849   4.037
   46    H    SER   9           HN       SER   9   6.166   8.116   1.192
   47    HA   SER   9           HA       SER   9   4.065  10.042   1.028
   48    HB2  SER   9           HB2      SER   9   5.561  11.522  -0.558
   49    HB3  SER   9           HB1      SER   9   5.582  11.787   1.186
   50    HG   SER   9           HG       SER   9   7.642  11.335  -0.284
   51    H    CYS  10           HN       CYS  10   3.246  10.286  -1.139
   52    HA   CYS  10           HA       CYS  10   4.367   8.440  -3.115
   53    HB2  CYS  10           HB2      CYS  10   1.655   8.328  -1.884
   54    HB3  CYS  10           HB1      CYS  10   1.804   7.952  -3.596
   55    H    HIS  11           HN       HIS  11   2.982   8.688  -5.232
   56    HA   HIS  11           HA       HIS  11   3.153  11.490  -5.926
   57    HB2  HIS  11           HB2      HIS  11   2.307   9.279  -7.784
   58    HB3  HIS  11           HB1      HIS  11   3.096  10.804  -8.181
   59    HD1  HIS  11           HD1      HIS  11   3.871   7.419  -8.171
   60    HD2  HIS  11           HD2      HIS  11   5.813  10.756  -6.635
   61    HE1  HIS  11           HE1      HIS  11   6.278   6.738  -7.915
   62    HE2  HIS  11           HE2      HIS  11   7.414   8.742  -6.895
   63    H    ASP  12           HN       ASP  12   1.474  12.495  -7.306
   64    HA   ASP  12           HA       ASP  12  -0.981  12.643  -5.987
   65    HB2  ASP  12           HB2      ASP  12   0.056  13.622  -8.611
   66    HB3  ASP  12           HB1      ASP  12  -1.679  13.690  -8.325
   67    H    GLY  13           HN       GLY  13  -2.869  11.579  -6.168
   68    HA2  GLY  13           HA2      GLY  13  -4.526  10.303  -7.253
   69    HA3  GLY  13           HA1      GLY  13  -3.356   9.879  -8.495
   70    H    GLU  14           HN       GLU  14  -1.597   9.404  -5.879
   71    HA   GLU  14           HA       GLU  14  -2.227   6.553  -5.797
   72    HB2  GLU  14           HB2      GLU  14   0.067   7.988  -4.467
   73    HB3  GLU  14           HB1      GLU  14  -0.080   6.261  -4.754
   74    HG2  GLU  14           HG2      GLU  14  -0.030   8.221  -7.017
   75    HG3  GLU  14           HG1      GLU  14   1.456   7.629  -6.272
   76    H    THR  15           HN       THR  15  -1.959   5.475  -3.594
   77    HA   THR  15           HA       THR  15  -3.122   7.136  -1.461
   78    HB   THR  15           HB       THR  15  -4.011   4.326  -2.140
   79    HG1  THR  15           HG1      THR  15  -6.024   5.490  -2.599
   80   HG21  THR  15          HG21      THR  15  -5.587   4.525  -0.375
   81   HG22  THR  15          HG22      THR  15  -5.223   6.236  -0.149
   82   HG23  THR  15          HG23      THR  15  -4.032   5.015   0.296
   83    H    CYS  16           HN       CYS  16  -2.227   6.871   0.501
   84    HA   CYS  16           HA       CYS  16  -0.037   4.961   0.739
   85    HB2  CYS  16           HB2      CYS  16  -0.902   7.236   2.534
   86    HB3  CYS  16           HB1      CYS  16   0.493   6.201   2.835
   87    H    CYS  17           HN       CYS  17  -0.272   3.078   1.725
   88    HA   CYS  17           HA       CYS  17  -2.439   2.787   3.699
   89    HB2  CYS  17           HB2      CYS  17  -1.687   1.039   1.393
   90    HB3  CYS  17           HB1      CYS  17  -2.354   0.296   2.843
   91    HA   PRO  18           HA       PRO  18   1.058   1.442   6.148
   92    HB2  PRO  18           HB2      PRO  18  -0.157   1.430   8.528
   93    HB3  PRO  18           HB1      PRO  18   0.194   2.950   7.692
   94    HG2  PRO  18           HG2      PRO  18  -2.385   1.442   7.878
   95    HG3  PRO  18           HG1      PRO  18  -2.097   3.186   8.005
   96    HD2  PRO  18           HD2      PRO  18  -2.972   1.912   5.721
   97    HD3  PRO  18           HD1      PRO  18  -2.124   3.471   5.738
   98    H    THR  19           HN       THR  19   1.006  -0.655   5.031
   99    HA   THR  19           HA       THR  19  -0.643  -2.740   6.196
  100    HB   THR  19           HB       THR  19   0.078  -4.152   4.469
  101    HG1  THR  19           HG1      THR  19   1.962  -3.547   3.171
  102   HG21  THR  19          HG21      THR  19   0.409  -2.156   2.539
  103   HG22  THR  19          HG22      THR  19  -0.600  -1.430   3.792
  104   HG23  THR  19          HG23      THR  19  -1.100  -2.934   3.018
  105    H    SER  20           HN       SER  20   2.030  -1.251   7.227
  106    HA   SER  20           HA       SER  20   2.898  -3.580   8.741
  107    HB2  SER  20           HB2      SER  20   4.345  -3.298   6.627
  108    HB3  SER  20           HB1      SER  20   4.991  -1.863   7.420
  109    HG   SER  20           HG       SER  20   6.141  -3.923   7.767
  110    H    GLN  21           HN       GLN  21   4.986  -2.588  10.112
  111    HA   GLN  21           HA       GLN  21   3.747  -0.818  11.944
  112    HB2  GLN  21           HB2      GLN  21   6.016  -2.498  11.911
  113    HB3  GLN  21           HB1      GLN  21   6.596  -0.884  12.302
  114    HG2  GLN  21           HG2      GLN  21   4.323  -2.236  13.733
  115    HG3  GLN  21           HG1      GLN  21   6.003  -2.303  14.265
  116   HE21  GLN  21          HE21      GLN  21   6.935   0.158  13.967
  117   HE22  GLN  21          HE22      GLN  21   6.037   1.298  14.904
  118    H    THR  22           HN       THR  22   6.920  -0.260  10.432
  119    HA   THR  22           HA       THR  22   6.211   2.588  10.229
  120    HB   THR  22           HB       THR  22   8.133   2.113  11.686
  121    HG1  THR  22           HG1      THR  22   7.995   4.013  10.166
  122   HG21  THR  22          HG21      THR  22  10.158   1.157  10.882
  123   HG22  THR  22          HG22      THR  22   9.576   1.160   9.217
  124   HG23  THR  22          HG23      THR  22   8.859   0.066  10.399
  125    H    THR  23           HN       THR  23   5.641   0.400   8.261
  126    HA   THR  23           HA       THR  23   7.175   1.443   5.972
  127    HB   THR  23           HB       THR  23   5.553  -1.045   5.714
  128    HG1  THR  23           HG1      THR  23   7.605  -2.130   6.456
  129   HG21  THR  23          HG21      THR  23   6.623  -1.020   3.759
  130   HG22  THR  23          HG22      THR  23   8.130  -1.303   4.629
  131   HG23  THR  23          HG23      THR  23   7.615   0.345   4.270
  132    H    TRP  24           HN       TRP  24   5.986   1.655   3.928
  133    HA   TRP  24           HA       TRP  24   3.099   2.028   4.236
  134    HB2  TRP  24           HB2      TRP  24   5.098   4.141   3.516
  135    HB3  TRP  24           HB1      TRP  24   3.466   4.219   2.862
  136    HD1  TRP  24           HD1      TRP  24   5.428   4.765   6.051
  137    HE1  TRP  24           HE1      TRP  24   3.873   5.767   7.841
  138    HE3  TRP  24           HE3      TRP  24   0.977   4.224   3.631
  139    HZ2  TRP  24           HZ2      TRP  24   1.112   6.260   8.176
  140    HZ3  TRP  24           HZ3      TRP  24  -1.079   4.980   4.747
  141    HH2  TRP  24           HH2      TRP  24  -1.009   5.976   6.970
  142    H    GLY  25           HN       GLY  25   1.975   1.318   2.546
  143    HA2  GLY  25           HA2      GLY  25   3.466   0.579   0.119
  144    HA3  GLY  25           HA1      GLY  25   1.945  -0.134   0.634
  145    H    CYS  26           HN       CYS  26   2.917   1.313  -1.862
  146    HA   CYS  26           HA       CYS  26   0.995   3.520  -1.933
  147    HB2  CYS  26           HB2      CYS  26   3.520   3.498  -2.804
  148    HB3  CYS  26           HB1      CYS  26   2.734   2.914  -4.267
  149    H    CYS  27           HN       CYS  27  -0.944   3.231  -2.768
  150    HA   CYS  27           HA       CYS  27  -1.358   1.022  -4.670
  151    HB2  CYS  27           HB2      CYS  27  -2.616   1.367  -2.289
  152    HB3  CYS  27           HB1      CYS  27  -3.717   2.229  -3.357
  153    HA   PRO  28           HA       PRO  28  -2.275   4.150  -7.677
  154    HB2  PRO  28           HB2      PRO  28  -3.388   2.608  -9.588
  155    HB3  PRO  28           HB1      PRO  28  -1.658   2.560  -9.226
  156    HG2  PRO  28           HG2      PRO  28  -3.831   0.698  -8.342
  157    HG3  PRO  28           HG1      PRO  28  -2.204   0.316  -8.937
  158    HD2  PRO  28           HD2      PRO  28  -2.850   0.336  -6.294
  159    HD3  PRO  28           HD1      PRO  28  -1.227   0.724  -6.897
  160    H    SER  29           HN       SER  29  -4.723   2.155  -6.242
  161    HA   SER  29           HA       SER  29  -6.887   3.701  -7.441
  162    HB2  SER  29           HB2      SER  29  -6.636   1.064  -6.342
  163    HB3  SER  29           HB1      SER  29  -7.896   1.933  -5.467
  164    HG   SER  29           HG       SER  29  -7.760   1.857  -8.294
  165    HA   PRO  30           HA       PRO  30  -7.160   6.510  -4.032
  166    HB2  PRO  30           HB2      PRO  30  -9.749   7.300  -4.312
  167    HB3  PRO  30           HB1      PRO  30  -8.445   7.859  -5.364
  168    HG2  PRO  30           HG2      PRO  30 -10.485   5.728  -5.842
  169    HG3  PRO  30           HG1      PRO  30  -9.866   6.958  -6.959
  170    HD2  PRO  30           HD2      PRO  30  -9.020   4.381  -6.996
  171    HD3  PRO  30           HD1      PRO  30  -7.976   5.742  -7.451
  172    H    LYS  31           HN       LYS  31 -10.408   5.091  -4.232
  173    HA   LYS  31           HA       LYS  31 -10.540   4.787  -1.390
  174    HB2  LYS  31           HB2      LYS  31 -12.499   3.476  -3.233
  175    HB3  LYS  31           HB1      LYS  31 -12.776   4.237  -1.674
  176    HG2  LYS  31           HG2      LYS  31 -13.561   5.970  -2.818
  177    HG3  LYS  31           HG1      LYS  31 -11.883   6.320  -3.237
  178    HD2  LYS  31           HD2      LYS  31 -12.285   5.884  -5.381
  179    HD3  LYS  31           HD1      LYS  31 -12.902   4.282  -4.973
  180    HE2  LYS  31           HE2      LYS  31 -14.968   5.908  -4.216
  181    HE3  LYS  31           HE1      LYS  31 -14.339   6.744  -5.636
  182    HZ1  LYS  31           HZ1      LYS  31 -15.890   4.377  -5.502
  183    HZ2  LYS  31           HZ2      LYS  31 -14.433   4.066  -6.303
  184    HZ3  LYS  31           HZ3      LYS  31 -15.458   5.293  -6.857
  185    H    ALA  32           HN       ALA  32  -8.465   3.211  -2.829
  186    HA   ALA  32           HA       ALA  32  -9.187   0.469  -2.834
  187    HB1  ALA  32           HB1      ALA  32  -6.559   1.918  -2.779
  188    HB2  ALA  32           HB2      ALA  32  -7.289   0.993  -4.091
  189    HB3  ALA  32           HB3      ALA  32  -6.644   0.159  -2.677
  190    H    VAL  33           HN       VAL  33  -9.215  -1.023  -1.235
  191    HA   VAL  33           HA       VAL  33  -8.960  -0.084   1.496
  192    HB   VAL  33           HB       VAL  33  -9.620  -2.872   0.538
  193   HG11  VAL  33          HG11      VAL  33 -10.696  -1.868   3.078
  194   HG12  VAL  33          HG12      VAL  33  -8.945  -2.081   3.043
  195   HG13  VAL  33          HG13      VAL  33 -10.007  -3.441   2.677
  196   HG21  VAL  33          HG21      VAL  33 -11.857  -2.331   0.425
  197   HG22  VAL  33          HG22      VAL  33 -11.115  -0.860  -0.203
  198   HG23  VAL  33          HG23      VAL  33 -11.679  -0.920   1.466
  199    H    CYS  34           HN       CYS  34  -7.249  -0.393   2.803
  200    HA   CYS  34           HA       CYS  34  -4.883  -1.612   1.738
  201    HB2  CYS  34           HB2      CYS  34  -5.163  -0.814   4.612
  202    HB3  CYS  34           HB1      CYS  34  -3.750  -0.733   3.570
  203    H    CYS  35           HN       CYS  35  -5.361  -3.804   1.455
  204    HA   CYS  35           HA       CYS  35  -6.482  -5.545   3.301
  205    HB2  CYS  35           HB2      CYS  35  -5.641  -5.901   0.821
  206    HB3  CYS  35           HB1      CYS  35  -4.183  -6.473   1.623
  207    H    ASP  36           HN       ASP  36  -5.900  -5.659   5.356
  208    HA   ASP  36           HA       ASP  36  -3.087  -5.449   6.095
  209    HB2  ASP  36           HB2      ASP  36  -3.816  -4.983   8.308
  210    HB3  ASP  36           HB1      ASP  36  -4.870  -4.072   7.231
  211    H    ASP  37           HN       ASP  37  -5.387  -7.923   5.568
  212    HA   ASP  37           HA       ASP  37  -4.813  -9.768   7.556
  213    HB2  ASP  37           HB2      ASP  37  -6.354  -9.822   5.335
  214    HB3  ASP  37           HB1      ASP  37  -5.015 -10.828   4.791
  215    H    MET  38           HN       MET  38  -3.082  -8.971   4.615
  216    HA   MET  38           HA       MET  38  -0.767 -10.491   5.608
  217    HB2  MET  38           HB2      MET  38  -1.427 -10.012   2.695
  218    HB3  MET  38           HB1      MET  38  -0.134 -11.015   3.340
  219    HG2  MET  38           HG2      MET  38  -1.615 -12.672   4.053
  220    HG3  MET  38           HG1      MET  38  -3.011 -11.603   3.926
  221    HE1  MET  38           HE1      MET  38  -3.778 -11.436   0.193
  222    HE2  MET  38           HE2      MET  38  -3.369 -10.340   1.513
  223    HE3  MET  38           HE3      MET  38  -4.583 -11.596   1.754
  224    H    GLN  39           HN       GLN  39  -0.508  -8.632   2.702
  225    HA   GLN  39           HA       GLN  39   0.181  -6.175   3.991
  226    HB2  GLN  39           HB2      GLN  39   2.295  -8.075   3.134
  227    HB3  GLN  39           HB1      GLN  39   2.531  -6.391   2.691
  228    HG2  GLN  39           HG2      GLN  39   2.280  -5.758   5.056
  229    HG3  GLN  39           HG1      GLN  39   2.124  -7.464   5.473
  230   HE21  GLN  39          HE21      GLN  39   3.917  -8.741   5.545
  231   HE22  GLN  39          HE22      GLN  39   5.526  -8.137   5.375
  232    H    HIS  40           HN       HIS  40  -1.601  -5.619   2.465
  233    HA   HIS  40           HA       HIS  40  -0.541  -4.607   0.014
  234    HB2  HIS  40           HB2      HIS  40  -1.209  -7.286  -0.120
  235    HB3  HIS  40           HB1      HIS  40  -2.622  -6.481  -0.793
  236    HD1  HIS  40           HD1      HIS  40  -2.440  -5.653  -3.150
  237    HD2  HIS  40           HD2      HIS  40   1.249  -6.674  -1.536
  238    HE1  HIS  40           HE1      HIS  40  -0.813  -5.527  -5.062
  239    HE2  HIS  40           HE2      HIS  40   1.389  -6.265  -4.085
  240    H    CYS  41           HN       CYS  41  -2.608  -4.307  -1.589
  241    HA   CYS  41           HA       CYS  41  -4.843  -3.225  -0.038
  242    HB2  CYS  41           HB2      CYS  41  -4.793  -1.151  -1.433
  243    HB3  CYS  41           HB1      CYS  41  -3.413  -1.309  -0.352
  244    H    CYS  42           HN       CYS  42  -6.808  -3.264  -1.097
  245    HA   CYS  42           HA       CYS  42  -6.825  -4.606  -3.711
  246    HB2  CYS  42           HB2      CYS  42  -8.505  -4.895  -1.278
  247    HB3  CYS  42           HB1      CYS  42  -9.330  -5.031  -2.828
  248    HA   PRO  43           HA       PRO  43  -8.576  -1.199  -5.865
  249    HB2  PRO  43           HB2      PRO  43 -10.710  -3.171  -6.593
  250    HB3  PRO  43           HB1      PRO  43  -9.837  -2.028  -7.624
  251    HG2  PRO  43           HG2      PRO  43  -9.146  -4.584  -7.607
  252    HG3  PRO  43           HG1      PRO  43  -7.903  -3.317  -7.638
  253    HD2  PRO  43           HD2      PRO  43  -8.755  -5.079  -5.395
  254    HD3  PRO  43           HD1      PRO  43  -7.157  -4.396  -5.754
  255    H    ALA  44           HN       ALA  44 -10.155   0.317  -5.734
  256    HA   ALA  44           HA       ALA  44 -11.488   0.721  -3.363
  257    HB1  ALA  44           HB1      ALA  44 -12.385   1.804  -6.027
  258    HB2  ALA  44           HB2      ALA  44 -11.020   2.437  -5.107
  259    HB3  ALA  44           HB3      ALA  44 -12.648   2.517  -4.436
  260    H    GLY  45           HN       GLY  45 -13.236  -0.115  -2.451
  261    HA2  GLY  45           HA2      GLY  45 -15.364  -0.978  -2.242
  262    HA3  GLY  45           HA1      GLY  45 -15.547  -0.854  -3.982
  263    H    TYR  46           HN       TYR  46 -12.754  -2.609  -2.916
  264    HA   TYR  46           HA       TYR  46 -14.211  -5.126  -3.393
  265    HB2  TYR  46           HB2      TYR  46 -11.474  -4.277  -4.326
  266    HB3  TYR  46           HB1      TYR  46 -11.944  -5.971  -4.245
  267    HD1  TYR  46           HD1      TYR  46 -13.197  -6.953  -5.975
  268    HD2  TYR  46           HD2      TYR  46 -12.841  -2.718  -5.795
  269    HE1  TYR  46           HE1      TYR  46 -14.233  -6.777  -8.199
  270    HE2  TYR  46           HE2      TYR  46 -13.875  -2.529  -8.016
  271    HH   TYR  46           HH       TYR  46 -14.660  -5.389  -9.930
  272    H    LYS  47           HN       LYS  47 -13.147  -7.043  -2.394
  273    HA   LYS  47           HA       LYS  47 -11.646  -6.353   0.038
  274    HB2  LYS  47           HB2      LYS  47 -13.020  -7.696   1.416
  275    HB3  LYS  47           HB1      LYS  47 -14.121  -6.715   0.458
  276    HG2  LYS  47           HG2      LYS  47 -15.175  -8.600  -0.044
  277    HG3  LYS  47           HG1      LYS  47 -13.787  -9.006  -1.056
  278    HD2  LYS  47           HD2      LYS  47 -12.994 -10.533   0.416
  279    HD3  LYS  47           HD1      LYS  47 -13.503  -9.593   1.821
  280    HE2  LYS  47           HE2      LYS  47 -15.906 -10.285   0.843
  281    HE3  LYS  47           HE1      LYS  47 -14.953 -11.659   0.285
  282    HZ1  LYS  47           HZ1      LYS  47 -14.376 -12.226   2.467
  283    HZ2  LYS  47           HZ2      LYS  47 -16.025 -11.858   2.549
  284    HZ3  LYS  47           HZ3      LYS  47 -14.881 -10.737   3.096
  285    H    CYS  48           HN       CYS  48 -10.456  -8.131   0.981
  286    HA   CYS  48           HA       CYS  48  -9.315  -9.836  -1.068
  287    HB2  CYS  48           HB2      CYS  48  -8.494  -9.894   1.818
  288    HB3  CYS  48           HB1      CYS  48  -7.516 -10.177   0.382
  289    H    GLY  49           HN       GLY  49  -9.963 -11.850  -1.444
  290    HA2  GLY  49           HA2      GLY  49 -11.280 -13.319   0.757
  291    HA3  GLY  49           HA1      GLY  49 -11.810 -13.429  -0.915
  292    HA   PRO  50           HA       PRO  50  -8.916 -17.013   0.221
  293    HB2  PRO  50           HB2      PRO  50 -10.973 -18.355  -1.460
  294    HB3  PRO  50           HB1      PRO  50 -10.198 -18.911   0.028
  295    HG2  PRO  50           HG2      PRO  50 -12.708 -18.028   0.058
  296    HG3  PRO  50           HG1      PRO  50 -11.593 -17.647   1.384
  297    HD2  PRO  50           HD2      PRO  50 -12.534 -15.914  -0.862
  298    HD3  PRO  50           HD1      PRO  50 -12.214 -15.492   0.833
  299    H    GLY  51           HN       GLY  51  -7.187 -17.235  -1.038
  300    HA2  GLY  51           HA2      GLY  51  -6.315 -18.070  -3.169
  301    HA3  GLY  51           HA1      GLY  51  -7.558 -17.119  -3.966
  302    H    GLY  52           HN       GLY  52  -6.973 -14.927  -1.915
  303    HA2  GLY  52           HA2      GLY  52  -5.360 -13.262  -1.565
  304    HA3  GLY  52           HA1      GLY  52  -4.311 -14.065  -2.722
  305    H    THR  53           HN       THR  53  -7.649 -13.334  -3.440
  306    HA   THR  53           HA       THR  53  -6.742 -11.212  -5.276
  307    HB   THR  53           HB       THR  53  -7.876 -12.082  -7.019
  308    HG1  THR  53           HG1      THR  53  -9.932 -11.696  -6.217
  309   HG21  THR  53          HG21      THR  53  -6.597 -14.026  -6.014
  310   HG22  THR  53          HG22      THR  53  -7.913 -14.452  -7.109
  311   HG23  THR  53          HG23      THR  53  -8.138 -14.585  -5.364
  312    H    CYS  54           HN       CYS  54  -8.637  -9.783  -5.973
  313    HA   CYS  54           HA       CYS  54 -10.177  -9.096  -3.565
  314    HB2  CYS  54           HB2      CYS  54  -9.707  -7.266  -5.910
  315    HB3  CYS  54           HB1      CYS  54 -10.168  -6.840  -4.265
  316    H    ILE  55           HN       ILE  55 -12.285  -9.389  -3.571
  317    HA   ILE  55           HA       ILE  55 -13.698  -9.547  -6.152
  318    HB   ILE  55           HB       ILE  55 -15.187 -11.237  -5.215
  319   HG12  ILE  55          HG12      ILE  55 -13.439 -11.768  -2.884
  320   HG13  ILE  55          HG11      ILE  55 -14.452 -10.333  -2.773
  321   HG21  ILE  55          HG21      ILE  55 -12.247 -11.744  -5.283
  322   HG22  ILE  55          HG22      ILE  55 -13.505 -12.265  -6.405
  323   HG23  ILE  55          HG23      ILE  55 -13.347 -13.046  -4.831
  324   HD11  ILE  55          HD11      ILE  55 -15.289 -12.663  -1.921
  325   HD12  ILE  55          HD12      ILE  55 -15.705 -12.890  -3.619
  326   HD13  ILE  55          HD13      ILE  55 -16.388 -11.537  -2.717
  327    H    SER  56           HN       SER  56 -16.241  -9.588  -5.506
  328    HA   SER  56           HA       SER  56 -16.641  -7.139  -3.922
  329    HB2  SER  56           HB2      SER  56 -18.803  -6.987  -5.292
  330    HB3  SER  56           HB1      SER  56 -17.292  -6.680  -6.149
  331    HG   SER  56           HG       SER  56 -18.519  -8.083  -7.374
  Start of MODEL    3
    1    H1   ASP   1           HT1      ASP   1   1.913  15.274  -4.791
    2    H2   ASP   1           HT2      ASP   1   3.584  15.168  -5.033
    3    H3   ASP   1           HT3      ASP   1   2.975  15.985  -3.683
    4    HA   ASP   1           HA       ASP   1   2.806  13.077  -4.222
    5    HB2  ASP   1           HB2      ASP   1   4.188  14.589  -1.995
    6    HB3  ASP   1           HB1      ASP   1   4.286  12.861  -2.320
    7    H    VAL   2           HN       VAL   2   2.338  12.065  -1.879
    8    HA   VAL   2           HA       VAL   2   0.044  13.486  -0.704
    9    HB   VAL   2           HB       VAL   2   0.052  10.517  -1.259
   10   HG11  VAL   2          HG11      VAL   2  -1.924  10.411  -0.193
   11   HG12  VAL   2          HG12      VAL   2  -2.469  11.960  -0.833
   12   HG13  VAL   2          HG13      VAL   2  -1.398  11.912   0.567
   13   HG21  VAL   2          HG21      VAL   2   0.010  11.953  -3.334
   14   HG22  VAL   2          HG22      VAL   2  -1.529  12.596  -2.758
   15   HG23  VAL   2          HG23      VAL   2  -1.371  10.877  -3.120
   16    H    GLN   3           HN       GLN   3   0.340  13.747   1.407
   17    HA   GLN   3           HA       GLN   3   2.426  12.615   2.878
   18    HB2  GLN   3           HB2      GLN   3  -0.085  14.074   3.602
   19    HB3  GLN   3           HB1      GLN   3   0.868  13.329   4.879
   20    HG2  GLN   3           HG2      GLN   3   2.708  14.720   3.313
   21    HG3  GLN   3           HG1      GLN   3   1.311  15.787   3.453
   22   HE21  GLN   3          HE21      GLN   3   0.369  15.582   5.843
   23   HE22  GLN   3          HE22      GLN   3   1.549  15.879   7.069
   24    H    CYS   4           HN       CYS   4   2.521  10.414   2.767
   25    HA   CYS   4           HA       CYS   4   0.512   8.562   2.913
   26    HB2  CYS   4           HB2      CYS   4   3.384   8.495   3.750
   27    HB3  CYS   4           HB1      CYS   4   2.351   7.108   4.079
   28    H    GLY   5           HN       GLY   5   2.221  10.061   5.630
   29    HA2  GLY   5           HA2      GLY   5   0.328  10.379   7.441
   30    HA3  GLY   5           HA1      GLY   5   0.502   8.631   7.510
   31    H    GLY   6           HN       GLY   6   2.656   7.764   8.084
   32    HA2  GLY   6           HA2      GLY   6   3.799   9.397  10.187
   33    HA3  GLY   6           HA1      GLY   6   4.118   7.697   9.887
   34    H    GLY   7           HN       GLY   7   4.578  10.794   8.153
   35    HA2  GLY   7           HA2      GLY   7   6.549  11.750   7.436
   36    HA3  GLY   7           HA1      GLY   7   7.422  10.402   8.134
   37    H    PHE   8           HN       PHE   8   5.141   9.012   6.126
   38    HA   PHE   8           HA       PHE   8   7.189   8.745   4.054
   39    HB2  PHE   8           HB2      PHE   8   5.083   7.035   5.082
   40    HB3  PHE   8           HB1      PHE   8   5.058   7.119   3.327
   41    HD1  PHE   8           HD1      PHE   8   7.186   6.324   6.241
   42    HD2  PHE   8           HD2      PHE   8   6.668   6.002   2.030
   43    HE1  PHE   8           HE1      PHE   8   9.042   4.712   6.141
   44    HE2  PHE   8           HE2      PHE   8   8.522   4.389   1.921
   45    HZ   PHE   8           HZ       PHE   8   9.711   3.741   3.978
   46    H    SER   9           HN       SER   9   5.927   8.220   1.812
   47    HA   SER   9           HA       SER   9   3.782   9.961   1.155
   48    HB2  SER   9           HB2      SER   9   6.539  11.000   0.912
   49    HB3  SER   9           HB1      SER   9   5.516  11.232  -0.505
   50    HG   SER   9           HG       SER   9   4.732  12.854   0.563
   51    H    CYS  10           HN       CYS  10   3.212   9.880  -1.098
   52    HA   CYS  10           HA       CYS  10   4.596   7.799  -2.644
   53    HB2  CYS  10           HB2      CYS  10   1.639   8.034  -2.097
   54    HB3  CYS  10           HB1      CYS  10   2.265   7.123  -3.464
   55    H    HIS  11           HN       HIS  11   3.553   7.829  -4.993
   56    HA   HIS  11           HA       HIS  11   3.931  10.550  -5.928
   57    HB2  HIS  11           HB2      HIS  11   4.621   8.072  -6.944
   58    HB3  HIS  11           HB1      HIS  11   3.271   8.561  -7.963
   59    HD1  HIS  11           HD1      HIS  11   3.617  10.636  -9.476
   60    HD2  HIS  11           HD2      HIS  11   6.963   9.564  -7.257
   61    HE1  HIS  11           HE1      HIS  11   5.530  11.930 -10.473
   62    HE2  HIS  11           HE2      HIS  11   7.556  11.209  -9.161
   63    H    ASP  12           HN       ASP  12   2.492  11.388  -7.690
   64    HA   ASP  12           HA       ASP  12  -0.126  11.667  -6.780
   65    HB2  ASP  12           HB2      ASP  12   1.310  12.344  -9.303
   66    HB3  ASP  12           HB1      ASP  12  -0.449  12.406  -9.319
   67    H    GLY  13           HN       GLY  13  -1.894  10.451  -6.957
   68    HA2  GLY  13           HA2      GLY  13  -3.431   9.097  -8.150
   69    HA3  GLY  13           HA1      GLY  13  -2.117   8.563  -9.185
   70    H    GLU  14           HN       GLU  14  -0.731   8.324  -6.286
   71    HA   GLU  14           HA       GLU  14  -1.545   5.516  -6.032
   72    HB2  GLU  14           HB2      GLU  14   0.773   6.582  -4.507
   73    HB3  GLU  14           HB1      GLU  14   0.548   5.010  -5.256
   74    HG2  GLU  14           HG2      GLU  14   0.760   7.333  -7.070
   75    HG3  GLU  14           HG1      GLU  14   2.220   6.847  -6.207
   76    H    THR  15           HN       THR  15  -1.577   4.591  -3.852
   77    HA   THR  15           HA       THR  15  -2.701   6.477  -1.880
   78    HB   THR  15           HB       THR  15  -3.573   3.623  -2.376
   79    HG1  THR  15           HG1      THR  15  -4.244   5.629  -3.747
   80   HG21  THR  15          HG21      THR  15  -3.705   4.218  -0.005
   81   HG22  THR  15          HG22      THR  15  -5.315   4.081  -0.711
   82   HG23  THR  15          HG23      THR  15  -4.614   5.672  -0.415
   83    H    CYS  16           HN       CYS  16  -1.996   6.346   0.179
   84    HA   CYS  16           HA       CYS  16   0.273   4.599   0.680
   85    HB2  CYS  16           HB2      CYS  16  -0.891   6.864   2.307
   86    HB3  CYS  16           HB1      CYS  16   0.575   5.973   2.719
   87    H    CYS  17           HN       CYS  17   0.130   2.764   1.759
   88    HA   CYS  17           HA       CYS  17  -2.078   2.396   3.666
   89    HB2  CYS  17           HB2      CYS  17  -1.036   0.449   1.605
   90    HB3  CYS  17           HB1      CYS  17  -2.029  -0.049   2.971
   91    HA   PRO  18           HA       PRO  18   1.468   1.367   6.198
   92    HB2  PRO  18           HB2      PRO  18   0.258   1.480   8.570
   93    HB3  PRO  18           HB1      PRO  18   0.510   2.946   7.614
   94    HG2  PRO  18           HG2      PRO  18  -1.972   1.319   7.972
   95    HG3  PRO  18           HG1      PRO  18  -1.787   3.080   7.896
   96    HD2  PRO  18           HD2      PRO  18  -2.569   1.447   5.781
   97    HD3  PRO  18           HD1      PRO  18  -1.935   3.094   5.623
   98    H    THR  19           HN       THR  19   1.324  -0.835   5.127
   99    HA   THR  19           HA       THR  19  -0.180  -2.880   6.471
  100    HB   THR  19           HB       THR  19   0.665  -4.386   4.884
  101    HG1  THR  19           HG1      THR  19   2.563  -3.635   3.559
  102   HG21  THR  19          HG21      THR  19   0.923  -1.922   3.219
  103   HG22  THR  19          HG22      THR  19  -0.612  -2.252   4.021
  104   HG23  THR  19          HG23      THR  19   0.056  -3.422   2.884
  105    H    SER  20           HN       SER  20   2.220  -1.218   7.677
  106    HA   SER  20           HA       SER  20   3.212  -3.455   9.246
  107    HB2  SER  20           HB2      SER  20   4.870  -1.881   7.349
  108    HB3  SER  20           HB1      SER  20   5.585  -2.240   8.921
  109    HG   SER  20           HG       SER  20   5.630  -3.820   6.937
  110    H    GLN  21           HN       GLN  21   5.336  -0.938   9.631
  111    HA   GLN  21           HA       GLN  21   3.686   0.694  11.360
  112    HB2  GLN  21           HB2      GLN  21   5.359  -1.456  12.385
  113    HB3  GLN  21           HB1      GLN  21   5.804   0.106  13.060
  114    HG2  GLN  21           HG2      GLN  21   2.929  -0.621  12.998
  115    HG3  GLN  21           HG1      GLN  21   3.971  -1.427  14.170
  116   HE21  GLN  21          HE21      GLN  21   3.007   1.756  12.987
  117   HE22  GLN  21          HE22      GLN  21   3.202   2.575  14.495
  118    H    THR  22           HN       THR  22   6.678  -0.016   9.765
  119    HA   THR  22           HA       THR  22   7.472   2.806  10.063
  120    HB   THR  22           HB       THR  22   9.002   1.452  11.382
  121    HG1  THR  22           HG1      THR  22  10.546   1.976   9.108
  122   HG21  THR  22          HG21      THR  22   9.783  -0.553  10.767
  123   HG22  THR  22          HG22      THR  22  10.262   0.035   9.175
  124   HG23  THR  22          HG23      THR  22   8.602  -0.489   9.459
  125    H    THR  23           HN       THR  23   6.293   0.641   7.977
  126    HA   THR  23           HA       THR  23   7.690   1.857   5.685
  127    HB   THR  23           HB       THR  23   7.465  -0.209   4.424
  128    HG1  THR  23           HG1      THR  23   6.646  -1.590   6.743
  129   HG21  THR  23          HG21      THR  23   8.747  -1.684   6.359
  130   HG22  THR  23          HG22      THR  23   9.011  -0.024   6.894
  131   HG23  THR  23          HG23      THR  23   9.515  -0.521   5.279
  132    H    TRP  24           HN       TRP  24   6.436   2.420   3.927
  133    HA   TRP  24           HA       TRP  24   3.524   2.092   4.245
  134    HB2  TRP  24           HB2      TRP  24   5.133   4.542   3.631
  135    HB3  TRP  24           HB1      TRP  24   3.510   4.389   2.965
  136    HD1  TRP  24           HD1      TRP  24   5.344   4.783   6.300
  137    HE1  TRP  24           HE1      TRP  24   3.650   5.529   8.089
  138    HE3  TRP  24           HE3      TRP  24   1.076   4.340   3.571
  139    HZ2  TRP  24           HZ2      TRP  24   0.851   5.880   8.300
  140    HZ3  TRP  24           HZ3      TRP  24  -1.076   4.890   4.626
  141    HH2  TRP  24           HH2      TRP  24  -1.179   5.649   6.938
  142    H    GLY  25           HN       GLY  25   2.403   1.464   2.469
  143    HA2  GLY  25           HA2      GLY  25   3.999   0.949   0.049
  144    HA3  GLY  25           HA1      GLY  25   2.540   0.085   0.507
  145    H    CYS  26           HN       CYS  26   3.345   1.554  -1.967
  146    HA   CYS  26           HA       CYS  26   1.206   3.569  -2.066
  147    HB2  CYS  26           HB2      CYS  26   3.469   3.113  -4.024
  148    HB3  CYS  26           HB1      CYS  26   2.293   4.420  -4.084
  149    H    CYS  27           HN       CYS  27  -0.622   3.083  -3.111
  150    HA   CYS  27           HA       CYS  27  -0.569   0.854  -5.036
  151    HB2  CYS  27           HB2      CYS  27  -2.140   1.204  -2.636
  152    HB3  CYS  27           HB1      CYS  27  -3.184   1.052  -4.044
  153    HA   PRO  28           HA       PRO  28  -2.124   4.049  -7.765
  154    HB2  PRO  28           HB2      PRO  28  -2.386   2.497  -9.969
  155    HB3  PRO  28           HB1      PRO  28  -0.818   3.081  -9.398
  156    HG2  PRO  28           HG2      PRO  28  -2.103   0.405  -8.995
  157    HG3  PRO  28           HG1      PRO  28  -0.424   0.785  -9.424
  158    HD2  PRO  28           HD2      PRO  28  -1.175   0.153  -6.899
  159    HD3  PRO  28           HD1      PRO  28   0.153   1.278  -7.246
  160    H    SER  29           HN       SER  29  -4.109   4.087  -6.439
  161    HA   SER  29           HA       SER  29  -6.403   3.451  -8.003
  162    HB2  SER  29           HB2      SER  29  -5.523   1.424  -6.231
  163    HB3  SER  29           HB1      SER  29  -6.957   2.147  -5.502
  164    HG   SER  29           HG       SER  29  -7.479   0.442  -6.942
  165    HA   PRO  30           HA       PRO  30  -8.064   6.780  -5.632
  166    HB2  PRO  30           HB2      PRO  30 -10.715   6.173  -5.503
  167    HB3  PRO  30           HB1      PRO  30  -9.927   6.753  -6.974
  168    HG2  PRO  30           HG2      PRO  30 -10.633   3.956  -6.180
  169    HG3  PRO  30           HG1      PRO  30 -10.811   4.752  -7.754
  170    HD2  PRO  30           HD2      PRO  30  -8.772   3.063  -7.207
  171    HD3  PRO  30           HD1      PRO  30  -8.595   4.449  -8.303
  172    H    LYS  31           HN       LYS  31 -10.735   5.675  -4.174
  173    HA   LYS  31           HA       LYS  31  -9.477   5.556  -1.590
  174    HB2  LYS  31           HB2      LYS  31 -11.846   6.520  -2.387
  175    HB3  LYS  31           HB1      LYS  31 -12.361   4.909  -1.907
  176    HG2  LYS  31           HG2      LYS  31 -11.253   5.325   0.307
  177    HG3  LYS  31           HG1      LYS  31 -11.044   7.002  -0.202
  178    HD2  LYS  31           HD2      LYS  31 -13.052   7.294   0.774
  179    HD3  LYS  31           HD1      LYS  31 -13.674   6.628  -0.738
  180    HE2  LYS  31           HE2      LYS  31 -12.912   4.521   1.072
  181    HE3  LYS  31           HE1      LYS  31 -14.047   5.625   1.846
  182    HZ1  LYS  31           HZ1      LYS  31 -15.688   4.737   0.681
  183    HZ2  LYS  31           HZ2      LYS  31 -14.611   3.619   0.009
  184    HZ3  LYS  31           HZ3      LYS  31 -14.908   5.085  -0.780
  185    H    ALA  32           HN       ALA  32  -8.394   3.492  -2.784
  186    HA   ALA  32           HA       ALA  32  -9.825   1.050  -2.682
  187    HB1  ALA  32           HB1      ALA  32  -6.880   1.028  -2.354
  188    HB2  ALA  32           HB2      ALA  32  -7.527   1.760  -3.822
  189    HB3  ALA  32           HB3      ALA  32  -7.910   0.084  -3.430
  190    H    VAL  33           HN       VAL  33  -9.432  -0.744  -1.228
  191    HA   VAL  33           HA       VAL  33  -9.141   0.153   1.544
  192    HB   VAL  33           HB       VAL  33  -9.996  -2.602   0.681
  193   HG11  VAL  33          HG11      VAL  33  -9.577  -2.537   2.984
  194   HG12  VAL  33          HG12      VAL  33 -11.324  -2.343   2.849
  195   HG13  VAL  33          HG13      VAL  33 -10.303  -0.940   3.161
  196   HG21  VAL  33          HG21      VAL  33 -11.336  -0.691  -0.408
  197   HG22  VAL  33          HG22      VAL  33 -11.958  -0.400   1.216
  198   HG23  VAL  33          HG23      VAL  33 -12.222  -1.960   0.437
  199    H    CYS  34           HN       CYS  34  -7.272  -0.188   2.582
  200    HA   CYS  34           HA       CYS  34  -5.145  -1.625   1.368
  201    HB2  CYS  34           HB2      CYS  34  -5.290  -0.673   4.232
  202    HB3  CYS  34           HB1      CYS  34  -3.841  -1.013   3.292
  203    H    CYS  35           HN       CYS  35  -5.477  -3.787   1.127
  204    HA   CYS  35           HA       CYS  35  -6.710  -5.531   2.920
  205    HB2  CYS  35           HB2      CYS  35  -4.449  -6.101   0.985
  206    HB3  CYS  35           HB1      CYS  35  -5.424  -7.331   1.783
  207    H    ASP  36           HN       ASP  36  -6.212  -5.779   4.961
  208    HA   ASP  36           HA       ASP  36  -3.441  -5.492   5.849
  209    HB2  ASP  36           HB2      ASP  36  -6.048  -5.472   7.369
  210    HB3  ASP  36           HB1      ASP  36  -4.465  -5.367   8.134
  211    H    ASP  37           HN       ASP  37  -5.647  -8.024   5.188
  212    HA   ASP  37           HA       ASP  37  -5.114  -9.847   7.214
  213    HB2  ASP  37           HB2      ASP  37  -6.701 -10.019   5.153
  214    HB3  ASP  37           HB1      ASP  37  -5.301 -10.715   4.341
  215    H    MET  38           HN       MET  38  -3.314  -9.063   4.304
  216    HA   MET  38           HA       MET  38  -0.974 -10.443   5.425
  217    HB2  MET  38           HB2      MET  38  -1.992 -10.501   2.586
  218    HB3  MET  38           HB1      MET  38  -0.324 -10.883   2.988
  219    HG2  MET  38           HG2      MET  38  -1.741 -12.457   4.729
  220    HG3  MET  38           HG1      MET  38  -2.737 -12.483   3.276
  221    HE1  MET  38           HE1      MET  38  -0.577 -15.652   3.974
  222    HE2  MET  38           HE2      MET  38  -1.758 -15.598   2.665
  223    HE3  MET  38           HE3      MET  38  -2.123 -14.837   4.214
  224    H    GLN  39           HN       GLN  39  -0.899  -8.878   2.323
  225    HA   GLN  39           HA       GLN  39  -0.127  -6.310   3.358
  226    HB2  GLN  39           HB2      GLN  39   1.881  -8.293   2.788
  227    HB3  GLN  39           HB1      GLN  39   2.031  -6.960   1.653
  228    HG2  GLN  39           HG2      GLN  39   2.297  -5.386   3.421
  229    HG3  GLN  39           HG1      GLN  39   1.902  -6.603   4.634
  230   HE21  GLN  39          HE21      GLN  39   3.490  -7.804   5.467
  231   HE22  GLN  39          HE22      GLN  39   5.133  -7.786   4.933
  232    H    HIS  40           HN       HIS  40  -2.020  -5.795   2.014
  233    HA   HIS  40           HA       HIS  40  -1.201  -5.176  -0.686
  234    HB2  HIS  40           HB2      HIS  40  -2.223  -7.690  -0.365
  235    HB3  HIS  40           HB1      HIS  40  -3.652  -6.774  -0.833
  236    HD1  HIS  40           HD1      HIS  40  -3.595  -5.635  -3.200
  237    HD2  HIS  40           HD2      HIS  40  -0.392  -8.154  -2.384
  238    HE1  HIS  40           HE1      HIS  40  -2.496  -6.067  -5.421
  239    HE2  HIS  40           HE2      HIS  40  -0.538  -7.564  -4.898
  240    H    CYS  41           HN       CYS  41  -3.401  -4.707  -2.006
  241    HA   CYS  41           HA       CYS  41  -5.259  -3.147  -0.393
  242    HB2  CYS  41           HB2      CYS  41  -4.861  -1.097  -1.425
  243    HB3  CYS  41           HB1      CYS  41  -3.233  -1.735  -1.225
  244    H    CYS  42           HN       CYS  42  -7.260  -2.810  -1.410
  245    HA   CYS  42           HA       CYS  42  -7.646  -4.300  -3.920
  246    HB2  CYS  42           HB2      CYS  42  -9.044  -4.417  -1.340
  247    HB3  CYS  42           HB1      CYS  42 -10.118  -4.278  -2.725
  248    HA   PRO  43           HA       PRO  43  -8.839  -0.456  -5.811
  249    HB2  PRO  43           HB2      PRO  43 -10.748  -2.292  -7.206
  250    HB3  PRO  43           HB1      PRO  43  -9.695  -1.040  -7.881
  251    HG2  PRO  43           HG2      PRO  43  -9.008  -3.591  -8.075
  252    HG3  PRO  43           HG1      PRO  43  -7.789  -2.359  -7.695
  253    HD2  PRO  43           HD2      PRO  43  -9.071  -4.368  -5.906
  254    HD3  PRO  43           HD1      PRO  43  -7.421  -3.713  -5.873
  255    H    ALA  44           HN       ALA  44 -10.220   1.055  -5.228
  256    HA   ALA  44           HA       ALA  44 -12.109   0.881  -3.282
  257    HB1  ALA  44           HB1      ALA  44 -13.139   2.958  -4.378
  258    HB2  ALA  44           HB2      ALA  44 -11.865   2.785  -5.585
  259    HB3  ALA  44           HB3      ALA  44 -11.446   3.035  -3.891
  260    H    GLY  45           HN       GLY  45 -13.704  -0.580  -3.221
  261    HA2  GLY  45           HA2      GLY  45 -16.091  -0.728  -3.907
  262    HA3  GLY  45           HA1      GLY  45 -15.500  -0.726  -5.562
  263    H    TYR  46           HN       TYR  46 -13.303  -2.485  -3.836
  264    HA   TYR  46           HA       TYR  46 -14.794  -4.996  -4.198
  265    HB2  TYR  46           HB2      TYR  46 -11.965  -4.365  -5.050
  266    HB3  TYR  46           HB1      TYR  46 -12.583  -6.007  -4.916
  267    HD1  TYR  46           HD1      TYR  46 -12.779  -2.863  -6.803
  268    HD2  TYR  46           HD2      TYR  46 -14.140  -6.886  -6.541
  269    HE1  TYR  46           HE1      TYR  46 -13.660  -2.708  -9.093
  270    HE2  TYR  46           HE2      TYR  46 -15.025  -6.742  -8.832
  271    HH   TYR  46           HH       TYR  46 -15.850  -4.618 -10.355
  272    H    LYS  47           HN       LYS  47 -13.827  -6.826  -2.972
  273    HA   LYS  47           HA       LYS  47 -12.614  -5.876  -0.460
  274    HB2  LYS  47           HB2      LYS  47 -15.042  -6.816  -0.486
  275    HB3  LYS  47           HB1      LYS  47 -14.259  -8.382  -0.648
  276    HG2  LYS  47           HG2      LYS  47 -13.188  -6.699   1.499
  277    HG3  LYS  47           HG1      LYS  47 -14.870  -7.188   1.707
  278    HD2  LYS  47           HD2      LYS  47 -13.376  -9.439   0.804
  279    HD3  LYS  47           HD1      LYS  47 -12.523  -8.709   2.165
  280    HE2  LYS  47           HE2      LYS  47 -14.778  -8.692   3.354
  281    HE3  LYS  47           HE1      LYS  47 -15.335  -9.765   2.071
  282    HZ1  LYS  47           HZ1      LYS  47 -12.851 -10.596   3.253
  283    HZ2  LYS  47           HZ2      LYS  47 -14.259 -11.486   2.960
  284    HZ3  LYS  47           HZ3      LYS  47 -14.128 -10.551   4.362
  285    H    CYS  48           HN       CYS  48 -11.203  -7.391   0.647
  286    HA   CYS  48           HA       CYS  48  -9.580  -8.880  -1.255
  287    HB2  CYS  48           HB2      CYS  48  -9.012  -7.339   1.018
  288    HB3  CYS  48           HB1      CYS  48  -8.627  -8.996   1.472
  289    H    GLY  49           HN       GLY  49  -9.900 -10.976  -1.578
  290    HA2  GLY  49           HA2      GLY  49 -11.340 -12.534   0.438
  291    HA3  GLY  49           HA1      GLY  49 -11.050 -13.011  -1.229
  292    HA   PRO  50           HA       PRO  50  -7.918 -15.117   1.522
  293    HB2  PRO  50           HB2      PRO  50  -8.808 -17.634   1.448
  294    HB3  PRO  50           HB1      PRO  50  -9.514 -16.447   2.552
  295    HG2  PRO  50           HG2      PRO  50 -10.549 -17.449  -0.069
  296    HG3  PRO  50           HG1      PRO  50 -11.432 -17.125   1.433
  297    HD2  PRO  50           HD2      PRO  50 -11.310 -15.400  -0.722
  298    HD3  PRO  50           HD1      PRO  50 -11.673 -14.908   0.943
  299    H    GLY  51           HN       GLY  51  -8.525 -14.788  -1.591
  300    HA2  GLY  51           HA2      GLY  51  -6.665 -16.923  -2.432
  301    HA3  GLY  51           HA1      GLY  51  -7.903 -16.238  -3.473
  302    H    GLY  52           HN       GLY  52  -6.336 -13.957  -1.498
  303    HA2  GLY  52           HA2      GLY  52  -4.764 -12.332  -1.915
  304    HA3  GLY  52           HA1      GLY  52  -4.041 -13.434  -3.078
  305    H    THR  53           HN       THR  53  -7.369 -12.572  -3.440
  306    HA   THR  53           HA       THR  53  -6.707 -10.548  -5.458
  307    HB   THR  53           HB       THR  53  -8.694 -11.679  -6.791
  308    HG1  THR  53           HG1      THR  53  -7.488 -14.019  -5.779
  309   HG21  THR  53          HG21      THR  53  -6.754 -11.477  -8.001
  310   HG22  THR  53          HG22      THR  53  -6.827 -13.231  -7.829
  311   HG23  THR  53          HG23      THR  53  -5.776 -12.284  -6.776
  312    H    CYS  54           HN       CYS  54  -8.693  -9.358  -6.194
  313    HA   CYS  54           HA       CYS  54 -10.376  -8.831  -3.865
  314    HB2  CYS  54           HB2      CYS  54 -10.090  -7.250  -6.429
  315    HB3  CYS  54           HB1      CYS  54 -10.978  -6.747  -4.994
  316    H    ILE  55           HN       ILE  55 -12.513  -9.214  -3.798
  317    HA   ILE  55           HA       ILE  55 -13.837 -10.122  -6.266
  318    HB   ILE  55           HB       ILE  55 -15.182 -11.677  -4.816
  319   HG12  ILE  55          HG12      ILE  55 -12.982 -11.622  -2.807
  320   HG13  ILE  55          HG11      ILE  55 -14.201 -10.355  -2.712
  321   HG21  ILE  55          HG21      ILE  55 -13.679 -12.829  -6.099
  322   HG22  ILE  55          HG22      ILE  55 -13.104 -13.257  -4.487
  323   HG23  ILE  55          HG23      ILE  55 -12.285 -11.996  -5.410
  324   HD11  ILE  55          HD11      ILE  55 -14.420 -12.678  -1.441
  325   HD12  ILE  55          HD12      ILE  55 -15.180 -13.129  -2.968
  326   HD13  ILE  55          HD13      ILE  55 -15.817 -11.777  -2.031
  327    H    SER  56           HN       SER  56 -16.245 -10.027  -6.109
  328    HA   SER  56           HA       SER  56 -17.049  -7.431  -5.255
  329    HB2  SER  56           HB2      SER  56 -17.939  -8.872  -7.237
  330    HB3  SER  56           HB1      SER  56 -18.997  -9.587  -6.020
  331    HG   SER  56           HG       SER  56 -18.882  -6.826  -6.018
  Start of MODEL    4
    1    H1   ASP   1           HT1      ASP   1   4.504  16.842  -3.814
    2    H2   ASP   1           HT2      ASP   1   4.490  16.266  -5.405
    3    H3   ASP   1           HT3      ASP   1   5.877  16.088  -4.454
    4    HA   ASP   1           HA       ASP   1   3.876  14.251  -4.791
    5    HB2  ASP   1           HB2      ASP   1   5.168  13.138  -2.844
    6    HB3  ASP   1           HB1      ASP   1   6.060  13.538  -4.310
    7    H    VAL   2           HN       VAL   2   2.854  12.993  -2.935
    8    HA   VAL   2           HA       VAL   2   1.371  14.889  -1.250
    9    HB   VAL   2           HB       VAL   2   0.486  12.060  -1.514
   10   HG11  VAL   2          HG11      VAL   2  -0.912  14.726  -1.386
   11   HG12  VAL   2          HG12      VAL   2  -0.785  13.521  -0.104
   12   HG13  VAL   2          HG13      VAL   2  -1.737  13.176  -1.548
   13   HG21  VAL   2          HG21      VAL   2  -0.159  12.120  -3.678
   14   HG22  VAL   2          HG22      VAL   2   1.172  13.266  -3.824
   15   HG23  VAL   2          HG23      VAL   2  -0.480  13.852  -3.647
   16    H    GLN   3           HN       GLN   3   1.452  14.778   0.931
   17    HA   GLN   3           HA       GLN   3   3.380  12.981   2.128
   18    HB2  GLN   3           HB2      GLN   3   2.327  15.545   2.754
   19    HB3  GLN   3           HB1      GLN   3   1.937  14.472   4.093
   20    HG2  GLN   3           HG2      GLN   3   4.087  15.703   4.330
   21    HG3  GLN   3           HG1      GLN   3   4.222  13.949   4.454
   22   HE21  GLN   3          HE21      GLN   3   4.861  16.745   2.470
   23   HE22  GLN   3          HE22      GLN   3   6.011  15.988   1.426
   24    H    CYS   4           HN       CYS   4   2.843  11.015   2.786
   25    HA   CYS   4           HA       CYS   4   0.209  10.053   2.941
   26    HB2  CYS   4           HB2      CYS   4   1.902   8.435   2.596
   27    HB3  CYS   4           HB1      CYS   4   2.819   8.970   4.001
   28    H    GLY   5           HN       GLY   5   2.424  10.015   5.684
   29    HA2  GLY   5           HA2      GLY   5   1.594  11.540   7.610
   30    HA3  GLY   5           HA1      GLY   5   0.157  10.532   7.477
   31    H    GLY   6           HN       GLY   6   3.675  10.172   7.655
   32    HA2  GLY   6           HA2      GLY   6   3.915   8.860  10.038
   33    HA3  GLY   6           HA1      GLY   6   3.502   7.587   8.897
   34    H    GLY   7           HN       GLY   7   5.143  10.008   7.291
   35    HA2  GLY   7           HA2      GLY   7   7.572  10.359   7.342
   36    HA3  GLY   7           HA1      GLY   7   7.730   8.655   7.727
   37    H    PHE   8           HN       PHE   8   5.409   8.356   5.590
   38    HA   PHE   8           HA       PHE   8   7.306   8.261   3.338
   39    HB2  PHE   8           HB2      PHE   8   4.928   6.564   4.041
   40    HB3  PHE   8           HB1      PHE   8   5.626   6.560   2.422
   41    HD1  PHE   8           HD1      PHE   8   6.806   6.306   5.961
   42    HD2  PHE   8           HD2      PHE   8   7.142   4.910   1.955
   43    HE1  PHE   8           HE1      PHE   8   8.480   4.653   6.682
   44    HE2  PHE   8           HE2      PHE   8   8.817   3.256   2.668
   45    HZ   PHE   8           HZ       PHE   8   9.486   3.124   5.035
   46    H    SER   9           HN       SER   9   5.893   8.030   1.181
   47    HA   SER   9           HA       SER   9   3.706   9.919   1.049
   48    HB2  SER   9           HB2      SER   9   5.491  10.800  -0.977
   49    HB3  SER   9           HB1      SER   9   4.904  11.707   0.417
   50    HG   SER   9           HG       SER   9   6.956  11.684   0.921
   51    H    CYS  10           HN       CYS  10   2.734   9.993  -1.113
   52    HA   CYS  10           HA       CYS  10   3.451   7.676  -2.781
   53    HB2  CYS  10           HB2      CYS  10   0.874   8.349  -1.501
   54    HB3  CYS  10           HB1      CYS  10   0.773   7.858  -3.186
   55    H    HIS  11           HN       HIS  11   2.571   7.828  -5.005
   56    HA   HIS  11           HA       HIS  11   3.048  10.484  -6.052
   57    HB2  HIS  11           HB2      HIS  11   3.796   8.127  -6.999
   58    HB3  HIS  11           HB1      HIS  11   2.230   8.202  -7.800
   59    HD1  HIS  11           HD1      HIS  11   4.356  11.262  -7.312
   60    HD2  HIS  11           HD2      HIS  11   3.293   8.609 -10.330
   61    HE1  HIS  11           HE1      HIS  11   5.196  12.298  -9.445
   62    HE2  HIS  11           HE2      HIS  11   4.535  10.679 -11.260
   63    H    ASP  12           HN       ASP  12   1.594  11.183  -7.959
   64    HA   ASP  12           HA       ASP  12  -0.952  11.772  -6.960
   65    HB2  ASP  12           HB2      ASP  12   0.578  12.693  -9.033
   66    HB3  ASP  12           HB1      ASP  12  -0.700  11.837  -9.892
   67    H    GLY  13           HN       GLY  13  -2.821  10.711  -6.971
   68    HA2  GLY  13           HA2      GLY  13  -4.501   9.334  -7.869
   69    HA3  GLY  13           HA1      GLY  13  -3.323   8.661  -8.985
   70    H    GLU  14           HN       GLU  14  -1.633   8.497  -6.277
   71    HA   GLU  14           HA       GLU  14  -2.610   5.790  -5.694
   72    HB2  GLU  14           HB2      GLU  14  -0.060   6.603  -4.484
   73    HB3  GLU  14           HB1      GLU  14  -0.473   5.141  -5.369
   74    HG2  GLU  14           HG2      GLU  14  -0.405   7.410  -7.134
   75    HG3  GLU  14           HG1      GLU  14   1.104   7.266  -6.234
   76    H    THR  15           HN       THR  15  -2.452   5.031  -3.429
   77    HA   THR  15           HA       THR  15  -2.966   7.190  -1.492
   78    HB   THR  15           HB       THR  15  -4.416   4.536  -1.502
   79    HG1  THR  15           HG1      THR  15  -4.823   6.305  -3.255
   80   HG21  THR  15          HG21      THR  15  -5.904   6.447  -0.152
   81   HG22  THR  15          HG22      THR  15  -4.243   6.784   0.332
   82   HG23  THR  15          HG23      THR  15  -4.925   5.177   0.582
   83    H    CYS  16           HN       CYS  16  -2.068   6.911   0.536
   84    HA   CYS  16           HA       CYS  16  -0.083   4.799   0.714
   85    HB2  CYS  16           HB2      CYS  16   1.042   6.113   2.212
   86    HB3  CYS  16           HB1      CYS  16   0.181   7.347   1.302
   87    H    CYS  17           HN       CYS  17  -0.295   2.997   1.845
   88    HA   CYS  17           HA       CYS  17  -2.345   2.863   3.957
   89    HB2  CYS  17           HB2      CYS  17  -3.310   1.032   3.056
   90    HB3  CYS  17           HB1      CYS  17  -2.559   1.575   1.560
   91    HA   PRO  18           HA       PRO  18   1.102   1.334   6.302
   92    HB2  PRO  18           HB2      PRO  18  -0.114   1.036   8.647
   93    HB3  PRO  18           HB1      PRO  18   0.068   2.640   7.931
   94    HG2  PRO  18           HG2      PRO  18  -2.336   0.858   7.987
   95    HG3  PRO  18           HG1      PRO  18  -2.237   2.611   8.227
   96    HD2  PRO  18           HD2      PRO  18  -2.935   1.365   5.841
   97    HD3  PRO  18           HD1      PRO  18  -2.342   3.028   5.986
   98    H    THR  19           HN       THR  19   1.881  -0.666   5.906
   99    HA   THR  19           HA       THR  19   0.128  -2.983   6.074
  100    HB   THR  19           HB       THR  19   1.844  -4.230   4.998
  101    HG1  THR  19           HG1      THR  19   3.789  -2.386   4.712
  102   HG21  THR  19          HG21      THR  19   0.695  -2.842   3.438
  103   HG22  THR  19          HG22      THR  19   2.407  -2.768   3.023
  104   HG23  THR  19          HG23      THR  19   1.652  -1.431   3.892
  105    H    SER  20           HN       SER  20   2.258  -1.317   8.096
  106    HA   SER  20           HA       SER  20   2.148  -3.468  10.038
  107    HB2  SER  20           HB2      SER  20   4.846  -2.254   9.469
  108    HB3  SER  20           HB1      SER  20   4.466  -3.706  10.394
  109    HG   SER  20           HG       SER  20   4.297  -3.343   7.589
  110    H    GLN  21           HN       GLN  21   4.619  -1.164  10.569
  111    HA   GLN  21           HA       GLN  21   2.822   0.672  11.962
  112    HB2  GLN  21           HB2      GLN  21   4.966   0.384  13.724
  113    HB3  GLN  21           HB1      GLN  21   3.317  -0.170  13.969
  114    HG2  GLN  21           HG2      GLN  21   4.119  -2.224  14.126
  115    HG3  GLN  21           HG1      GLN  21   4.505  -2.142  12.407
  116   HE21  GLN  21          HE21      GLN  21   6.621  -1.618  11.777
  117   HE22  GLN  21          HE22      GLN  21   7.954  -1.791  12.861
  118    H    THR  22           HN       THR  22   5.788  -0.021  10.371
  119    HA   THR  22           HA       THR  22   6.440   2.847  10.375
  120    HB   THR  22           HB       THR  22   8.907   1.884  10.104
  121    HG1  THR  22           HG1      THR  22   7.903  -0.320  10.454
  122   HG21  THR  22          HG21      THR  22   7.747   3.393  11.917
  123   HG22  THR  22          HG22      THR  22   9.325   2.670  12.227
  124   HG23  THR  22          HG23      THR  22   7.872   1.934  12.902
  125    H    THR  23           HN       THR  23   5.288   0.547   8.547
  126    HA   THR  23           HA       THR  23   6.912   1.241   6.187
  127    HB   THR  23           HB       THR  23   5.160  -1.002   5.720
  128    HG1  THR  23           HG1      THR  23   5.896  -2.407   7.240
  129   HG21  THR  23          HG21      THR  23   7.578  -0.089   4.828
  130   HG22  THR  23          HG22      THR  23   6.912  -1.687   4.490
  131   HG23  THR  23          HG23      THR  23   8.050  -1.469   5.819
  132    H    TRP  24           HN       TRP  24   5.855   1.758   4.258
  133    HA   TRP  24           HA       TRP  24   2.955   2.140   4.381
  134    HB2  TRP  24           HB2      TRP  24   5.026   4.264   3.955
  135    HB3  TRP  24           HB1      TRP  24   3.450   4.415   3.187
  136    HD1  TRP  24           HD1      TRP  24   5.200   5.038   6.419
  137    HE1  TRP  24           HE1      TRP  24   3.515   5.835   8.196
  138    HE3  TRP  24           HE3      TRP  24   0.883   3.999   3.939
  139    HZ2  TRP  24           HZ2      TRP  24   0.713   6.004   8.496
  140    HZ3  TRP  24           HZ3      TRP  24  -1.263   4.518   5.022
  141    HH2  TRP  24           HH2      TRP  24  -1.343   5.494   7.253
  142    H    GLY  25           HN       GLY  25   1.908   1.945   2.427
  143    HA2  GLY  25           HA2      GLY  25   3.625   1.383   0.087
  144    HA3  GLY  25           HA1      GLY  25   2.243   0.374   0.488
  145    H    CYS  26           HN       CYS  26   2.559   1.592  -1.997
  146    HA   CYS  26           HA       CYS  26   0.609   3.791  -1.959
  147    HB2  CYS  26           HB2      CYS  26   2.757   2.973  -3.881
  148    HB3  CYS  26           HB1      CYS  26   1.375   3.886  -4.475
  149    H    CYS  27           HN       CYS  27  -1.385   3.501  -2.714
  150    HA   CYS  27           HA       CYS  27  -2.021   0.948  -4.021
  151    HB2  CYS  27           HB2      CYS  27  -3.603   2.769  -2.224
  152    HB3  CYS  27           HB1      CYS  27  -4.416   1.614  -3.272
  153    HA   PRO  28           HA       PRO  28  -2.967   3.355  -7.636
  154    HB2  PRO  28           HB2      PRO  28  -3.999   1.404  -9.166
  155    HB3  PRO  28           HB1      PRO  28  -2.277   1.464  -8.769
  156    HG2  PRO  28           HG2      PRO  28  -4.445  -0.199  -7.547
  157    HG3  PRO  28           HG1      PRO  28  -2.796  -0.668  -7.999
  158    HD2  PRO  28           HD2      PRO  28  -3.554  -0.050  -5.443
  159    HD3  PRO  28           HD1      PRO  28  -1.901   0.153  -6.057
  160    H    SER  29           HN       SER  29  -4.921   3.365  -5.422
  161    HA   SER  29           HA       SER  29  -7.197   4.235  -6.925
  162    HB2  SER  29           HB2      SER  29  -7.176   1.546  -5.803
  163    HB3  SER  29           HB1      SER  29  -8.506   2.520  -5.178
  164    HG   SER  29           HG       SER  29  -9.411   2.523  -7.090
  165    HA   PRO  30           HA       PRO  30  -7.345   7.007  -3.470
  166    HB2  PRO  30           HB2      PRO  30 -10.244   7.182  -4.081
  167    HB3  PRO  30           HB1      PRO  30  -9.036   8.466  -3.981
  168    HG2  PRO  30           HG2      PRO  30  -9.981   7.658  -6.339
  169    HG3  PRO  30           HG1      PRO  30  -8.275   8.098  -6.139
  170    HD2  PRO  30           HD2      PRO  30  -9.528   5.389  -6.312
  171    HD3  PRO  30           HD1      PRO  30  -7.996   5.968  -6.997
  172    H    LYS  31           HN       LYS  31 -10.531   5.436  -3.616
  173    HA   LYS  31           HA       LYS  31 -10.440   4.964  -0.756
  174    HB2  LYS  31           HB2      LYS  31 -12.639   4.267  -2.706
  175    HB3  LYS  31           HB1      LYS  31 -12.768   4.361  -0.955
  176    HG2  LYS  31           HG2      LYS  31 -11.822   6.857  -1.706
  177    HG3  LYS  31           HG1      LYS  31 -13.014   6.444  -2.939
  178    HD2  LYS  31           HD2      LYS  31 -14.546   7.172  -1.482
  179    HD3  LYS  31           HD1      LYS  31 -14.244   5.673  -0.601
  180    HE2  LYS  31           HE2      LYS  31 -12.370   6.941   0.573
  181    HE3  LYS  31           HE1      LYS  31 -13.090   8.401  -0.103
  182    HZ1  LYS  31           HZ1      LYS  31 -15.165   7.846   1.015
  183    HZ2  LYS  31           HZ2      LYS  31 -13.898   7.989   2.128
  184    HZ3  LYS  31           HZ3      LYS  31 -14.459   6.458   1.679
  185    H    ALA  32           HN       ALA  32  -8.569   3.462  -2.286
  186    HA   ALA  32           HA       ALA  32  -9.443   0.821  -2.809
  187    HB1  ALA  32           HB1      ALA  32  -7.429   0.899  -3.757
  188    HB2  ALA  32           HB2      ALA  32  -6.760   0.625  -2.148
  189    HB3  ALA  32           HB3      ALA  32  -6.932   2.269  -2.763
  190    H    VAL  33           HN       VAL  33  -8.776  -1.113  -1.588
  191    HA   VAL  33           HA       VAL  33  -8.937  -0.661   1.316
  192    HB   VAL  33           HB       VAL  33  -9.632  -3.239  -0.084
  193   HG11  VAL  33          HG11      VAL  33 -10.846  -3.727   1.952
  194   HG12  VAL  33          HG12      VAL  33 -10.458  -2.133   2.598
  195   HG13  VAL  33          HG13      VAL  33  -9.175  -3.316   2.336
  196   HG21  VAL  33          HG21      VAL  33 -11.802  -2.609  -0.448
  197   HG22  VAL  33          HG22      VAL  33 -10.987  -1.073  -0.738
  198   HG23  VAL  33          HG23      VAL  33 -11.772  -1.376   0.811
  199    H    CYS  34           HN       CYS  34  -6.845  -0.657   1.976
  200    HA   CYS  34           HA       CYS  34  -4.813  -2.239   0.810
  201    HB2  CYS  34           HB2      CYS  34  -4.203  -0.215   1.918
  202    HB3  CYS  34           HB1      CYS  34  -4.941  -0.738   3.427
  203    H    CYS  35           HN       CYS  35  -5.148  -4.398   0.812
  204    HA   CYS  35           HA       CYS  35  -6.331  -5.957   2.770
  205    HB2  CYS  35           HB2      CYS  35  -4.945  -6.425   0.369
  206    HB3  CYS  35           HB1      CYS  35  -4.095  -7.367   1.590
  207    H    ASP  36           HN       ASP  36  -5.847  -5.853   4.844
  208    HA   ASP  36           HA       ASP  36  -3.093  -5.501   5.712
  209    HB2  ASP  36           HB2      ASP  36  -3.941  -4.826   7.781
  210    HB3  ASP  36           HB1      ASP  36  -5.133  -4.222   6.634
  211    H    ASP  37           HN       ASP  37  -5.370  -8.076   5.374
  212    HA   ASP  37           HA       ASP  37  -4.743  -9.772   7.452
  213    HB2  ASP  37           HB2      ASP  37  -5.379 -11.611   5.986
  214    HB3  ASP  37           HB1      ASP  37  -6.454 -10.242   5.717
  215    H    MET  38           HN       MET  38  -2.992  -9.164   4.470
  216    HA   MET  38           HA       MET  38  -0.636 -10.467   5.639
  217    HB2  MET  38           HB2      MET  38  -1.586 -10.687   2.777
  218    HB3  MET  38           HB1      MET  38  -0.018 -11.242   3.349
  219    HG2  MET  38           HG2      MET  38  -2.489 -12.244   4.673
  220    HG3  MET  38           HG1      MET  38  -2.019 -12.899   3.105
  221    HE1  MET  38           HE1      MET  38  -1.586 -15.622   4.710
  222    HE2  MET  38           HE2      MET  38  -0.007 -15.669   3.923
  223    HE3  MET  38           HE3      MET  38  -1.378 -14.912   3.109
  224    H    GLN  39           HN       GLN  39  -0.622  -9.162   2.412
  225    HA   GLN  39           HA       GLN  39   0.183  -6.525   3.197
  226    HB2  GLN  39           HB2      GLN  39   2.326  -7.278   1.537
  227    HB3  GLN  39           HB1      GLN  39   2.400  -6.834   3.235
  228    HG2  GLN  39           HG2      GLN  39   2.167  -9.138   3.897
  229    HG3  GLN  39           HG1      GLN  39   1.937  -9.628   2.219
  230   HE21  GLN  39          HE21      GLN  39   3.680  -9.908   0.921
  231   HE22  GLN  39          HE22      GLN  39   5.315  -9.770   1.460
  232    H    HIS  40           HN       HIS  40  -1.711  -6.096   1.837
  233    HA   HIS  40           HA       HIS  40  -0.936  -5.836  -0.942
  234    HB2  HIS  40           HB2      HIS  40  -2.473  -8.102  -0.093
  235    HB3  HIS  40           HB1      HIS  40  -3.445  -7.099  -1.167
  236    HD1  HIS  40           HD1      HIS  40  -2.285  -6.564  -3.555
  237    HD2  HIS  40           HD2      HIS  40  -0.667  -9.697  -1.356
  238    HE1  HIS  40           HE1      HIS  40  -0.925  -7.902  -5.192
  239    HE2  HIS  40           HE2      HIS  40   0.155  -9.709  -3.809
  240    H    CYS  41           HN       CYS  41  -3.157  -5.333  -2.222
  241    HA   CYS  41           HA       CYS  41  -4.818  -3.473  -0.726
  242    HB2  CYS  41           HB2      CYS  41  -2.734  -2.265  -1.609
  243    HB3  CYS  41           HB1      CYS  41  -3.414  -2.512  -3.213
  244    H    CYS  42           HN       CYS  42  -6.757  -2.909  -1.810
  245    HA   CYS  42           HA       CYS  42  -7.337  -4.498  -4.222
  246    HB2  CYS  42           HB2      CYS  42  -8.734  -4.407  -1.617
  247    HB3  CYS  42           HB1      CYS  42  -9.775  -4.337  -3.034
  248    HA   PRO  43           HA       PRO  43  -8.439  -0.616  -6.057
  249    HB2  PRO  43           HB2      PRO  43 -10.414  -2.262  -7.558
  250    HB3  PRO  43           HB1      PRO  43  -9.188  -1.141  -8.163
  251    HG2  PRO  43           HG2      PRO  43  -8.797  -3.750  -8.367
  252    HG3  PRO  43           HG1      PRO  43  -7.464  -2.678  -7.889
  253    HD2  PRO  43           HD2      PRO  43  -9.156  -4.465  -6.179
  254    HD3  PRO  43           HD1      PRO  43  -7.404  -4.176  -6.117
  255    H    ALA  44           HN       ALA  44  -9.761   0.930  -5.428
  256    HA   ALA  44           HA       ALA  44 -11.689   0.797  -3.536
  257    HB1  ALA  44           HB1      ALA  44 -11.962   2.733  -5.814
  258    HB2  ALA  44           HB2      ALA  44 -10.665   2.861  -4.626
  259    HB3  ALA  44           HB3      ALA  44 -12.349   2.974  -4.110
  260    H    GLY  45           HN       GLY  45 -13.542  -0.236  -3.376
  261    HA2  GLY  45           HA2      GLY  45 -15.849  -0.390  -4.150
  262    HA3  GLY  45           HA1      GLY  45 -15.225  -0.478  -5.790
  263    H    TYR  46           HN       TYR  46 -13.098  -2.325  -4.223
  264    HA   TYR  46           HA       TYR  46 -14.741  -4.748  -4.555
  265    HB2  TYR  46           HB2      TYR  46 -11.777  -4.360  -5.015
  266    HB3  TYR  46           HB1      TYR  46 -12.593  -5.919  -5.059
  267    HD1  TYR  46           HD1      TYR  46 -14.985  -5.507  -6.563
  268    HD2  TYR  46           HD2      TYR  46 -11.157  -3.746  -7.147
  269    HE1  TYR  46           HE1      TYR  46 -15.510  -5.169  -8.943
  270    HE2  TYR  46           HE2      TYR  46 -11.671  -3.401  -9.527
  271    HH   TYR  46           HH       TYR  46 -14.858  -4.157 -10.848
  272    H    LYS  47           HN       LYS  47 -13.775  -6.661  -3.315
  273    HA   LYS  47           HA       LYS  47 -12.998  -5.763  -0.619
  274    HB2  LYS  47           HB2      LYS  47 -15.378  -6.859  -1.193
  275    HB3  LYS  47           HB1      LYS  47 -14.452  -8.331  -0.937
  276    HG2  LYS  47           HG2      LYS  47 -13.934  -6.419   1.153
  277    HG3  LYS  47           HG1      LYS  47 -15.663  -6.741   0.997
  278    HD2  LYS  47           HD2      LYS  47 -13.688  -8.993   1.038
  279    HD3  LYS  47           HD1      LYS  47 -14.234  -8.250   2.543
  280    HE2  LYS  47           HE2      LYS  47 -16.402  -8.985   2.276
  281    HE3  LYS  47           HE1      LYS  47 -16.253  -9.112   0.524
  282    HZ1  LYS  47           HZ1      LYS  47 -15.366 -11.172   0.657
  283    HZ2  LYS  47           HZ2      LYS  47 -16.227 -11.216   2.112
  284    HZ3  LYS  47           HZ3      LYS  47 -14.571 -10.879   2.121
  285    H    CYS  48           HN       CYS  48 -11.703  -7.214   0.625
  286    HA   CYS  48           HA       CYS  48  -9.772  -8.638  -0.998
  287    HB2  CYS  48           HB2      CYS  48  -9.876  -7.558   1.746
  288    HB3  CYS  48           HB1      CYS  48  -8.952  -9.045   1.568
  289    H    GLY  49           HN       GLY  49  -9.178 -10.833  -0.693
  290    HA2  GLY  49           HA2      GLY  49 -10.898 -12.508   0.952
  291    HA3  GLY  49           HA1      GLY  49 -11.033 -12.747  -0.783
  292    HA   PRO  50           HA       PRO  50  -7.547 -15.342   1.223
  293    HB2  PRO  50           HB2      PRO  50  -9.169 -17.553   0.110
  294    HB3  PRO  50           HB1      PRO  50  -8.382 -17.418   1.686
  295    HG2  PRO  50           HG2      PRO  50 -11.037 -17.218   1.442
  296    HG3  PRO  50           HG1      PRO  50 -10.140 -16.231   2.610
  297    HD2  PRO  50           HD2      PRO  50 -11.262 -15.466  -0.055
  298    HD3  PRO  50           HD1      PRO  50 -11.219 -14.539   1.459
  299    H    GLY  51           HN       GLY  51  -5.845 -16.078   0.024
  300    HA2  GLY  51           HA2      GLY  51  -4.789 -17.006  -1.869
  301    HA3  GLY  51           HA1      GLY  51  -6.256 -16.730  -2.796
  302    H    GLY  52           HN       GLY  52  -5.232 -14.082  -0.891
  303    HA2  GLY  52           HA2      GLY  52  -4.475 -11.996  -1.468
  304    HA3  GLY  52           HA1      GLY  52  -3.283 -12.861  -2.422
  305    H    THR  53           HN       THR  53  -6.808 -12.594  -2.815
  306    HA   THR  53           HA       THR  53  -6.348 -11.200  -5.363
  307    HB   THR  53           HB       THR  53  -8.276 -12.549  -6.315
  308    HG1  THR  53           HG1      THR  53  -9.188 -13.887  -4.960
  309   HG21  THR  53          HG21      THR  53  -6.861 -14.345  -7.033
  310   HG22  THR  53          HG22      THR  53  -5.822 -14.163  -5.621
  311   HG23  THR  53          HG23      THR  53  -5.854 -12.907  -6.859
  312    H    CYS  54           HN       CYS  54  -8.052  -9.878  -6.088
  313    HA   CYS  54           HA       CYS  54  -9.792  -8.943  -3.932
  314    HB2  CYS  54           HB2      CYS  54  -9.050  -7.730  -6.601
  315    HB3  CYS  54           HB1      CYS  54 -10.217  -7.014  -5.495
  316    H    ILE  55           HN       ILE  55 -11.894  -9.438  -3.878
  317    HA   ILE  55           HA       ILE  55 -13.118 -10.543  -6.317
  318    HB   ILE  55           HB       ILE  55 -14.780 -11.578  -4.707
  319   HG12  ILE  55          HG12      ILE  55 -12.633 -11.104  -2.643
  320   HG13  ILE  55          HG11      ILE  55 -14.018 -10.029  -2.809
  321   HG21  ILE  55          HG21      ILE  55 -13.597 -13.482  -4.820
  322   HG22  ILE  55          HG22      ILE  55 -12.208 -12.789  -3.984
  323   HG23  ILE  55          HG23      ILE  55 -12.432 -12.501  -5.709
  324   HD11  ILE  55          HD11      ILE  55 -15.160 -11.371  -1.481
  325   HD12  ILE  55          HD12      ILE  55 -13.819 -12.515  -1.431
  326   HD13  ILE  55          HD13      ILE  55 -15.041 -12.644  -2.696
  327    H    SER  56           HN       SER  56 -15.274  -9.983  -6.828
  328    HA   SER  56           HA       SER  56 -15.951  -7.272  -6.119
  329    HB2  SER  56           HB2      SER  56 -17.431  -7.310  -7.922
  330    HB3  SER  56           HB1      SER  56 -16.181  -8.441  -8.441
  331    HG   SER  56           HG       SER  56 -18.358  -9.220  -8.713
  Start of MODEL    5
    1    H1   ASP   1           HT1      ASP   1   2.244  15.637  -4.211
    2    H2   ASP   1           HT2      ASP   1   3.876  15.729  -3.776
    3    H3   ASP   1           HT3      ASP   1   2.682  16.223  -2.685
    4    HA   ASP   1           HA       ASP   1   2.839  13.454  -3.701
    5    HB2  ASP   1           HB2      ASP   1   4.212  14.718  -1.323
    6    HB3  ASP   1           HB1      ASP   1   3.975  12.979  -1.478
    7    H    VAL   2           HN       VAL   2   2.297  12.219  -1.339
    8    HA   VAL   2           HA       VAL   2  -0.166  13.442  -0.313
    9    HB   VAL   2           HB       VAL   2  -0.047  10.531  -1.097
   10   HG11  VAL   2          HG11      VAL   2  -1.731  11.835   0.616
   11   HG12  VAL   2          HG12      VAL   2  -2.107  10.340  -0.241
   12   HG13  VAL   2          HG13      VAL   2  -2.626  11.891  -0.902
   13   HG21  VAL   2          HG21      VAL   2  -1.809  12.210  -2.686
   14   HG22  VAL   2          HG22      VAL   2  -0.654  10.979  -3.197
   15   HG23  VAL   2          HG23      VAL   2  -0.107  12.627  -2.887
   16    H    GLN   3           HN       GLN   3   1.522  13.815   1.389
   17    HA   GLN   3           HA       GLN   3   2.973  12.345   2.955
   18    HB2  GLN   3           HB2      GLN   3   0.686  13.998   4.029
   19    HB3  GLN   3           HB1      GLN   3   2.064  13.455   4.978
   20    HG2  GLN   3           HG2      GLN   3   3.566  14.748   3.578
   21    HG3  GLN   3           HG1      GLN   3   2.209  15.258   2.572
   22   HE21  GLN   3          HE21      GLN   3   0.386  16.287   3.876
   23   HE22  GLN   3          HE22      GLN   3   0.866  17.446   5.064
   24    H    CYS   4           HN       CYS   4   2.848  10.215   3.272
   25    HA   CYS   4           HA       CYS   4   0.477   8.742   3.638
   26    HB2  CYS   4           HB2      CYS   4   3.347   8.079   4.320
   27    HB3  CYS   4           HB1      CYS   4   2.025   6.921   4.399
   28    H    GLY   5           HN       GLY   5   2.601  10.388   5.864
   29    HA2  GLY   5           HA2      GLY   5   1.118  10.989   7.917
   30    HA3  GLY   5           HA1      GLY   5   1.151   9.250   8.154
   31    H    GLY   6           HN       GLY   6   3.481  11.876   7.496
   32    HA2  GLY   6           HA2      GLY   6   5.491  12.380   8.489
   33    HA3  GLY   6           HA1      GLY   6   4.884  11.553   9.917
   34    H    GLY   7           HN       GLY   7   6.054  10.728   6.647
   35    HA2  GLY   7           HA2      GLY   7   8.290   9.295   7.428
   36    HA3  GLY   7           HA1      GLY   7   6.960   8.146   7.426
   37    H    PHE   8           HN       PHE   8   5.761   7.866   5.407
   38    HA   PHE   8           HA       PHE   8   7.582   8.082   3.120
   39    HB2  PHE   8           HB2      PHE   8   5.454   6.208   3.944
   40    HB3  PHE   8           HB1      PHE   8   5.548   6.543   2.220
   41    HD1  PHE   8           HD1      PHE   8   7.629   5.504   5.118
   42    HD2  PHE   8           HD2      PHE   8   7.076   5.394   0.899
   43    HE1  PHE   8           HE1      PHE   8   9.476   3.890   4.922
   44    HE2  PHE   8           HE2      PHE   8   8.922   3.779   0.696
   45    HZ   PHE   8           HZ       PHE   8  10.124   3.025   2.709
   46    H    SER   9           HN       SER   9   6.057   7.986   0.980
   47    HA   SER   9           HA       SER   9   3.930   9.949   1.086
   48    HB2  SER   9           HB2      SER   9   5.271  11.140  -0.906
   49    HB3  SER   9           HB1      SER   9   5.455  11.631   0.778
   50    HG   SER   9           HG       SER   9   7.114   9.754  -0.556
   51    H    CYS  10           HN       CYS  10   2.715  10.077  -0.873
   52    HA   CYS  10           HA       CYS  10   3.274   7.925  -2.799
   53    HB2  CYS  10           HB2      CYS  10   0.844   8.450  -1.198
   54    HB3  CYS  10           HB1      CYS  10   0.567   8.081  -2.895
   55    H    HIS  11           HN       HIS  11   2.754   8.329  -4.932
   56    HA   HIS  11           HA       HIS  11   2.634  11.132  -5.653
   57    HB2  HIS  11           HB2      HIS  11   3.959   9.082  -6.764
   58    HB3  HIS  11           HB1      HIS  11   2.500   9.026  -7.748
   59    HD1  HIS  11           HD1      HIS  11   2.249  10.777  -9.548
   60    HD2  HIS  11           HD2      HIS  11   5.442  11.531  -6.999
   61    HE1  HIS  11           HE1      HIS  11   3.515  12.676 -10.602
   62    HE2  HIS  11           HE2      HIS  11   5.372  13.192  -8.979
   63    H    ASP  12           HN       ASP  12   1.203  11.610  -7.703
   64    HA   ASP  12           HA       ASP  12  -1.458  11.593  -6.892
   65    HB2  ASP  12           HB2      ASP  12  -0.007  12.283  -9.385
   66    HB3  ASP  12           HB1      ASP  12  -1.738  11.997  -9.541
   67    H    GLY  13           HN       GLY  13  -2.991  10.091  -6.926
   68    HA2  GLY  13           HA2      GLY  13  -4.304   8.423  -7.992
   69    HA3  GLY  13           HA1      GLY  13  -2.917   8.006  -8.989
   70    H    GLU  14           HN       GLU  14  -1.292   8.140  -6.379
   71    HA   GLU  14           HA       GLU  14  -1.754   5.347  -5.674
   72    HB2  GLU  14           HB2      GLU  14   0.489   6.817  -4.428
   73    HB3  GLU  14           HB1      GLU  14   0.448   5.205  -5.125
   74    HG2  GLU  14           HG2      GLU  14   0.095   7.065  -7.230
   75    HG3  GLU  14           HG1      GLU  14   1.453   7.607  -6.243
   76    H    THR  15           HN       THR  15  -1.849   4.646  -3.497
   77    HA   THR  15           HA       THR  15  -2.780   6.697  -1.601
   78    HB   THR  15           HB       THR  15  -3.875   3.922  -2.081
   79    HG1  THR  15           HG1      THR  15  -4.984   6.547  -2.152
   80   HG21  THR  15          HG21      THR  15  -4.315   5.779   0.256
   81   HG22  THR  15          HG22      THR  15  -3.769   4.102   0.291
   82   HG23  THR  15          HG23      THR  15  -5.430   4.479  -0.167
   83    H    CYS  16           HN       CYS  16  -2.180   6.465   0.545
   84    HA   CYS  16           HA       CYS  16   0.155   4.784   0.977
   85    HB2  CYS  16           HB2      CYS  16  -1.096   6.962   2.661
   86    HB3  CYS  16           HB1      CYS  16   0.360   6.077   3.103
   87    H    CYS  17           HN       CYS  17  -0.033   2.839   1.855
   88    HA   CYS  17           HA       CYS  17  -2.253   2.343   3.720
   89    HB2  CYS  17           HB2      CYS  17  -2.955   0.691   2.391
   90    HB3  CYS  17           HB1      CYS  17  -1.650   1.025   1.262
   91    HA   PRO  18           HA       PRO  18   1.173   1.238   6.361
   92    HB2  PRO  18           HB2      PRO  18  -0.147   1.310   8.671
   93    HB3  PRO  18           HB1      PRO  18   0.133   2.794   7.752
   94    HG2  PRO  18           HG2      PRO  18  -2.351   1.160   8.000
   95    HG3  PRO  18           HG1      PRO  18  -2.169   2.920   7.904
   96    HD2  PRO  18           HD2      PRO  18  -2.825   1.206   5.778
   97    HD3  PRO  18           HD1      PRO  18  -2.286   2.891   5.637
   98    H    THR  19           HN       THR  19   1.267  -0.927   5.384
   99    HA   THR  19           HA       THR  19  -0.371  -3.005   6.561
  100    HB   THR  19           HB       THR  19   0.039  -3.407   4.290
  101    HG1  THR  19           HG1      THR  19   1.044  -5.362   4.358
  102   HG21  THR  19          HG21      THR  19   3.004  -3.040   4.701
  103   HG22  THR  19          HG22      THR  19   1.934  -1.752   4.144
  104   HG23  THR  19          HG23      THR  19   2.137  -3.212   3.175
  105    H    SER  20           HN       SER  20   2.226  -1.347   7.628
  106    HA   SER  20           HA       SER  20   2.955  -3.460   9.474
  107    HB2  SER  20           HB2      SER  20   5.199  -2.057   8.044
  108    HB3  SER  20           HB1      SER  20   5.256  -3.534   9.006
  109    HG   SER  20           HG       SER  20   5.141  -4.447   7.109
  110    H    GLN  21           HN       GLN  21   2.277  -0.310   8.790
  111    HA   GLN  21           HA       GLN  21   2.108   1.540  10.100
  112    HB2  GLN  21           HB2      GLN  21   2.989  -0.471  12.084
  113    HB3  GLN  21           HB1      GLN  21   3.280   1.210  12.507
  114    HG2  GLN  21           HG2      GLN  21   0.966   1.735  12.349
  115    HG3  GLN  21           HG1      GLN  21   0.598   0.160  11.646
  116   HE21  GLN  21          HE21      GLN  21   2.107  -1.461  13.317
  117   HE22  GLN  21          HE22      GLN  21   1.425  -1.422  14.903
  118    H    THR  22           HN       THR  22   5.199  -0.126  10.001
  119    HA   THR  22           HA       THR  22   6.618   2.422  10.253
  120    HB   THR  22           HB       THR  22   8.675   1.027  10.335
  121    HG1  THR  22           HG1      THR  22   7.389  -0.789   9.209
  122   HG21  THR  22          HG21      THR  22   8.463   0.624  12.570
  123   HG22  THR  22          HG22      THR  22   6.905  -0.182  12.389
  124   HG23  THR  22          HG23      THR  22   6.998   1.578  12.336
  125    H    THR  23           HN       THR  23   5.714   0.000   7.960
  126    HA   THR  23           HA       THR  23   7.334   1.346   5.896
  127    HB   THR  23           HB       THR  23   6.519  -1.072   4.792
  128    HG1  THR  23           HG1      THR  23   6.267  -1.427   7.323
  129   HG21  THR  23          HG21      THR  23   8.656  -0.846   4.199
  130   HG22  THR  23          HG22      THR  23   9.109  -1.467   5.786
  131   HG23  THR  23          HG23      THR  23   8.956   0.271   5.531
  132    H    TRP  24           HN       TRP  24   6.054   2.729   4.864
  133    HA   TRP  24           HA       TRP  24   3.228   2.175   4.496
  134    HB2  TRP  24           HB2      TRP  24   5.012   4.545   4.064
  135    HB3  TRP  24           HB1      TRP  24   3.433   4.491   3.288
  136    HD1  TRP  24           HD1      TRP  24   5.087   5.017   6.658
  137    HE1  TRP  24           HE1      TRP  24   3.297   5.724   8.370
  138    HE3  TRP  24           HE3      TRP  24   0.918   4.167   3.849
  139    HZ2  TRP  24           HZ2      TRP  24   0.478   5.893   8.503
  140    HZ3  TRP  24           HZ3      TRP  24  -1.289   4.621   4.835
  141    HH2  TRP  24           HH2      TRP  24  -1.502   5.465   7.110
  142    H    GLY  25           HN       GLY  25   2.222   1.720   2.581
  143    HA2  GLY  25           HA2      GLY  25   4.006   1.311   0.255
  144    HA3  GLY  25           HA1      GLY  25   2.616   0.298   0.611
  145    H    CYS  26           HN       CYS  26   3.306   1.852  -1.808
  146    HA   CYS  26           HA       CYS  26   1.127   3.817  -1.881
  147    HB2  CYS  26           HB2      CYS  26   3.629   3.418  -3.436
  148    HB3  CYS  26           HB1      CYS  26   2.251   4.083  -4.304
  149    H    CYS  27           HN       CYS  27  -0.732   3.396  -2.923
  150    HA   CYS  27           HA       CYS  27  -0.802   1.089  -4.750
  151    HB2  CYS  27           HB2      CYS  27  -2.465   1.690  -2.365
  152    HB3  CYS  27           HB1      CYS  27  -3.276   0.969  -3.751
  153    HA   PRO  28           HA       PRO  28  -2.464   4.274  -7.458
  154    HB2  PRO  28           HB2      PRO  28  -2.856   2.612  -9.592
  155    HB3  PRO  28           HB1      PRO  28  -1.294   3.327  -9.181
  156    HG2  PRO  28           HG2      PRO  28  -2.344   0.590  -8.577
  157    HG3  PRO  28           HG1      PRO  28  -0.731   1.072  -9.139
  158    HD2  PRO  28           HD2      PRO  28  -1.218   0.479  -6.560
  159    HD3  PRO  28           HD1      PRO  28  -0.057   1.739  -7.028
  160    H    SER  29           HN       SER  29  -4.367   4.320  -6.022
  161    HA   SER  29           HA       SER  29  -6.755   3.905  -7.411
  162    HB2  SER  29           HB2      SER  29  -5.884   1.650  -5.723
  163    HB3  SER  29           HB1      SER  29  -7.533   2.197  -5.422
  164    HG   SER  29           HG       SER  29  -6.869   0.583  -7.268
  165    HA   PRO  30           HA       PRO  30  -7.678   7.237  -4.604
  166    HB2  PRO  30           HB2      PRO  30 -10.448   6.200  -5.080
  167    HB3  PRO  30           HB1      PRO  30  -9.851   7.864  -5.108
  168    HG2  PRO  30           HG2      PRO  30 -10.285   6.566  -7.381
  169    HG3  PRO  30           HG1      PRO  30  -8.867   7.617  -7.200
  170    HD2  PRO  30           HD2      PRO  30  -9.033   4.644  -7.217
  171    HD3  PRO  30           HD1      PRO  30  -7.729   5.708  -7.781
  172    H    LYS  31           HN       LYS  31 -10.543   5.492  -3.786
  173    HA   LYS  31           HA       LYS  31  -9.626   5.258  -1.047
  174    HB2  LYS  31           HB2      LYS  31 -12.309   4.445  -2.167
  175    HB3  LYS  31           HB1      LYS  31 -11.908   4.775  -0.487
  176    HG2  LYS  31           HG2      LYS  31 -11.800   7.072  -0.835
  177    HG3  LYS  31           HG1      LYS  31 -11.631   6.895  -2.582
  178    HD2  LYS  31           HD2      LYS  31 -13.870   6.578  -2.905
  179    HD3  LYS  31           HD1      LYS  31 -14.104   5.845  -1.317
  180    HE2  LYS  31           HE2      LYS  31 -13.721   8.771  -1.931
  181    HE3  LYS  31           HE1      LYS  31 -15.194   7.989  -1.358
  182    HZ1  LYS  31           HZ1      LYS  31 -14.339   8.842   0.572
  183    HZ2  LYS  31           HZ2      LYS  31 -12.729   8.606   0.115
  184    HZ3  LYS  31           HZ3      LYS  31 -13.670   7.289   0.606
  185    H    ALA  32           HN       ALA  32  -8.118   3.601  -2.529
  186    HA   ALA  32           HA       ALA  32  -9.011   1.005  -2.976
  187    HB1  ALA  32           HB1      ALA  32  -6.737   0.368  -3.092
  188    HB2  ALA  32           HB2      ALA  32  -6.236   1.699  -2.048
  189    HB3  ALA  32           HB3      ALA  32  -6.817   2.030  -3.680
  190    H    VAL  33           HN       VAL  33  -8.400  -0.953  -1.777
  191    HA   VAL  33           HA       VAL  33  -8.649  -0.584   1.134
  192    HB   VAL  33           HB       VAL  33  -9.370  -3.240   0.216
  193   HG11  VAL  33          HG11      VAL  33 -10.870  -1.103   1.725
  194   HG12  VAL  33          HG12      VAL  33  -9.886  -2.390   2.423
  195   HG13  VAL  33          HG13      VAL  33 -11.376  -2.785   1.566
  196   HG21  VAL  33          HG21      VAL  33 -11.420  -1.259  -0.621
  197   HG22  VAL  33          HG22      VAL  33 -11.108  -2.888  -1.219
  198   HG23  VAL  33          HG23      VAL  33 -10.065  -1.554  -1.710
  199    H    CYS  34           HN       CYS  34  -6.600  -0.763   1.833
  200    HA   CYS  34           HA       CYS  34  -4.686  -2.506   0.643
  201    HB2  CYS  34           HB2      CYS  34  -3.766  -0.570   1.563
  202    HB3  CYS  34           HB1      CYS  34  -4.700  -0.712   3.048
  203    H    CYS  35           HN       CYS  35  -4.809  -4.647   0.840
  204    HA   CYS  35           HA       CYS  35  -6.101  -6.015   2.943
  205    HB2  CYS  35           HB2      CYS  35  -5.011  -6.733   0.497
  206    HB3  CYS  35           HB1      CYS  35  -3.960  -7.539   1.657
  207    H    ASP  36           HN       ASP  36  -5.472  -6.338   4.945
  208    HA   ASP  36           HA       ASP  36  -2.732  -5.684   5.699
  209    HB2  ASP  36           HB2      ASP  36  -5.234  -6.033   7.347
  210    HB3  ASP  36           HB1      ASP  36  -3.649  -5.671   8.023
  211    H    ASP  37           HN       ASP  37  -4.559  -8.538   5.157
  212    HA   ASP  37           HA       ASP  37  -3.737 -10.237   7.166
  213    HB2  ASP  37           HB2      ASP  37  -4.217 -10.691   4.226
  214    HB3  ASP  37           HB1      ASP  37  -3.759 -12.013   5.296
  215    H    MET  38           HN       MET  38  -2.026  -9.242   4.255
  216    HA   MET  38           HA       MET  38   0.489 -10.100   5.490
  217    HB2  MET  38           HB2      MET  38  -0.654 -11.005   2.912
  218    HB3  MET  38           HB1      MET  38   1.045 -10.554   2.876
  219    HG2  MET  38           HG2      MET  38  -0.203 -12.596   4.698
  220    HG3  MET  38           HG1      MET  38   0.767 -12.934   3.266
  221    HE1  MET  38           HE1      MET  38   3.203 -11.889   2.993
  222    HE2  MET  38           HE2      MET  38   3.284 -13.564   3.539
  223    HE3  MET  38           HE3      MET  38   4.336 -12.347   4.263
  224    H    GLN  39           HN       GLN  39   0.080  -8.912   2.209
  225    HA   GLN  39           HA       GLN  39   0.570  -6.177   2.915
  226    HB2  GLN  39           HB2      GLN  39   2.630  -6.296   1.216
  227    HB3  GLN  39           HB1      GLN  39   2.834  -6.488   2.951
  228    HG2  GLN  39           HG2      GLN  39   3.525  -8.592   2.743
  229    HG3  GLN  39           HG1      GLN  39   2.238  -8.995   1.608
  230   HE21  GLN  39          HE21      GLN  39   2.554  -8.439  -0.626
  231   HE22  GLN  39          HE22      GLN  39   4.153  -8.380  -1.279
  232    H    HIS  40           HN       HIS  40  -1.497  -6.060   1.764
  233    HA   HIS  40           HA       HIS  40  -1.032  -5.871  -1.118
  234    HB2  HIS  40           HB2      HIS  40  -2.572  -8.002   0.126
  235    HB3  HIS  40           HB1      HIS  40  -3.499  -7.116  -1.080
  236    HD1  HIS  40           HD1      HIS  40  -2.133  -6.861  -3.479
  237    HD2  HIS  40           HD2      HIS  40  -1.046  -9.962  -0.937
  238    HE1  HIS  40           HE1      HIS  40  -0.894  -8.508  -4.919
  239    HE2  HIS  40           HE2      HIS  40  -0.190 -10.346  -3.346
  240    H    CYS  41           HN       CYS  41  -3.386  -5.431  -2.148
  241    HA   CYS  41           HA       CYS  41  -5.203  -3.810  -0.752
  242    HB2  CYS  41           HB2      CYS  41  -4.536  -1.637  -1.152
  243    HB3  CYS  41           HB1      CYS  41  -2.971  -2.404  -0.900
  244    H    CYS  42           HN       CYS  42  -6.794  -2.808  -2.207
  245    HA   CYS  42           HA       CYS  42  -6.590  -3.608  -5.010
  246    HB2  CYS  42           HB2      CYS  42  -8.527  -4.723  -3.043
  247    HB3  CYS  42           HB1      CYS  42  -9.110  -4.390  -4.670
  248    HA   PRO  43           HA       PRO  43  -8.547   0.178  -6.045
  249    HB2  PRO  43           HB2      PRO  43 -10.519  -1.377  -7.648
  250    HB3  PRO  43           HB1      PRO  43  -9.481  -0.031  -8.135
  251    HG2  PRO  43           HG2      PRO  43  -8.875  -2.502  -8.875
  252    HG3  PRO  43           HG1      PRO  43  -7.600  -1.388  -8.340
  253    HD2  PRO  43           HD2      PRO  43  -8.892  -3.641  -6.852
  254    HD3  PRO  43           HD1      PRO  43  -7.185  -3.151  -6.893
  255    H    ALA  44           HN       ALA  44 -10.008   1.468  -5.174
  256    HA   ALA  44           HA       ALA  44 -11.640   0.897  -3.102
  257    HB1  ALA  44           HB1      ALA  44 -12.407   3.028  -3.245
  258    HB2  ALA  44           HB2      ALA  44 -12.733   2.915  -4.975
  259    HB3  ALA  44           HB3      ALA  44 -11.082   3.157  -4.401
  260    H    GLY  45           HN       GLY  45 -13.350  -0.345  -2.802
  261    HA2  GLY  45           HA2      GLY  45 -15.699  -0.730  -3.379
  262    HA3  GLY  45           HA1      GLY  45 -15.206  -0.736  -5.065
  263    H    TYR  46           HN       TYR  46 -12.731  -2.347  -3.894
  264    HA   TYR  46           HA       TYR  46 -14.076  -4.932  -4.238
  265    HB2  TYR  46           HB2      TYR  46 -11.199  -4.066  -4.492
  266    HB3  TYR  46           HB1      TYR  46 -11.659  -5.762  -4.434
  267    HD1  TYR  46           HD1      TYR  46 -11.716  -6.794  -6.480
  268    HD2  TYR  46           HD2      TYR  46 -12.842  -2.699  -6.245
  269    HE1  TYR  46           HE1      TYR  46 -12.126  -6.774  -8.904
  270    HE2  TYR  46           HE2      TYR  46 -13.256  -2.668  -8.670
  271    HH   TYR  46           HH       TYR  46 -13.643  -4.080 -10.491
  272    H    LYS  47           HN       LYS  47 -13.115  -6.770  -2.937
  273    HA   LYS  47           HA       LYS  47 -12.425  -5.898  -0.212
  274    HB2  LYS  47           HB2      LYS  47 -14.895  -6.820  -0.820
  275    HB3  LYS  47           HB1      LYS  47 -14.084  -8.334  -0.448
  276    HG2  LYS  47           HG2      LYS  47 -13.463  -6.360   1.542
  277    HG3  LYS  47           HG1      LYS  47 -15.210  -6.517   1.346
  278    HD2  LYS  47           HD2      LYS  47 -13.525  -8.974   1.546
  279    HD3  LYS  47           HD1      LYS  47 -13.920  -8.071   3.010
  280    HE2  LYS  47           HE2      LYS  47 -16.108  -8.751   1.107
  281    HE3  LYS  47           HE1      LYS  47 -15.466 -10.022   2.147
  282    HZ1  LYS  47           HZ1      LYS  47 -16.377  -7.413   3.210
  283    HZ2  LYS  47           HZ2      LYS  47 -16.085  -8.842   4.064
  284    HZ3  LYS  47           HZ3      LYS  47 -17.420  -8.733   3.033
  285    H    CYS  48           HN       CYS  48 -11.420  -7.610   1.107
  286    HA   CYS  48           HA       CYS  48  -9.506  -9.088  -0.487
  287    HB2  CYS  48           HB2      CYS  48  -9.788  -8.485   2.444
  288    HB3  CYS  48           HB1      CYS  48  -8.659  -9.716   1.888
  289    H    GLY  49           HN       GLY  49  -9.458 -11.247  -0.800
  290    HA2  GLY  49           HA2      GLY  49 -11.615 -12.814   0.471
  291    HA3  GLY  49           HA1      GLY  49 -10.990 -13.121  -1.141
  292    HA   PRO  50           HA       PRO  50  -8.746 -15.688   2.172
  293    HB2  PRO  50           HB2      PRO  50  -9.901 -18.097   1.750
  294    HB3  PRO  50           HB1      PRO  50 -10.550 -16.920   2.896
  295    HG2  PRO  50           HG2      PRO  50 -11.434 -17.536   0.105
  296    HG3  PRO  50           HG1      PRO  50 -12.415 -17.228   1.550
  297    HD2  PRO  50           HD2      PRO  50 -11.944 -15.348  -0.367
  298    HD3  PRO  50           HD1      PRO  50 -12.234 -14.949   1.338
  299    H    GLY  51           HN       GLY  51  -9.659 -16.195  -1.169
  300    HA2  GLY  51           HA2      GLY  51  -7.509 -18.076  -1.659
  301    HA3  GLY  51           HA1      GLY  51  -8.638 -17.449  -2.848
  302    H    GLY  52           HN       GLY  52  -6.966 -15.217  -0.792
  303    HA2  GLY  52           HA2      GLY  52  -5.301 -13.688  -1.202
  304    HA3  GLY  52           HA1      GLY  52  -4.657 -14.823  -2.378
  305    H    THR  53           HN       THR  53  -7.874 -14.069  -3.027
  306    HA   THR  53           HA       THR  53  -7.048 -12.061  -5.022
  307    HB   THR  53           HB       THR  53  -9.050 -12.846  -6.344
  308    HG1  THR  53           HG1      THR  53  -9.803 -14.053  -4.299
  309   HG21  THR  53          HG21      THR  53  -7.630 -14.101  -7.530
  310   HG22  THR  53          HG22      THR  53  -7.483 -15.288  -6.235
  311   HG23  THR  53          HG23      THR  53  -6.466 -13.847  -6.229
  312    H    CYS  54           HN       CYS  54  -8.820 -10.559  -5.683
  313    HA   CYS  54           HA       CYS  54 -10.302  -9.735  -3.294
  314    HB2  CYS  54           HB2      CYS  54  -9.283  -8.269  -5.701
  315    HB3  CYS  54           HB1      CYS  54 -10.592  -7.587  -4.740
  316    H    ILE  55           HN       ILE  55 -12.462  -9.035  -3.429
  317    HA   ILE  55           HA       ILE  55 -13.962 -10.272  -5.644
  318    HB   ILE  55           HB       ILE  55 -15.865 -10.067  -3.784
  319   HG12  ILE  55          HG12      ILE  55 -13.350 -10.559  -2.174
  320   HG13  ILE  55          HG11      ILE  55 -14.273  -9.062  -2.142
  321   HG21  ILE  55          HG21      ILE  55 -15.667 -12.381  -3.466
  322   HG22  ILE  55          HG22      ILE  55 -13.911 -12.340  -3.631
  323   HG23  ILE  55          HG23      ILE  55 -14.936 -12.082  -5.043
  324   HD11  ILE  55          HD11      ILE  55 -15.014 -10.178  -0.264
  325   HD12  ILE  55          HD12      ILE  55 -14.997 -11.749  -1.064
  326   HD13  ILE  55          HD13      ILE  55 -16.251 -10.573  -1.459
  327    H    SER  56           HN       SER  56 -15.717  -9.203  -6.518
  328    HA   SER  56           HA       SER  56 -15.580  -6.315  -6.361
  329    HB2  SER  56           HB2      SER  56 -17.708  -6.987  -8.043
  330    HB3  SER  56           HB1      SER  56 -16.064  -6.585  -8.536
  331    HG   SER  56           HG       SER  56 -17.005  -9.187  -7.896
  Start of MODEL    6
    1    H1   ASP   1           HT1      ASP   1   3.248  16.383  -3.965
    2    H2   ASP   1           HT2      ASP   1   4.923  16.167  -4.055
    3    H3   ASP   1           HT3      ASP   1   4.198  16.550  -2.574
    4    HA   ASP   1           HA       ASP   1   3.934  14.028  -4.104
    5    HB2  ASP   1           HB2      ASP   1   4.891  13.099  -1.961
    6    HB3  ASP   1           HB1      ASP   1   5.986  14.135  -2.870
    7    H    VAL   2           HN       VAL   2   3.032  12.363  -2.282
    8    HA   VAL   2           HA       VAL   2   0.524  13.552  -1.287
    9    HB   VAL   2           HB       VAL   2   0.716  10.668  -2.095
   10   HG11  VAL   2          HG11      VAL   2  -1.200  11.750  -0.743
   11   HG12  VAL   2          HG12      VAL   2  -1.607  10.710  -2.108
   12   HG13  VAL   2          HG13      VAL   2  -1.673  12.464  -2.284
   13   HG21  VAL   2          HG21      VAL   2  -0.537  12.333  -4.103
   14   HG22  VAL   2          HG22      VAL   2   0.698  11.087  -4.283
   15   HG23  VAL   2          HG23      VAL   2   1.165  12.740  -3.889
   16    H    GLN   3           HN       GLN   3   2.205  13.782   0.561
   17    HA   GLN   3           HA       GLN   3   3.344  12.017   2.148
   18    HB2  GLN   3           HB2      GLN   3   1.885  13.342   4.071
   19    HB3  GLN   3           HB1      GLN   3   3.384  13.906   3.350
   20    HG2  GLN   3           HG2      GLN   3   2.353  15.660   2.497
   21    HG3  GLN   3           HG1      GLN   3   1.217  14.619   1.642
   22   HE21  GLN   3          HE21      GLN   3   0.937  17.226   3.086
   23   HE22  GLN   3          HE22      GLN   3  -0.368  16.976   4.192
   24    H    CYS   4           HN       CYS   4   2.873  10.020   2.700
   25    HA   CYS   4           HA       CYS   4   0.289   8.910   2.738
   26    HB2  CYS   4           HB2      CYS   4   2.809   7.870   4.052
   27    HB3  CYS   4           HB1      CYS   4   1.365   6.927   3.697
   28    H    GLY   5           HN       GLY   5   2.442   8.923   5.554
   29    HA2  GLY   5           HA2      GLY   5   0.498  10.233   7.229
   30    HA3  GLY   5           HA1      GLY   5   0.651   8.509   7.541
   31    H    GLY   6           HN       GLY   6   2.975   7.739   7.834
   32    HA2  GLY   6           HA2      GLY   6   4.135   9.223   9.964
   33    HA3  GLY   6           HA1      GLY   6   4.807   7.780   9.215
   34    H    GLY   7           HN       GLY   7   5.635   8.241   6.864
   35    HA2  GLY   7           HA2      GLY   7   6.648  10.891   6.413
   36    HA3  GLY   7           HA1      GLY   7   7.885   9.787   6.988
   37    H    PHE   8           HN       PHE   8   5.410   8.354   5.040
   38    HA   PHE   8           HA       PHE   8   7.385   8.000   2.919
   39    HB2  PHE   8           HB2      PHE   8   4.871   6.598   3.701
   40    HB3  PHE   8           HB1      PHE   8   5.413   6.485   2.031
   41    HD1  PHE   8           HD1      PHE   8   6.745   4.712   1.477
   42    HD2  PHE   8           HD2      PHE   8   6.831   6.175   5.473
   43    HE1  PHE   8           HE1      PHE   8   8.305   2.914   2.099
   44    HE2  PHE   8           HE2      PHE   8   8.393   4.381   6.101
   45    HZ   PHE   8           HZ       PHE   8   9.132   2.747   4.413
   46    H    SER   9           HN       SER   9   6.192   7.791   0.638
   47    HA   SER   9           HA       SER   9   4.111   9.631   0.076
   48    HB2  SER   9           HB2      SER   9   6.013  10.986  -1.383
   49    HB3  SER   9           HB1      SER   9   5.307  11.543   0.133
   50    HG   SER   9           HG       SER   9   7.797  11.167  -0.262
   51    H    CYS  10           HN       CYS  10   3.686   9.840  -2.236
   52    HA   CYS  10           HA       CYS  10   5.198   8.140  -4.022
   53    HB2  CYS  10           HB2      CYS  10   2.844   7.162  -2.734
   54    HB3  CYS  10           HB1      CYS  10   2.517   7.344  -4.455
   55    H    HIS  11           HN       HIS  11   3.553   7.977  -6.161
   56    HA   HIS  11           HA       HIS  11   3.579  10.707  -7.079
   57    HB2  HIS  11           HB2      HIS  11   3.622   8.064  -8.276
   58    HB3  HIS  11           HB1      HIS  11   2.554   9.164  -9.142
   59    HD1  HIS  11           HD1      HIS  11   4.116  11.765  -8.985
   60    HD2  HIS  11           HD2      HIS  11   5.874   8.085  -9.782
   61    HE1  HIS  11           HE1      HIS  11   6.259  12.291 -10.192
   62    HE2  HIS  11           HE2      HIS  11   7.279  10.047 -10.715
   63    H    ASP  12           HN       ASP  12   1.951  11.789  -8.138
   64    HA   ASP  12           HA       ASP  12  -0.481  12.044  -6.877
   65    HB2  ASP  12           HB2      ASP  12   0.039  12.650  -9.795
   66    HB3  ASP  12           HB1      ASP  12  -1.223  13.355  -8.791
   67    H    GLY  13           HN       GLY  13  -2.509  11.204  -7.096
   68    HA2  GLY  13           HA2      GLY  13  -4.225   9.942  -8.094
   69    HA3  GLY  13           HA1      GLY  13  -3.059   9.317  -9.253
   70    H    GLU  14           HN       GLU  14  -1.503   9.054  -6.445
   71    HA   GLU  14           HA       GLU  14  -2.266   6.236  -6.158
   72    HB2  GLU  14           HB2      GLU  14  -0.180   5.858  -5.205
   73    HB3  GLU  14           HB1      GLU  14   0.159   7.126  -6.377
   74    HG2  GLU  14           HG2      GLU  14   1.240   8.003  -4.593
   75    HG3  GLU  14           HG1      GLU  14  -0.360   8.675  -4.294
   76    H    THR  15           HN       THR  15  -2.068   5.364  -3.872
   77    HA   THR  15           HA       THR  15  -3.081   7.184  -1.823
   78    HB   THR  15           HB       THR  15  -4.485   4.659  -2.711
   79    HG1  THR  15           HG1      THR  15  -5.123   6.668  -3.669
   80   HG21  THR  15          HG21      THR  15  -4.685   4.275  -0.472
   81   HG22  THR  15          HG22      THR  15  -5.987   5.453  -0.642
   82   HG23  THR  15          HG23      THR  15  -4.407   5.963  -0.047
   83    H    CYS  16           HN       CYS  16  -2.212   6.726   0.169
   84    HA   CYS  16           HA       CYS  16  -0.306   4.527   0.251
   85    HB2  CYS  16           HB2      CYS  16  -0.773   6.827   2.154
   86    HB3  CYS  16           HB1      CYS  16   0.489   5.610   2.341
   87    H    CYS  17           HN       CYS  17  -0.400   2.819   1.616
   88    HA   CYS  17           HA       CYS  17  -2.632   2.671   3.507
   89    HB2  CYS  17           HB2      CYS  17  -2.194   0.993   1.119
   90    HB3  CYS  17           HB1      CYS  17  -2.563   0.110   2.597
   91    HA   PRO  18           HA       PRO  18   0.757   1.042   5.916
   92    HB2  PRO  18           HB2      PRO  18  -0.457   1.014   8.294
   93    HB3  PRO  18           HB1      PRO  18  -0.073   2.545   7.492
   94    HG2  PRO  18           HG2      PRO  18  -2.687   1.103   7.673
   95    HG3  PRO  18           HG1      PRO  18  -2.352   2.838   7.801
   96    HD2  PRO  18           HD2      PRO  18  -3.259   1.552   5.514
   97    HD3  PRO  18           HD1      PRO  18  -2.445   3.127   5.540
   98    H    THR  19           HN       THR  19   0.932  -1.047   5.035
   99    HA   THR  19           HA       THR  19  -0.962  -3.104   5.780
  100    HB   THR  19           HB       THR  19   0.267  -4.578   4.366
  101    HG1  THR  19           HG1      THR  19   2.354  -3.054   5.094
  102   HG21  THR  19          HG21      THR  19   0.629  -3.041   2.292
  103   HG22  THR  19          HG22      THR  19  -0.053  -1.789   3.329
  104   HG23  THR  19          HG23      THR  19  -0.992  -3.235   2.959
  105    H    SER  20           HN       SER  20   1.434  -1.660   7.441
  106    HA   SER  20           HA       SER  20   1.765  -3.962   9.178
  107    HB2  SER  20           HB2      SER  20   3.868  -3.025   7.403
  108    HB3  SER  20           HB1      SER  20   4.363  -2.958   9.094
  109    HG   SER  20           HG       SER  20   3.373  -5.209   7.679
  110    H    GLN  21           HN       GLN  21   4.035  -1.345   9.330
  111    HA   GLN  21           HA       GLN  21   2.502   0.395  10.973
  112    HB2  GLN  21           HB2      GLN  21   3.455  -1.857  12.299
  113    HB3  GLN  21           HB1      GLN  21   4.623  -0.605  12.696
  114    HG2  GLN  21           HG2      GLN  21   3.148  -0.269  14.379
  115    HG3  GLN  21           HG1      GLN  21   2.424   0.785  13.166
  116   HE21  GLN  21          HE21      GLN  21   2.385  -2.721  13.709
  117   HE22  GLN  21          HE22      GLN  21   0.665  -2.874  13.721
  118    H    THR  22           HN       THR  22   5.547  -0.713   9.718
  119    HA   THR  22           HA       THR  22   6.637   2.011  10.010
  120    HB   THR  22           HB       THR  22   7.978   0.427  11.276
  121    HG1  THR  22           HG1      THR  22   9.855   0.628   9.421
  122   HG21  THR  22          HG21      THR  22   9.017  -1.491  10.330
  123   HG22  THR  22          HG22      THR  22   8.531  -1.032   8.697
  124   HG23  THR  22          HG23      THR  22   7.318  -1.564   9.862
  125    H    THR  23           HN       THR  23   5.326  -0.094   7.843
  126    HA   THR  23           HA       THR  23   6.901   0.999   5.603
  127    HB   THR  23           HB       THR  23   5.485  -1.088   4.512
  128    HG1  THR  23           HG1      THR  23   5.001  -1.655   6.808
  129   HG21  THR  23          HG21      THR  23   7.726  -2.333   4.788
  130   HG22  THR  23          HG22      THR  23   8.280  -0.859   5.582
  131   HG23  THR  23          HG23      THR  23   7.725  -0.804   3.910
  132    H    TRP  24           HN       TRP  24   5.649   1.287   3.566
  133    HA   TRP  24           HA       TRP  24   2.798   1.780   3.940
  134    HB2  TRP  24           HB2      TRP  24   4.858   3.892   3.411
  135    HB3  TRP  24           HB1      TRP  24   3.242   4.070   2.734
  136    HD1  TRP  24           HD1      TRP  24   5.150   4.286   5.996
  137    HE1  TRP  24           HE1      TRP  24   3.586   5.170   7.840
  138    HE3  TRP  24           HE3      TRP  24   0.744   4.097   3.452
  139    HZ2  TRP  24           HZ2      TRP  24   0.831   5.715   8.163
  140    HZ3  TRP  24           HZ3      TRP  24  -1.318   4.810   4.590
  141    HH2  TRP  24           HH2      TRP  24  -1.269   5.602   6.895
  142    H    GLY  25           HN       GLY  25   1.753   0.950   2.265
  143    HA2  GLY  25           HA2      GLY  25   3.219   0.486  -0.232
  144    HA3  GLY  25           HA1      GLY  25   1.727  -0.306   0.249
  145    H    CYS  26           HN       CYS  26   2.554   1.209  -2.210
  146    HA   CYS  26           HA       CYS  26   0.601   3.394  -2.159
  147    HB2  CYS  26           HB2      CYS  26   2.695   2.700  -4.230
  148    HB3  CYS  26           HB1      CYS  26   1.631   4.101  -4.284
  149    H    CYS  27           HN       CYS  27  -1.274   3.298  -3.222
  150    HA   CYS  27           HA       CYS  27  -1.723   1.041  -5.060
  151    HB2  CYS  27           HB2      CYS  27  -3.052   1.632  -2.612
  152    HB3  CYS  27           HB1      CYS  27  -4.195   1.915  -3.921
  153    HA   PRO  28           HA       PRO  28  -2.990   4.263  -7.846
  154    HB2  PRO  28           HB2      PRO  28  -3.719   2.762  -9.922
  155    HB3  PRO  28           HB1      PRO  28  -2.034   2.813  -9.388
  156    HG2  PRO  28           HG2      PRO  28  -4.110   0.717  -8.916
  157    HG3  PRO  28           HG1      PRO  28  -2.386   0.526  -9.276
  158    HD2  PRO  28           HD2      PRO  28  -3.526   0.392  -6.740
  159    HD3  PRO  28           HD1      PRO  28  -1.808   0.679  -7.079
  160    H    SER  29           HN       SER  29  -4.943   3.713  -5.842
  161    HA   SER  29           HA       SER  29  -7.346   4.298  -7.371
  162    HB2  SER  29           HB2      SER  29  -7.347   2.098  -5.292
  163    HB3  SER  29           HB1      SER  29  -8.714   2.633  -6.271
  164    HG   SER  29           HG       SER  29  -6.428   1.186  -7.047
  165    HA   PRO  30           HA       PRO  30  -8.125   7.252  -4.204
  166    HB2  PRO  30           HB2      PRO  30 -10.852   6.936  -3.837
  167    HB3  PRO  30           HB1      PRO  30 -10.104   7.903  -5.112
  168    HG2  PRO  30           HG2      PRO  30 -11.179   5.116  -5.229
  169    HG3  PRO  30           HG1      PRO  30 -11.307   6.421  -6.425
  170    HD2  PRO  30           HD2      PRO  30  -9.565   4.415  -6.741
  171    HD3  PRO  30           HD1      PRO  30  -9.149   6.076  -7.214
  172    H    LYS  31           HN       LYS  31 -10.872   5.617  -2.978
  173    HA   LYS  31           HA       LYS  31 -10.033   5.506  -0.365
  174    HB2  LYS  31           HB2      LYS  31 -12.073   3.907  -1.882
  175    HB3  LYS  31           HB1      LYS  31 -11.774   3.588  -0.179
  176    HG2  LYS  31           HG2      LYS  31 -12.478   5.759   0.447
  177    HG3  LYS  31           HG1      LYS  31 -12.483   6.312  -1.229
  178    HD2  LYS  31           HD2      LYS  31 -14.719   5.923  -0.944
  179    HD3  LYS  31           HD1      LYS  31 -14.208   4.329  -1.507
  180    HE2  LYS  31           HE2      LYS  31 -15.207   3.545   0.333
  181    HE3  LYS  31           HE1      LYS  31 -13.801   4.162   1.199
  182    HZ1  LYS  31           HZ1      LYS  31 -15.205   6.351   1.185
  183    HZ2  LYS  31           HZ2      LYS  31 -15.484   5.156   2.348
  184    HZ3  LYS  31           HZ3      LYS  31 -16.504   5.281   1.005
  185    H    ALA  32           HN       ALA  32 -10.549   2.475  -2.118
  186    HA   ALA  32           HA       ALA  32  -9.393   0.524  -2.213
  187    HB1  ALA  32           HB1      ALA  32  -7.294   0.814  -2.862
  188    HB2  ALA  32           HB2      ALA  32  -6.813   1.339  -1.249
  189    HB3  ALA  32           HB3      ALA  32  -7.437   2.512  -2.408
  190    H    VAL  33           HN       VAL  33  -9.041  -1.196  -0.888
  191    HA   VAL  33           HA       VAL  33  -9.083  -0.648   1.999
  192    HB   VAL  33           HB       VAL  33  -9.708  -3.324   0.784
  193   HG11  VAL  33          HG11      VAL  33 -11.067  -3.575   2.799
  194   HG12  VAL  33          HG12      VAL  33 -10.638  -1.939   3.298
  195   HG13  VAL  33          HG13      VAL  33  -9.394  -3.186   3.202
  196   HG21  VAL  33          HG21      VAL  33 -12.064  -1.745   1.388
  197   HG22  VAL  33          HG22      VAL  33 -11.678  -2.693  -0.048
  198   HG23  VAL  33          HG23      VAL  33 -11.104  -1.032   0.089
  199    H    CYS  34           HN       CYS  34  -7.100  -0.742   2.846
  200    HA   CYS  34           HA       CYS  34  -4.935  -2.122   1.659
  201    HB2  CYS  34           HB2      CYS  34  -4.749  -1.467   4.539
  202    HB3  CYS  34           HB1      CYS  34  -3.646  -1.093   3.221
  203    H    CYS  35           HN       CYS  35  -5.198  -4.302   1.440
  204    HA   CYS  35           HA       CYS  35  -6.401  -6.074   3.182
  205    HB2  CYS  35           HB2      CYS  35  -3.927  -6.749   1.590
  206    HB3  CYS  35           HB1      CYS  35  -5.240  -7.827   2.049
  207    H    ASP  36           HN       ASP  36  -6.040  -6.147   5.275
  208    HA   ASP  36           HA       ASP  36  -3.383  -5.749   6.367
  209    HB2  ASP  36           HB2      ASP  36  -5.601  -4.756   7.267
  210    HB3  ASP  36           HB1      ASP  36  -5.832  -6.342   7.998
  211    H    ASP  37           HN       ASP  37  -5.385  -8.442   5.552
  212    HA   ASP  37           HA       ASP  37  -4.814 -10.305   7.483
  213    HB2  ASP  37           HB2      ASP  37  -4.851 -10.803   4.497
  214    HB3  ASP  37           HB1      ASP  37  -5.116 -12.005   5.757
  215    H    MET  38           HN       MET  38  -2.817  -9.303   4.756
  216    HA   MET  38           HA       MET  38  -0.496 -10.497   6.098
  217    HB2  MET  38           HB2      MET  38  -1.582 -11.208   3.509
  218    HB3  MET  38           HB1      MET  38   0.061 -10.602   3.353
  219    HG2  MET  38           HG2      MET  38   0.533 -12.783   3.704
  220    HG3  MET  38           HG1      MET  38   0.461 -12.256   5.384
  221    HE1  MET  38           HE1      MET  38  -0.097 -15.349   5.712
  222    HE2  MET  38           HE2      MET  38  -1.467 -14.954   6.751
  223    HE3  MET  38           HE3      MET  38  -0.049 -13.904   6.720
  224    H    GLN  39           HN       GLN  39  -0.397  -8.985   2.941
  225    HA   GLN  39           HA       GLN  39   0.199  -6.376   3.963
  226    HB2  GLN  39           HB2      GLN  39   2.473  -6.372   2.757
  227    HB3  GLN  39           HB1      GLN  39   2.387  -7.143   4.334
  228    HG2  GLN  39           HG2      GLN  39   1.933  -9.296   2.910
  229    HG3  GLN  39           HG1      GLN  39   2.726  -8.360   1.643
  230   HE21  GLN  39          HE21      GLN  39   4.800  -8.763   1.479
  231   HE22  GLN  39          HE22      GLN  39   5.869  -9.180   2.770
  232    H    HIS  40           HN       HIS  40  -1.677  -6.005   2.555
  233    HA   HIS  40           HA       HIS  40  -0.794  -5.470  -0.164
  234    HB2  HIS  40           HB2      HIS  40  -2.569  -7.723   0.507
  235    HB3  HIS  40           HB1      HIS  40  -3.111  -6.713  -0.828
  236    HD1  HIS  40           HD1      HIS  40  -1.586  -9.732  -0.544
  237    HD2  HIS  40           HD2      HIS  40  -0.380  -6.241  -2.447
  238    HE1  HIS  40           HE1      HIS  40   0.085 -10.455  -2.278
  239    HE2  HIS  40           HE2      HIS  40   0.846  -8.320  -3.377
  240    H    CYS  41           HN       CYS  41  -2.955  -4.916  -1.492
  241    HA   CYS  41           HA       CYS  41  -4.791  -3.274   0.044
  242    HB2  CYS  41           HB2      CYS  41  -3.251  -1.554  -0.244
  243    HB3  CYS  41           HB1      CYS  41  -2.690  -2.177  -1.791
  244    H    CYS  42           HN       CYS  42  -6.686  -2.731  -1.134
  245    HA   CYS  42           HA       CYS  42  -6.937  -4.080  -3.741
  246    HB2  CYS  42           HB2      CYS  42  -8.560  -4.355  -1.286
  247    HB3  CYS  42           HB1      CYS  42  -9.472  -4.205  -2.784
  248    HA   PRO  43           HA       PRO  43  -8.047  -0.092  -5.347
  249    HB2  PRO  43           HB2      PRO  43  -9.826  -1.779  -7.060
  250    HB3  PRO  43           HB1      PRO  43  -8.718  -0.482  -7.524
  251    HG2  PRO  43           HG2      PRO  43  -8.021  -3.006  -7.907
  252    HG3  PRO  43           HG1      PRO  43  -6.836  -1.833  -7.300
  253    HD2  PRO  43           HD2      PRO  43  -8.305  -3.976  -5.828
  254    HD3  PRO  43           HD1      PRO  43  -6.643  -3.390  -5.611
  255    H    ALA  44           HN       ALA  44  -9.526   1.362  -4.798
  256    HA   ALA  44           HA       ALA  44 -11.524   1.024  -2.995
  257    HB1  ALA  44           HB1      ALA  44 -11.127   3.237  -3.315
  258    HB2  ALA  44           HB2      ALA  44 -12.575   3.094  -4.312
  259    HB3  ALA  44           HB3      ALA  44 -10.980   3.073  -5.065
  260    H    GLY  45           HN       GLY  45 -13.471   0.129  -2.946
  261    HA2  GLY  45           HA2      GLY  45 -15.650  -0.256  -3.846
  262    HA3  GLY  45           HA1      GLY  45 -14.958  -0.194  -5.461
  263    H    TYR  46           HN       TYR  46 -12.769  -1.948  -3.859
  264    HA   TYR  46           HA       TYR  46 -14.189  -4.486  -4.329
  265    HB2  TYR  46           HB2      TYR  46 -11.349  -3.704  -4.977
  266    HB3  TYR  46           HB1      TYR  46 -11.857  -5.386  -4.873
  267    HD1  TYR  46           HD1      TYR  46 -13.729  -6.164  -6.421
  268    HD2  TYR  46           HD2      TYR  46 -11.679  -2.472  -6.943
  269    HE1  TYR  46           HE1      TYR  46 -14.487  -6.080  -8.759
  270    HE2  TYR  46           HE2      TYR  46 -12.432  -2.379  -9.283
  271    HH   TYR  46           HH       TYR  46 -14.556  -3.458 -10.578
  272    H    LYS  47           HN       LYS  47 -13.160  -6.342  -3.130
  273    HA   LYS  47           HA       LYS  47 -12.226  -5.444  -0.481
  274    HB2  LYS  47           HB2      LYS  47 -14.607  -6.471  -0.757
  275    HB3  LYS  47           HB1      LYS  47 -13.745  -7.999  -0.878
  276    HG2  LYS  47           HG2      LYS  47 -12.728  -6.597   1.367
  277    HG3  LYS  47           HG1      LYS  47 -14.491  -6.565   1.447
  278    HD2  LYS  47           HD2      LYS  47 -12.974  -9.097   0.884
  279    HD3  LYS  47           HD1      LYS  47 -13.286  -8.548   2.533
  280    HE2  LYS  47           HE2      LYS  47 -15.368  -9.113   0.423
  281    HE3  LYS  47           HE1      LYS  47 -14.979 -10.147   1.796
  282    HZ1  LYS  47           HZ1      LYS  47 -16.265  -7.484   1.821
  283    HZ2  LYS  47           HZ2      LYS  47 -15.584  -8.157   3.214
  284    HZ3  LYS  47           HZ3      LYS  47 -16.862  -8.944   2.434
  285    H    CYS  48           HN       CYS  48 -10.835  -6.903   0.680
  286    HA   CYS  48           HA       CYS  48  -8.962  -8.235  -1.084
  287    HB2  CYS  48           HB2      CYS  48  -8.910  -7.818   1.913
  288    HB3  CYS  48           HB1      CYS  48  -7.598  -8.512   0.968
  289    H    GLY  49           HN       GLY  49  -8.277 -10.417  -0.839
  290    HA2  GLY  49           HA2      GLY  49 -10.200 -12.143   0.590
  291    HA3  GLY  49           HA1      GLY  49  -9.707 -12.498  -1.058
  292    HA   PRO  50           HA       PRO  50  -6.782 -14.527   2.030
  293    HB2  PRO  50           HB2      PRO  50  -7.434 -17.110   1.620
  294    HB3  PRO  50           HB1      PRO  50  -8.294 -16.096   2.784
  295    HG2  PRO  50           HG2      PRO  50  -9.077 -16.869   0.001
  296    HG3  PRO  50           HG1      PRO  50 -10.076 -16.787   1.463
  297    HD2  PRO  50           HD2      PRO  50 -10.032 -14.833  -0.443
  298    HD3  PRO  50           HD1      PRO  50 -10.396 -14.525   1.266
  299    H    GLY  51           HN       GLY  51  -7.702 -15.115  -1.286
  300    HA2  GLY  51           HA2      GLY  51  -5.218 -16.500  -1.901
  301    HA3  GLY  51           HA1      GLY  51  -6.523 -16.150  -3.023
  302    H    GLY  52           HN       GLY  52  -5.509 -13.503  -1.118
  303    HA2  GLY  52           HA2      GLY  52  -4.338 -11.589  -1.604
  304    HA3  GLY  52           HA1      GLY  52  -3.315 -12.584  -2.629
  305    H    THR  53           HN       THR  53  -6.778 -12.193  -3.065
  306    HA   THR  53           HA       THR  53  -6.266 -10.520  -5.433
  307    HB   THR  53           HB       THR  53  -8.477 -11.980  -6.171
  308    HG1  THR  53           HG1      THR  53  -6.652 -13.663  -4.776
  309   HG21  THR  53          HG21      THR  53  -7.100 -11.863  -7.935
  310   HG22  THR  53          HG22      THR  53  -6.386 -13.356  -7.325
  311   HG23  THR  53          HG23      THR  53  -5.663 -11.800  -6.915
  312    H    CYS  54           HN       CYS  54  -8.060  -9.220  -6.121
  313    HA   CYS  54           HA       CYS  54  -9.779  -8.459  -3.880
  314    HB2  CYS  54           HB2      CYS  54  -9.227  -7.023  -6.486
  315    HB3  CYS  54           HB1      CYS  54 -10.179  -6.391  -5.148
  316    H    ILE  55           HN       ILE  55 -11.925  -8.742  -3.877
  317    HA   ILE  55           HA       ILE  55 -13.180  -9.725  -6.358
  318    HB   ILE  55           HB       ILE  55 -14.842 -10.797  -4.640
  319   HG12  ILE  55          HG12      ILE  55 -12.311 -10.875  -3.000
  320   HG13  ILE  55          HG11      ILE  55 -13.571  -9.680  -2.717
  321   HG21  ILE  55          HG21      ILE  55 -12.130 -11.842  -5.402
  322   HG22  ILE  55          HG22      ILE  55 -13.689 -12.172  -6.158
  323   HG23  ILE  55          HG23      ILE  55 -13.323 -12.836  -4.566
  324   HD11  ILE  55          HD11      ILE  55 -14.717 -12.304  -2.833
  325   HD12  ILE  55          HD12      ILE  55 -14.735 -11.128  -1.519
  326   HD13  ILE  55          HD13      ILE  55 -13.392 -12.261  -1.669
  327    H    SER  56           HN       SER  56 -15.460  -9.262  -6.606
  328    HA   SER  56           HA       SER  56 -16.076  -6.556  -5.886
  329    HB2  SER  56           HB2      SER  56 -16.696  -7.908  -8.055
  330    HB3  SER  56           HB1      SER  56 -18.099  -8.401  -7.105
  331    HG   SER  56           HG       SER  56 -17.336  -5.693  -7.440
  Start of MODEL    7
    1    H1   ASP   1           HT1      ASP   1   3.782  16.597  -2.085
    2    H2   ASP   1           HT2      ASP   1   2.768  16.544  -3.437
    3    H3   ASP   1           HT3      ASP   1   4.430  16.286  -3.617
    4    HA   ASP   1           HA       ASP   1   3.203  14.208  -3.741
    5    HB2  ASP   1           HB2      ASP   1   4.441  13.373  -1.425
    6    HB3  ASP   1           HB1      ASP   1   5.226  13.551  -2.990
    7    H    VAL   2           HN       VAL   2   2.408  12.432  -2.131
    8    HA   VAL   2           HA       VAL   2   0.177  13.617  -0.640
    9    HB   VAL   2           HB       VAL   2   0.304  10.683  -1.072
   10   HG11  VAL   2          HG11      VAL   2  -2.018  10.824  -1.094
   11   HG12  VAL   2          HG12      VAL   2  -2.008  12.521  -1.577
   12   HG13  VAL   2          HG13      VAL   2  -1.546  12.068   0.063
   13   HG21  VAL   2          HG21      VAL   2  -0.382  12.587  -3.310
   14   HG22  VAL   2          HG22      VAL   2  -0.509  10.829  -3.350
   15   HG23  VAL   2          HG23      VAL   2   1.074  11.596  -3.229
   16    H    GLN   3           HN       GLN   3   0.406  13.791   1.484
   17    HA   GLN   3           HA       GLN   3   2.431  12.385   2.933
   18    HB2  GLN   3           HB2      GLN   3   0.744  14.637   3.367
   19    HB3  GLN   3           HB1      GLN   3   0.499  13.520   4.703
   20    HG2  GLN   3           HG2      GLN   3   2.672  13.698   5.431
   21    HG3  GLN   3           HG1      GLN   3   3.272  14.197   3.851
   22   HE21  GLN   3          HE21      GLN   3   1.976  16.316   3.131
   23   HE22  GLN   3          HE22      GLN   3   2.060  17.589   4.296
   24    H    CYS   4           HN       CYS   4   2.210  10.256   3.243
   25    HA   CYS   4           HA       CYS   4  -0.339   8.982   3.496
   26    HB2  CYS   4           HB2      CYS   4   2.229   7.644   4.263
   27    HB3  CYS   4           HB1      CYS   4   0.813   6.964   3.470
   28    H    GLY   5           HN       GLY   5   2.188   9.974   5.751
   29    HA2  GLY   5           HA2      GLY   5   0.660  10.423   7.938
   30    HA3  GLY   5           HA1      GLY   5   0.899   8.684   7.996
   31    H    GLY   6           HN       GLY   6   2.952   7.845   8.456
   32    HA2  GLY   6           HA2      GLY   6   4.493   9.192  10.304
   33    HA3  GLY   6           HA1      GLY   6   5.052   7.814   9.369
   34    H    GLY   7           HN       GLY   7   5.752   8.387   7.064
   35    HA2  GLY   7           HA2      GLY   7   6.657  11.070   6.612
   36    HA3  GLY   7           HA1      GLY   7   7.961  10.005   7.108
   37    H    PHE   8           HN       PHE   8   5.350   8.656   5.251
   38    HA   PHE   8           HA       PHE   8   7.215   8.313   3.018
   39    HB2  PHE   8           HB2      PHE   8   4.976   6.759   4.108
   40    HB3  PHE   8           HB1      PHE   8   5.000   6.848   2.353
   41    HD1  PHE   8           HD1      PHE   8   6.510   5.569   1.098
   42    HD2  PHE   8           HD2      PHE   8   7.009   5.897   5.310
   43    HE1  PHE   8           HE1      PHE   8   8.214   3.795   1.029
   44    HE2  PHE   8           HE2      PHE   8   8.715   4.126   5.251
   45    HZ   PHE   8           HZ       PHE   8   9.319   3.070   3.109
   46    H    SER   9           HN       SER   9   5.740   8.014   0.870
   47    HA   SER   9           HA       SER   9   3.630   9.852   0.486
   48    HB2  SER   9           HB2      SER   9   5.213  11.285  -1.143
   49    HB3  SER   9           HB1      SER   9   4.931  11.734   0.539
   50    HG   SER   9           HG       SER   9   7.185  11.658  -0.143
   51    H    CYS  10           HN       CYS  10   2.948   9.980  -1.756
   52    HA   CYS  10           HA       CYS  10   4.267   8.101  -3.570
   53    HB2  CYS  10           HB2      CYS  10   2.150   7.233  -2.160
   54    HB3  CYS  10           HB1      CYS  10   1.306   7.980  -3.511
   55    H    HIS  11           HN       HIS  11   2.734   8.132  -5.700
   56    HA   HIS  11           HA       HIS  11   2.983  10.851  -6.642
   57    HB2  HIS  11           HB2      HIS  11   3.140   8.283  -7.809
   58    HB3  HIS  11           HB1      HIS  11   1.802   9.112  -8.598
   59    HD1  HIS  11           HD1      HIS  11   4.080  11.673  -7.670
   60    HD2  HIS  11           HD2      HIS  11   3.970   8.841 -10.710
   61    HE1  HIS  11           HE1      HIS  11   5.642  12.530  -9.444
   62    HE2  HIS  11           HE2      HIS  11   5.491  10.846 -11.311
   63    H    ASP  12           HN       ASP  12   1.271  11.742  -8.110
   64    HA   ASP  12           HA       ASP  12  -1.070  12.244  -6.684
   65    HB2  ASP  12           HB2      ASP  12  -0.612  12.557  -9.659
   66    HB3  ASP  12           HB1      ASP  12  -1.880  13.342  -8.721
   67    H    GLY  13           HN       GLY  13  -3.042  11.329  -6.606
   68    HA2  GLY  13           HA2      GLY  13  -4.840   9.999  -7.279
   69    HA3  GLY  13           HA1      GLY  13  -3.875   9.421  -8.629
   70    H    GLU  14           HN       GLU  14  -1.813   9.071  -6.183
   71    HA   GLU  14           HA       GLU  14  -2.481   6.256  -5.861
   72    HB2  GLU  14           HB2      GLU  14  -0.076   7.809  -4.898
   73    HB3  GLU  14           HB1      GLU  14  -0.257   6.062  -4.849
   74    HG2  GLU  14           HG2      GLU  14  -0.345   7.616  -7.413
   75    HG3  GLU  14           HG1      GLU  14   1.160   7.035  -6.706
   76    H    THR  15           HN       THR  15  -2.017   5.309  -3.621
   77    HA   THR  15           HA       THR  15  -2.725   7.040  -1.395
   78    HB   THR  15           HB       THR  15  -4.341   4.533  -1.834
   79    HG1  THR  15           HG1      THR  15  -5.025   7.194  -2.615
   80   HG21  THR  15          HG21      THR  15  -5.806   5.468  -0.189
   81   HG22  THR  15          HG22      THR  15  -4.964   7.018  -0.235
   82   HG23  THR  15          HG23      THR  15  -4.161   5.597   0.436
   83    H    CYS  16           HN       CYS  16  -1.333   6.480   0.228
   84    HA   CYS  16           HA       CYS  16   0.031   3.946   0.055
   85    HB2  CYS  16           HB2      CYS  16   0.518   5.620   2.427
   86    HB3  CYS  16           HB1      CYS  16   1.657   4.910   1.289
   87    H    CYS  17           HN       CYS  17   0.319   2.619   2.020
   88    HA   CYS  17           HA       CYS  17  -1.965   2.618   3.842
   89    HB2  CYS  17           HB2      CYS  17  -1.206   0.388   1.968
   90    HB3  CYS  17           HB1      CYS  17  -2.054   0.060   3.476
   91    HA   PRO  18           HA       PRO  18   1.404   1.599   6.541
   92    HB2  PRO  18           HB2      PRO  18   0.063   1.551   8.856
   93    HB3  PRO  18           HB1      PRO  18   0.291   3.059   7.962
   94    HG2  PRO  18           HG2      PRO  18  -2.119   1.298   8.125
   95    HG3  PRO  18           HG1      PRO  18  -2.021   3.068   8.117
   96    HD2  PRO  18           HD2      PRO  18  -2.615   1.498   5.908
   97    HD3  PRO  18           HD1      PRO  18  -2.012   3.161   5.840
   98    H    THR  19           HN       THR  19   1.092  -0.610   5.215
   99    HA   THR  19           HA       THR  19  -0.155  -2.771   6.568
  100    HB   THR  19           HB       THR  19   0.896  -4.208   4.978
  101    HG1  THR  19           HG1      THR  19   2.756  -3.720   3.987
  102   HG21  THR  19          HG21      THR  19  -0.210  -1.641   4.074
  103   HG22  THR  19          HG22      THR  19  -0.655  -3.288   3.625
  104   HG23  THR  19          HG23      THR  19   0.727  -2.506   2.855
  105    H    SER  20           HN       SER  20   2.335  -0.974   7.590
  106    HA   SER  20           HA       SER  20   3.337  -3.090   9.304
  107    HB2  SER  20           HB2      SER  20   4.941  -1.796   7.168
  108    HB3  SER  20           HB1      SER  20   5.726  -1.965   8.738
  109    HG   SER  20           HG       SER  20   6.142  -3.886   7.937
  110    H    GLN  21           HN       GLN  21   5.564  -1.492  10.242
  111    HA   GLN  21           HA       GLN  21   4.042   0.597  11.647
  112    HB2  GLN  21           HB2      GLN  21   6.469  -0.987  12.495
  113    HB3  GLN  21           HB1      GLN  21   5.839   0.387  13.396
  114    HG2  GLN  21           HG2      GLN  21   3.602  -1.095  13.151
  115    HG3  GLN  21           HG1      GLN  21   4.824  -2.364  13.176
  116   HE21  GLN  21          HE21      GLN  21   4.963   0.744  14.818
  117   HE22  GLN  21          HE22      GLN  21   4.955   0.104  16.424
  118    H    THR  22           HN       THR  22   6.777  -0.040   9.636
  119    HA   THR  22           HA       THR  22   7.403   2.834   9.630
  120    HB   THR  22           HB       THR  22   9.756   2.453   9.539
  121    HG1  THR  22           HG1      THR  22   9.776  -0.252   9.963
  122   HG21  THR  22          HG21      THR  22   8.325   0.969  11.713
  123   HG22  THR  22          HG22      THR  22   9.172   2.514  11.787
  124   HG23  THR  22          HG23      THR  22  10.087   1.011  11.671
  125    H    THR  23           HN       THR  23   6.149   0.473   7.891
  126    HA   THR  23           HA       THR  23   7.403   1.373   5.381
  127    HB   THR  23           HB       THR  23   6.802  -1.332   6.346
  128    HG1  THR  23           HG1      THR  23   8.295  -0.773   4.044
  129   HG21  THR  23          HG21      THR  23   6.038  -0.567   3.525
  130   HG22  THR  23          HG22      THR  23   4.960  -1.193   4.772
  131   HG23  THR  23          HG23      THR  23   6.230  -2.220   4.108
  132    H    TRP  24           HN       TRP  24   6.080   1.871   3.661
  133    HA   TRP  24           HA       TRP  24   3.176   1.828   4.155
  134    HB2  TRP  24           HB2      TRP  24   4.923   4.121   3.320
  135    HB3  TRP  24           HB1      TRP  24   3.248   4.058   2.780
  136    HD1  TRP  24           HD1      TRP  24   5.357   4.522   5.930
  137    HE1  TRP  24           HE1      TRP  24   3.861   5.486   7.790
  138    HE3  TRP  24           HE3      TRP  24   0.856   4.176   3.577
  139    HZ2  TRP  24           HZ2      TRP  24   1.112   6.026   8.193
  140    HZ3  TRP  24           HZ3      TRP  24  -1.163   4.932   4.755
  141    HH2  TRP  24           HH2      TRP  24  -1.035   5.836   7.010
  142    H    GLY  25           HN       GLY  25   2.097   0.834   2.561
  143    HA2  GLY  25           HA2      GLY  25   3.481   0.275   0.049
  144    HA3  GLY  25           HA1      GLY  25   1.992  -0.477   0.599
  145    H    CYS  26           HN       CYS  26   2.904   1.043  -1.905
  146    HA   CYS  26           HA       CYS  26   0.976   3.230  -1.936
  147    HB2  CYS  26           HB2      CYS  26   3.286   2.421  -3.621
  148    HB3  CYS  26           HB1      CYS  26   1.986   3.309  -4.410
  149    H    CYS  27           HN       CYS  27  -0.945   3.154  -2.861
  150    HA   CYS  27           HA       CYS  27  -1.620   0.834  -4.550
  151    HB2  CYS  27           HB2      CYS  27  -2.753   1.448  -2.129
  152    HB3  CYS  27           HB1      CYS  27  -3.853   2.240  -3.248
  153    HA   PRO  28           HA       PRO  28  -2.626   4.021  -7.509
  154    HB2  PRO  28           HB2      PRO  28  -3.268   2.142  -9.496
  155    HB3  PRO  28           HB1      PRO  28  -1.685   2.860  -9.207
  156    HG2  PRO  28           HG2      PRO  28  -2.404   0.156  -8.851
  157    HG3  PRO  28           HG1      PRO  28  -0.896   0.929  -8.341
  158    HD2  PRO  28           HD2      PRO  28  -3.316   0.262  -6.751
  159    HD3  PRO  28           HD1      PRO  28  -1.616   0.362  -6.243
  160    H    SER  29           HN       SER  29  -4.647   3.890  -5.789
  161    HA   SER  29           HA       SER  29  -6.999   3.842  -7.516
  162    HB2  SER  29           HB2      SER  29  -7.574   2.713  -4.873
  163    HB3  SER  29           HB1      SER  29  -8.091   2.167  -6.468
  164    HG   SER  29           HG       SER  29  -5.495   1.746  -5.406
  165    HA   PRO  30           HA       PRO  30  -8.212   7.512  -5.399
  166    HB2  PRO  30           HB2      PRO  30 -10.862   7.066  -4.800
  167    HB3  PRO  30           HB1      PRO  30 -10.266   7.565  -6.386
  168    HG2  PRO  30           HG2      PRO  30 -11.004   4.839  -5.410
  169    HG3  PRO  30           HG1      PRO  30 -11.320   5.592  -6.984
  170    HD2  PRO  30           HD2      PRO  30  -9.350   3.795  -6.645
  171    HD3  PRO  30           HD1      PRO  30  -9.178   5.171  -7.755
  172    H    LYS  31           HN       LYS  31 -10.129   4.996  -3.726
  173    HA   LYS  31           HA       LYS  31  -9.325   6.141  -1.165
  174    HB2  LYS  31           HB2      LYS  31 -11.258   3.873  -1.655
  175    HB3  LYS  31           HB1      LYS  31 -11.079   4.822  -0.187
  176    HG2  LYS  31           HG2      LYS  31 -11.779   6.829  -1.555
  177    HG3  LYS  31           HG1      LYS  31 -12.230   5.685  -2.821
  178    HD2  LYS  31           HD2      LYS  31 -13.249   5.340  -0.027
  179    HD3  LYS  31           HD1      LYS  31 -14.030   6.474  -1.129
  180    HE2  LYS  31           HE2      LYS  31 -14.178   4.556  -2.776
  181    HE3  LYS  31           HE1      LYS  31 -13.701   3.501  -1.447
  182    HZ1  LYS  31           HZ1      LYS  31 -16.221   4.879  -1.913
  183    HZ2  LYS  31           HZ2      LYS  31 -15.697   4.811  -0.306
  184    HZ3  LYS  31           HZ3      LYS  31 -15.924   3.383  -1.181
  185    H    ALA  32           HN       ALA  32  -9.427   2.973  -2.755
  186    HA   ALA  32           HA       ALA  32  -8.111   1.136  -2.621
  187    HB1  ALA  32           HB1      ALA  32  -5.936   1.576  -2.681
  188    HB2  ALA  32           HB2      ALA  32  -5.937   2.181  -1.025
  189    HB3  ALA  32           HB3      ALA  32  -6.356   3.258  -2.357
  190    H    VAL  33           HN       VAL  33  -8.262  -0.596  -1.372
  191    HA   VAL  33           HA       VAL  33  -8.742  -0.220   1.506
  192    HB   VAL  33           HB       VAL  33  -9.322  -2.795   0.088
  193   HG11  VAL  33          HG11      VAL  33  -9.468  -2.354   2.621
  194   HG12  VAL  33          HG12      VAL  33 -10.810  -3.184   1.834
  195   HG13  VAL  33          HG13      VAL  33 -10.944  -1.472   2.230
  196   HG21  VAL  33          HG21      VAL  33 -10.430  -1.320  -1.381
  197   HG22  VAL  33          HG22      VAL  33 -10.981  -0.291  -0.059
  198   HG23  VAL  33          HG23      VAL  33 -11.672  -1.899  -0.272
  199    H    CYS  34           HN       CYS  34  -6.929  -0.534   2.642
  200    HA   CYS  34           HA       CYS  34  -4.718  -2.025   1.663
  201    HB2  CYS  34           HB2      CYS  34  -5.020  -1.307   4.553
  202    HB3  CYS  34           HB1      CYS  34  -3.575  -1.287   3.546
  203    H    CYS  35           HN       CYS  35  -5.042  -4.188   1.372
  204    HA   CYS  35           HA       CYS  35  -6.541  -5.879   3.032
  205    HB2  CYS  35           HB2      CYS  35  -5.340  -6.247   0.661
  206    HB3  CYS  35           HB1      CYS  35  -4.124  -6.994   1.691
  207    H    ASP  36           HN       ASP  36  -6.222  -6.281   5.085
  208    HA   ASP  36           HA       ASP  36  -3.577  -5.920   6.252
  209    HB2  ASP  36           HB2      ASP  36  -4.687  -5.814   8.384
  210    HB3  ASP  36           HB1      ASP  36  -5.552  -4.787   7.244
  211    H    ASP  37           HN       ASP  37  -5.523  -8.562   5.228
  212    HA   ASP  37           HA       ASP  37  -5.074 -10.489   7.141
  213    HB2  ASP  37           HB2      ASP  37  -5.460 -10.505   4.197
  214    HB3  ASP  37           HB1      ASP  37  -4.786 -11.971   4.905
  215    H    MET  38           HN       MET  38  -2.938  -9.359   4.586
  216    HA   MET  38           HA       MET  38  -0.672 -10.548   6.017
  217    HB2  MET  38           HB2      MET  38  -1.248 -10.742   3.060
  218    HB3  MET  38           HB1      MET  38   0.349 -11.024   3.739
  219    HG2  MET  38           HG2      MET  38  -1.098 -12.669   5.285
  220    HG3  MET  38           HG1      MET  38  -2.070 -12.700   3.815
  221    HE1  MET  38           HE1      MET  38   0.136 -15.831   4.498
  222    HE2  MET  38           HE2      MET  38  -0.376 -14.583   5.634
  223    HE3  MET  38           HE3      MET  38   1.328 -14.737   5.201
  224    H    GLN  39           HN       GLN  39  -0.483  -8.975   2.888
  225    HA   GLN  39           HA       GLN  39   0.050  -6.375   3.978
  226    HB2  GLN  39           HB2      GLN  39   2.222  -7.438   4.368
  227    HB3  GLN  39           HB1      GLN  39   2.287  -7.960   2.691
  228    HG2  GLN  39           HG2      GLN  39   2.039  -5.361   2.257
  229    HG3  GLN  39           HG1      GLN  39   2.751  -5.281   3.869
  230   HE21  GLN  39          HE21      GLN  39   4.856  -5.011   3.803
  231   HE22  GLN  39          HE22      GLN  39   5.940  -5.687   2.639
  232    H    HIS  40           HN       HIS  40  -1.800  -6.013   2.520
  233    HA   HIS  40           HA       HIS  40  -0.855  -5.477  -0.191
  234    HB2  HIS  40           HB2      HIS  40  -2.944  -7.524   0.451
  235    HB3  HIS  40           HB1      HIS  40  -3.017  -6.638  -1.066
  236    HD1  HIS  40           HD1      HIS  40  -0.918  -6.962  -2.691
  237    HD2  HIS  40           HD2      HIS  40  -1.177  -9.614   0.499
  238    HE1  HIS  40           HE1      HIS  40   0.611  -8.871  -3.276
  239    HE2  HIS  40           HE2      HIS  40   0.386 -10.495  -1.364
  240    H    CYS  41           HN       CYS  41  -2.972  -4.873  -1.549
  241    HA   CYS  41           HA       CYS  41  -4.932  -3.324  -0.151
  242    HB2  CYS  41           HB2      CYS  41  -4.323  -1.152  -0.862
  243    HB3  CYS  41           HB1      CYS  41  -2.833  -1.847  -0.239
  244    H    CYS  42           HN       CYS  42  -6.656  -2.697  -1.572
  245    HA   CYS  42           HA       CYS  42  -6.413  -3.699  -4.326
  246    HB2  CYS  42           HB2      CYS  42  -7.606  -5.267  -2.627
  247    HB3  CYS  42           HB1      CYS  42  -8.936  -4.119  -2.749
  248    HA   PRO  43           HA       PRO  43  -8.022   0.138  -5.787
  249    HB2  PRO  43           HB2      PRO  43  -9.845  -1.633  -7.368
  250    HB3  PRO  43           HB1      PRO  43  -8.889  -0.244  -7.899
  251    HG2  PRO  43           HG2      PRO  43  -8.057  -2.718  -8.398
  252    HG3  PRO  43           HG1      PRO  43  -6.907  -1.452  -7.932
  253    HD2  PRO  43           HD2      PRO  43  -7.944  -3.743  -6.350
  254    HD3  PRO  43           HD1      PRO  43  -6.374  -2.925  -6.258
  255    H    ALA  44           HN       ALA  44  -9.381   1.439  -4.820
  256    HA   ALA  44           HA       ALA  44 -11.255   0.909  -2.958
  257    HB1  ALA  44           HB1      ALA  44 -11.841   3.106  -3.044
  258    HB2  ALA  44           HB2      ALA  44 -11.940   3.128  -4.804
  259    HB3  ALA  44           HB3      ALA  44 -10.366   3.174  -4.009
  260    H    GLY  45           HN       GLY  45 -13.043  -0.252  -2.928
  261    HA2  GLY  45           HA2      GLY  45 -15.362  -0.386  -3.706
  262    HA3  GLY  45           HA1      GLY  45 -14.737  -0.274  -5.346
  263    H    TYR  46           HN       TYR  46 -12.507  -2.162  -4.006
  264    HA   TYR  46           HA       TYR  46 -13.987  -4.606  -4.704
  265    HB2  TYR  46           HB2      TYR  46 -11.067  -3.884  -4.838
  266    HB3  TYR  46           HB1      TYR  46 -11.600  -5.560  -4.888
  267    HD1  TYR  46           HD1      TYR  46 -14.209  -4.812  -6.491
  268    HD2  TYR  46           HD2      TYR  46 -10.069  -4.002  -7.042
  269    HE1  TYR  46           HE1      TYR  46 -14.576  -4.620  -8.913
  270    HE2  TYR  46           HE2      TYR  46 -10.424  -3.808  -9.466
  271    HH   TYR  46           HH       TYR  46 -12.602  -4.955 -11.105
  272    H    LYS  47           HN       LYS  47 -13.060  -6.607  -3.561
  273    HA   LYS  47           HA       LYS  47 -12.535  -6.017  -0.728
  274    HB2  LYS  47           HB2      LYS  47 -14.901  -6.584  -0.982
  275    HB3  LYS  47           HB1      LYS  47 -14.472  -8.071  -1.813
  276    HG2  LYS  47           HG2      LYS  47 -13.249  -7.776   0.831
  277    HG3  LYS  47           HG1      LYS  47 -15.013  -7.864   0.841
  278    HD2  LYS  47           HD2      LYS  47 -14.458  -9.857  -0.880
  279    HD3  LYS  47           HD1      LYS  47 -13.010  -9.916   0.127
  280    HE2  LYS  47           HE2      LYS  47 -14.516 -11.384   1.163
  281    HE3  LYS  47           HE1      LYS  47 -14.603  -9.905   2.119
  282    HZ1  LYS  47           HZ1      LYS  47 -16.654  -9.339   1.163
  283    HZ2  LYS  47           HZ2      LYS  47 -16.782 -10.989   1.515
  284    HZ3  LYS  47           HZ3      LYS  47 -16.505 -10.484  -0.075
  285    H    CYS  48           HN       CYS  48 -11.301  -7.553   0.400
  286    HA   CYS  48           HA       CYS  48  -9.542  -9.120  -1.293
  287    HB2  CYS  48           HB2      CYS  48  -9.427  -7.927   1.369
  288    HB3  CYS  48           HB1      CYS  48  -8.793  -9.568   1.343
  289    H    GLY  49           HN       GLY  49 -10.272 -11.083  -1.883
  290    HA2  GLY  49           HA2      GLY  49 -12.046 -12.587  -0.153
  291    HA3  GLY  49           HA1      GLY  49 -11.515 -13.049  -1.764
  292    HA   PRO  50           HA       PRO  50  -9.239 -15.371   1.777
  293    HB2  PRO  50           HB2      PRO  50 -10.686 -17.704   0.677
  294    HB3  PRO  50           HB1      PRO  50 -10.421 -17.236   2.359
  295    HG2  PRO  50           HG2      PRO  50 -12.826 -16.989   1.213
  296    HG3  PRO  50           HG1      PRO  50 -12.232 -15.797   2.384
  297    HD2  PRO  50           HD2      PRO  50 -12.352 -15.627  -0.604
  298    HD3  PRO  50           HD1      PRO  50 -12.700 -14.377   0.610
  299    H    GLY  51           HN       GLY  51  -7.366 -16.476   1.372
  300    HA2  GLY  51           HA2      GLY  51  -5.731 -17.590   0.181
  301    HA3  GLY  51           HA1      GLY  51  -6.929 -17.933  -1.058
  302    H    GLY  52           HN       GLY  52  -6.318 -14.666  -0.004
  303    HA2  GLY  52           HA2      GLY  52  -5.435 -12.848  -1.097
  304    HA3  GLY  52           HA1      GLY  52  -4.301 -13.970  -1.838
  305    H    THR  53           HN       THR  53  -7.117 -12.057  -2.280
  306    HA   THR  53           HA       THR  53  -6.992 -12.243  -5.098
  307    HB   THR  53           HB       THR  53  -9.614 -13.065  -4.927
  308    HG1  THR  53           HG1      THR  53  -9.500 -15.011  -3.670
  309   HG21  THR  53          HG21      THR  53  -7.390 -13.801  -6.302
  310   HG22  THR  53          HG22      THR  53  -8.942 -14.630  -6.408
  311   HG23  THR  53          HG23      THR  53  -7.684 -15.248  -5.338
  312    H    CYS  54           HN       CYS  54  -9.083 -11.122  -6.049
  313    HA   CYS  54           HA       CYS  54 -10.170  -9.186  -4.145
  314    HB2  CYS  54           HB2      CYS  54  -8.405  -8.587  -6.459
  315    HB3  CYS  54           HB1      CYS  54  -9.773  -7.511  -6.198
  316    H    ILE  55           HN       ILE  55 -12.284  -8.920  -4.402
  317    HA   ILE  55           HA       ILE  55 -13.483  -9.377  -7.043
  318    HB   ILE  55           HB       ILE  55 -15.401 -10.546  -5.869
  319   HG12  ILE  55          HG12      ILE  55 -13.372 -11.118  -3.715
  320   HG13  ILE  55          HG11      ILE  55 -14.526  -9.796  -3.568
  321   HG21  ILE  55          HG21      ILE  55 -13.588 -11.632  -7.253
  322   HG22  ILE  55          HG22      ILE  55 -14.414 -12.682  -6.101
  323   HG23  ILE  55          HG23      ILE  55 -12.806 -12.060  -5.731
  324   HD11  ILE  55          HD11      ILE  55 -15.919 -12.172  -4.306
  325   HD12  ILE  55          HD12      ILE  55 -16.072 -11.196  -2.844
  326   HD13  ILE  55          HD13      ILE  55 -14.889 -12.502  -2.912
  327    H    SER  56           HN       SER  56 -16.133  -9.048  -6.370
  328    HA   SER  56           HA       SER  56 -16.245  -6.436  -5.031
  329    HB2  SER  56           HB2      SER  56 -16.206  -5.981  -7.422
  330    HB3  SER  56           HB1      SER  56 -17.519  -7.128  -7.688
  331    HG   SER  56           HG       SER  56 -17.613  -4.656  -6.307
  Start of MODEL    8
    1    H1   ASP   1           HT1      ASP   1   2.859  15.939  -5.962
    2    H2   ASP   1           HT2      ASP   1   3.138  16.960  -4.643
    3    H3   ASP   1           HT3      ASP   1   1.569  16.426  -4.981
    4    HA   ASP   1           HA       ASP   1   2.589  14.081  -4.690
    5    HB2  ASP   1           HB2      ASP   1   4.350  15.554  -2.766
    6    HB3  ASP   1           HB1      ASP   1   4.550  13.945  -3.453
    7    H    VAL   2           HN       VAL   2   1.514  13.041  -3.081
    8    HA   VAL   2           HA       VAL   2   0.210  14.731  -1.047
    9    HB   VAL   2           HB       VAL   2  -0.819  12.027  -1.838
   10   HG11  VAL   2          HG11      VAL   2  -2.044  12.681  -0.040
   11   HG12  VAL   2          HG12      VAL   2  -2.982  13.477  -1.304
   12   HG13  VAL   2          HG13      VAL   2  -1.808  14.399  -0.363
   13   HG21  VAL   2          HG21      VAL   2  -1.379  12.694  -3.876
   14   HG22  VAL   2          HG22      VAL   2  -0.632  14.266  -3.589
   15   HG23  VAL   2          HG23      VAL   2  -2.328  14.006  -3.177
   16    H    GLN   3           HN       GLN   3   2.200  14.428   0.231
   17    HA   GLN   3           HA       GLN   3   3.400  12.193   1.113
   18    HB2  GLN   3           HB2      GLN   3   3.477  13.386   3.423
   19    HB3  GLN   3           HB1      GLN   3   4.246  14.140   2.034
   20    HG2  GLN   3           HG2      GLN   3   2.664  15.792   1.877
   21    HG3  GLN   3           HG1      GLN   3   1.421  14.827   2.671
   22   HE21  GLN   3          HE21      GLN   3   4.727  15.528   3.697
   23   HE22  GLN   3          HE22      GLN   3   4.293  16.329   5.166
   24    H    CYS   4           HN       CYS   4   3.124  10.609   2.656
   25    HA   CYS   4           HA       CYS   4   0.380   9.879   3.186
   26    HB2  CYS   4           HB2      CYS   4   1.959   8.154   2.512
   27    HB3  CYS   4           HB1      CYS   4   2.957   8.477   3.929
   28    H    GLY   5           HN       GLY   5   3.259  10.146   5.277
   29    HA2  GLY   5           HA2      GLY   5   1.807  11.591   7.287
   30    HA3  GLY   5           HA1      GLY   5   2.088   9.917   7.728
   31    H    GLY   6           HN       GLY   6   3.902   9.473   8.762
   32    HA2  GLY   6           HA2      GLY   6   6.082  11.460   8.626
   33    HA3  GLY   6           HA1      GLY   6   5.730  10.473  10.039
   34    H    GLY   7           HN       GLY   7   6.556  10.109   6.585
   35    HA2  GLY   7           HA2      GLY   7   8.899   8.723   6.898
   36    HA3  GLY   7           HA1      GLY   7   7.653   7.493   7.001
   37    H    PHE   8           HN       PHE   8   5.935   7.774   5.105
   38    HA   PHE   8           HA       PHE   8   7.541   8.002   2.645
   39    HB2  PHE   8           HB2      PHE   8   5.210   6.237   3.354
   40    HB3  PHE   8           HB1      PHE   8   5.760   6.454   1.695
   41    HD1  PHE   8           HD1      PHE   8   7.403   5.807   4.995
   42    HD2  PHE   8           HD2      PHE   8   7.016   4.729   0.896
   43    HE1  PHE   8           HE1      PHE   8   9.086   4.040   5.304
   44    HE2  PHE   8           HE2      PHE   8   8.697   2.959   1.198
   45    HZ   PHE   8           HZ       PHE   8   9.735   2.613   3.405
   46    H    SER   9           HN       SER   9   5.795   7.996   0.711
   47    HA   SER   9           HA       SER   9   3.626   9.849   1.077
   48    HB2  SER   9           HB2      SER   9   5.483  10.864  -0.977
   49    HB3  SER   9           HB1      SER   9   4.518  11.748   0.204
   50    HG   SER   9           HG       SER   9   6.760  11.944   0.608
   51    H    CYS  10           HN       CYS  10   2.450  10.190  -0.996
   52    HA   CYS  10           HA       CYS  10   3.017   8.055  -2.939
   53    HB2  CYS  10           HB2      CYS  10   0.491   8.686  -1.496
   54    HB3  CYS  10           HB1      CYS  10   0.359   8.206  -3.183
   55    H    HIS  11           HN       HIS  11   2.208   8.435  -5.088
   56    HA   HIS  11           HA       HIS  11   2.497  11.213  -5.843
   57    HB2  HIS  11           HB2      HIS  11   1.927   8.914  -7.709
   58    HB3  HIS  11           HB1      HIS  11   2.725  10.439  -8.074
   59    HD1  HIS  11           HD1      HIS  11   3.542   7.056  -7.716
   60    HD2  HIS  11           HD2      HIS  11   5.245  10.564  -6.278
   61    HE1  HIS  11           HE1      HIS  11   5.919   6.465  -7.142
   62    HE2  HIS  11           HE2      HIS  11   6.927   8.599  -6.263
   63    H    ASP  12           HN       ASP  12   0.996  11.950  -7.721
   64    HA   ASP  12           HA       ASP  12  -1.555  12.349  -6.683
   65    HB2  ASP  12           HB2      ASP  12  -0.682  13.904  -8.276
   66    HB3  ASP  12           HB1      ASP  12  -0.478  12.643  -9.488
   67    H    GLY  13           HN       GLY  13  -3.318  11.126  -6.613
   68    HA2  GLY  13           HA2      GLY  13  -4.973   9.720  -7.523
   69    HA3  GLY  13           HA1      GLY  13  -3.823   9.187  -8.737
   70    H    GLU  14           HN       GLU  14  -1.922   8.880  -6.236
   71    HA   GLU  14           HA       GLU  14  -2.663   6.092  -5.830
   72    HB2  GLU  14           HB2      GLU  14  -0.234   7.223  -4.552
   73    HB3  GLU  14           HB1      GLU  14  -0.470   5.671  -5.339
   74    HG2  GLU  14           HG2      GLU  14  -0.724   7.686  -7.311
   75    HG3  GLU  14           HG1      GLU  14   0.725   8.027  -6.363
   76    H    THR  15           HN       THR  15  -2.194   5.192  -3.577
   77    HA   THR  15           HA       THR  15  -3.025   7.026  -1.447
   78    HB   THR  15           HB       THR  15  -4.286   4.317  -1.941
   79    HG1  THR  15           HG1      THR  15  -4.926   6.817  -2.811
   80   HG21  THR  15          HG21      THR  15  -3.977   5.717   0.450
   81   HG22  THR  15          HG22      THR  15  -5.098   4.391   0.139
   82   HG23  THR  15          HG23      THR  15  -5.629   6.062  -0.061
   83    H    CYS  16           HN       CYS  16  -2.000   6.636   0.484
   84    HA   CYS  16           HA       CYS  16   0.025   4.550   0.447
   85    HB2  CYS  16           HB2      CYS  16   1.129   5.709   2.159
   86    HB3  CYS  16           HB1      CYS  16   0.458   6.979   1.140
   87    H    CYS  17           HN       CYS  17  -0.081   2.713   1.532
   88    HA   CYS  17           HA       CYS  17  -2.133   2.416   3.622
   89    HB2  CYS  17           HB2      CYS  17  -1.433   0.618   1.323
   90    HB3  CYS  17           HB1      CYS  17  -2.103  -0.062   2.802
   91    HA   PRO  18           HA       PRO  18   1.394   1.040   5.960
   92    HB2  PRO  18           HB2      PRO  18   0.202   0.693   8.310
   93    HB3  PRO  18           HB1      PRO  18   0.321   2.306   7.597
   94    HG2  PRO  18           HG2      PRO  18  -2.013   0.429   7.644
   95    HG3  PRO  18           HG1      PRO  18  -1.980   2.181   7.915
   96    HD2  PRO  18           HD2      PRO  18  -2.651   0.965   5.516
   97    HD3  PRO  18           HD1      PRO  18  -2.086   2.638   5.683
   98    H    THR  19           HN       THR  19   2.245  -0.912   5.574
   99    HA   THR  19           HA       THR  19   0.594  -3.299   5.643
  100    HB   THR  19           HB       THR  19   2.293  -4.416   4.525
  101    HG1  THR  19           HG1      THR  19   4.487  -3.704   4.600
  102   HG21  THR  19          HG21      THR  19   2.208  -1.525   3.792
  103   HG22  THR  19          HG22      THR  19   1.648  -2.933   2.888
  104   HG23  THR  19          HG23      THR  19   3.373  -2.573   2.981
  105    H    SER  20           HN       SER  20   2.423  -1.586   7.870
  106    HA   SER  20           HA       SER  20   2.339  -3.814   9.721
  107    HB2  SER  20           HB2      SER  20   4.964  -2.368   9.416
  108    HB3  SER  20           HB1      SER  20   4.632  -3.878  10.266
  109    HG   SER  20           HG       SER  20   5.432  -3.567   7.770
  110    H    GLN  21           HN       GLN  21   4.464  -1.088  10.169
  111    HA   GLN  21           HA       GLN  21   2.557   0.601  11.462
  112    HB2  GLN  21           HB2      GLN  21   3.550  -1.483  13.030
  113    HB3  GLN  21           HB1      GLN  21   4.514  -0.087  13.497
  114    HG2  GLN  21           HG2      GLN  21   2.333   1.153  13.795
  115    HG3  GLN  21           HG1      GLN  21   1.534  -0.410  13.635
  116   HE21  GLN  21          HE21      GLN  21   0.789   0.238  15.821
  117   HE22  GLN  21          HE22      GLN  21   1.771  -0.206  17.170
  118    H    THR  22           HN       THR  22   5.661  -0.198  10.336
  119    HA   THR  22           HA       THR  22   6.542   2.589  10.705
  120    HB   THR  22           HB       THR  22   8.818   1.899  10.969
  121    HG1  THR  22           HG1      THR  22   8.914   0.112   9.616
  122   HG21  THR  22          HG21      THR  22   7.233   0.001  12.691
  123   HG22  THR  22          HG22      THR  22   7.262   1.743  12.961
  124   HG23  THR  22          HG23      THR  22   8.753   0.810  13.077
  125    H    THR  23           HN       THR  23   5.532   0.354   8.552
  126    HA   THR  23           HA       THR  23   7.259   1.358   6.387
  127    HB   THR  23           HB       THR  23   6.322  -0.634   5.094
  128    HG1  THR  23           HG1      THR  23   4.732  -1.537   6.204
  129   HG21  THR  23          HG21      THR  23   8.013  -2.092   5.891
  130   HG22  THR  23          HG22      THR  23   7.952  -1.394   7.511
  131   HG23  THR  23          HG23      THR  23   8.612  -0.457   6.171
  132    H    TRP  24           HN       TRP  24   6.134   1.525   4.237
  133    HA   TRP  24           HA       TRP  24   3.284   2.062   4.334
  134    HB2  TRP  24           HB2      TRP  24   5.360   4.200   4.113
  135    HB3  TRP  24           HB1      TRP  24   3.870   4.372   3.194
  136    HD1  TRP  24           HD1      TRP  24   5.293   5.087   6.514
  137    HE1  TRP  24           HE1      TRP  24   3.444   5.800   8.162
  138    HE3  TRP  24           HE3      TRP  24   1.225   3.717   3.780
  139    HZ2  TRP  24           HZ2      TRP  24   0.626   5.782   8.276
  140    HZ3  TRP  24           HZ3      TRP  24  -1.018   4.113   4.714
  141    HH2  TRP  24           HH2      TRP  24  -1.308   5.113   6.918
  142    H    GLY  25           HN       GLY  25   2.301   1.915   2.346
  143    HA2  GLY  25           HA2      GLY  25   4.086   1.487   0.028
  144    HA3  GLY  25           HA1      GLY  25   2.719   0.431   0.348
  145    H    CYS  26           HN       CYS  26   3.077   1.831  -2.078
  146    HA   CYS  26           HA       CYS  26   0.933   3.848  -1.920
  147    HB2  CYS  26           HB2      CYS  26   3.399   3.667  -3.581
  148    HB3  CYS  26           HB1      CYS  26   1.973   4.392  -4.314
  149    H    CYS  27           HN       CYS  27  -0.896   3.537  -3.034
  150    HA   CYS  27           HA       CYS  27  -1.003   1.270  -4.912
  151    HB2  CYS  27           HB2      CYS  27  -2.392   1.536  -2.512
  152    HB3  CYS  27           HB1      CYS  27  -3.573   1.982  -3.738
  153    HA   PRO  28           HA       PRO  28  -2.218   4.532  -7.721
  154    HB2  PRO  28           HB2      PRO  28  -2.519   3.003  -9.925
  155    HB3  PRO  28           HB1      PRO  28  -0.931   3.434  -9.279
  156    HG2  PRO  28           HG2      PRO  28  -2.482   0.895  -8.961
  157    HG3  PRO  28           HG1      PRO  28  -0.752   1.117  -9.280
  158    HD2  PRO  28           HD2      PRO  28  -1.754   0.565  -6.808
  159    HD3  PRO  28           HD1      PRO  28  -0.266   1.498  -7.067
  160    H    SER  29           HN       SER  29  -4.241   3.269  -5.983
  161    HA   SER  29           HA       SER  29  -6.527   3.280  -7.841
  162    HB2  SER  29           HB2      SER  29  -5.789   1.385  -5.833
  163    HB3  SER  29           HB1      SER  29  -7.284   2.171  -5.326
  164    HG   SER  29           HG       SER  29  -6.770   0.750  -7.718
  165    HA   PRO  30           HA       PRO  30  -8.227   6.929  -6.051
  166    HB2  PRO  30           HB2      PRO  30 -10.708   5.342  -5.564
  167    HB3  PRO  30           HB1      PRO  30 -10.510   6.901  -6.374
  168    HG2  PRO  30           HG2      PRO  30 -10.915   4.685  -7.789
  169    HG3  PRO  30           HG1      PRO  30  -9.783   5.929  -8.352
  170    HD2  PRO  30           HD2      PRO  30  -9.222   3.275  -7.113
  171    HD3  PRO  30           HD1      PRO  30  -8.323   4.148  -8.369
  172    H    LYS  31           HN       LYS  31 -10.087   4.514  -4.246
  173    HA   LYS  31           HA       LYS  31  -9.196   5.724  -1.745
  174    HB2  LYS  31           HB2      LYS  31 -11.624   5.251  -2.183
  175    HB3  LYS  31           HB1      LYS  31 -11.240   3.535  -2.170
  176    HG2  LYS  31           HG2      LYS  31 -10.390   3.820   0.158
  177    HG3  LYS  31           HG1      LYS  31 -11.004   5.475   0.116
  178    HD2  LYS  31           HD2      LYS  31 -13.254   4.475  -0.488
  179    HD3  LYS  31           HD1      LYS  31 -12.565   2.908  -0.063
  180    HE2  LYS  31           HE2      LYS  31 -12.126   3.671   2.189
  181    HE3  LYS  31           HE1      LYS  31 -12.684   5.292   1.779
  182    HZ1  LYS  31           HZ1      LYS  31 -14.890   4.435   1.418
  183    HZ2  LYS  31           HZ2      LYS  31 -14.365   3.983   2.962
  184    HZ3  LYS  31           HZ3      LYS  31 -14.372   2.850   1.706
  185    H    ALA  32           HN       ALA  32  -9.597   2.452  -3.060
  186    HA   ALA  32           HA       ALA  32  -8.413   0.539  -2.849
  187    HB1  ALA  32           HB1      ALA  32  -6.472   1.447  -3.651
  188    HB2  ALA  32           HB2      ALA  32  -5.947   0.886  -2.063
  189    HB3  ALA  32           HB3      ALA  32  -6.322   2.591  -2.317
  190    H    VAL  33           HN       VAL  33  -8.642  -0.994  -1.400
  191    HA   VAL  33           HA       VAL  33  -8.728  -0.293   1.442
  192    HB   VAL  33           HB       VAL  33  -9.501  -2.893   0.100
  193   HG11  VAL  33          HG11      VAL  33  -9.058  -2.240   2.821
  194   HG12  VAL  33          HG12      VAL  33  -9.678  -3.746   2.142
  195   HG13  VAL  33          HG13      VAL  33 -10.794  -2.457   2.595
  196   HG21  VAL  33          HG21      VAL  33 -11.692  -2.184  -0.012
  197   HG22  VAL  33          HG22      VAL  33 -10.828  -0.693  -0.386
  198   HG23  VAL  33          HG23      VAL  33 -11.471  -0.957   1.235
  199    H    CYS  34           HN       CYS  34  -6.937  -0.558   2.597
  200    HA   CYS  34           HA       CYS  34  -4.660  -1.914   1.598
  201    HB2  CYS  34           HB2      CYS  34  -4.995  -1.197   4.489
  202    HB3  CYS  34           HB1      CYS  34  -3.546  -1.137   3.492
  203    H    CYS  35           HN       CYS  35  -5.117  -4.105   1.239
  204    HA   CYS  35           HA       CYS  35  -6.378  -5.871   2.955
  205    HB2  CYS  35           HB2      CYS  35  -5.132  -6.101   0.540
  206    HB3  CYS  35           HB1      CYS  35  -3.996  -6.953   1.581
  207    H    ASP  36           HN       ASP  36  -5.968  -5.972   5.053
  208    HA   ASP  36           HA       ASP  36  -3.233  -5.793   6.031
  209    HB2  ASP  36           HB2      ASP  36  -5.610  -4.772   6.967
  210    HB3  ASP  36           HB1      ASP  36  -5.334  -6.147   8.033
  211    H    ASP  37           HN       ASP  37  -5.532  -8.292   5.363
  212    HA   ASP  37           HA       ASP  37  -5.047 -10.122   7.373
  213    HB2  ASP  37           HB2      ASP  37  -6.034 -10.190   4.637
  214    HB3  ASP  37           HB1      ASP  37  -5.127 -11.646   5.035
  215    H    MET  38           HN       MET  38  -3.181  -9.425   4.475
  216    HA   MET  38           HA       MET  38  -0.922 -10.907   5.639
  217    HB2  MET  38           HB2      MET  38  -0.257 -11.042   3.073
  218    HB3  MET  38           HB1      MET  38  -1.298 -12.249   3.816
  219    HG2  MET  38           HG2      MET  38  -3.217 -11.380   2.824
  220    HG3  MET  38           HG1      MET  38  -2.442  -9.840   2.457
  221    HE1  MET  38           HE1      MET  38  -2.960 -13.613   0.558
  222    HE2  MET  38           HE2      MET  38  -3.673 -12.358  -0.454
  223    HE3  MET  38           HE3      MET  38  -4.042 -12.416   1.270
  224    H    GLN  39           HN       GLN  39  -0.544  -9.223   2.644
  225    HA   GLN  39           HA       GLN  39   0.204  -6.716   3.842
  226    HB2  GLN  39           HB2      GLN  39   2.279  -8.564   2.655
  227    HB3  GLN  39           HB1      GLN  39   2.528  -6.831   2.796
  228    HG2  GLN  39           HG2      GLN  39   1.910  -7.272   5.308
  229    HG3  GLN  39           HG1      GLN  39   2.418  -8.912   4.914
  230   HE21  GLN  39          HE21      GLN  39   4.565  -9.300   4.359
  231   HE22  GLN  39          HE22      GLN  39   5.822  -8.169   4.714
  232    H    HIS  40           HN       HIS  40  -1.562  -6.114   2.350
  233    HA   HIS  40           HA       HIS  40  -0.485  -5.389  -0.224
  234    HB2  HIS  40           HB2      HIS  40  -1.539  -7.900  -0.138
  235    HB3  HIS  40           HB1      HIS  40  -2.929  -6.955  -0.662
  236    HD1  HIS  40           HD1      HIS  40  -3.099  -7.102  -3.116
  237    HD2  HIS  40           HD2      HIS  40   0.854  -6.823  -1.866
  238    HE1  HIS  40           HE1      HIS  40  -1.730  -7.046  -5.224
  239    HE2  HIS  40           HE2      HIS  40   0.664  -6.944  -4.443
  240    H    CYS  41           HN       CYS  41  -2.526  -4.812  -1.721
  241    HA   CYS  41           HA       CYS  41  -4.522  -3.306  -0.220
  242    HB2  CYS  41           HB2      CYS  41  -3.148  -1.484  -0.437
  243    HB3  CYS  41           HB1      CYS  41  -2.328  -2.135  -1.851
  244    H    CYS  42           HN       CYS  42  -6.415  -2.894  -1.416
  245    HA   CYS  42           HA       CYS  42  -6.539  -4.234  -4.034
  246    HB2  CYS  42           HB2      CYS  42  -8.045  -4.719  -1.626
  247    HB3  CYS  42           HB1      CYS  42  -9.126  -4.222  -2.924
  248    HA   PRO  43           HA       PRO  43  -8.122  -0.549  -5.836
  249    HB2  PRO  43           HB2      PRO  43 -10.029  -1.531  -7.535
  250    HB3  PRO  43           HB1      PRO  43  -8.293  -1.598  -7.855
  251    HG2  PRO  43           HG2      PRO  43 -10.103  -3.719  -6.763
  252    HG3  PRO  43           HG1      PRO  43  -8.813  -3.861  -7.973
  253    HD2  PRO  43           HD2      PRO  43  -8.438  -4.604  -5.419
  254    HD3  PRO  43           HD1      PRO  43  -7.139  -3.858  -6.373
  255    H    ALA  44           HN       ALA  44  -9.474   0.960  -5.191
  256    HA   ALA  44           HA       ALA  44 -11.339   0.784  -3.227
  257    HB1  ALA  44           HB1      ALA  44 -12.098   2.935  -3.826
  258    HB2  ALA  44           HB2      ALA  44 -11.688   2.692  -5.525
  259    HB3  ALA  44           HB3      ALA  44 -10.407   2.869  -4.324
  260    H    GLY  45           HN       GLY  45 -13.373   0.070  -2.986
  261    HA2  GLY  45           HA2      GLY  45 -15.607  -0.269  -3.714
  262    HA3  GLY  45           HA1      GLY  45 -15.031  -0.315  -5.372
  263    H    TYR  46           HN       TYR  46 -12.823  -2.175  -3.963
  264    HA   TYR  46           HA       TYR  46 -14.466  -4.602  -4.260
  265    HB2  TYR  46           HB2      TYR  46 -11.540  -4.160  -4.879
  266    HB3  TYR  46           HB1      TYR  46 -12.326  -5.734  -4.900
  267    HD1  TYR  46           HD1      TYR  46 -13.144  -6.525  -6.906
  268    HD2  TYR  46           HD2      TYR  46 -12.716  -2.324  -6.387
  269    HE1  TYR  46           HE1      TYR  46 -13.810  -6.174  -9.246
  270    HE2  TYR  46           HE2      TYR  46 -13.382  -1.962  -8.727
  271    HH   TYR  46           HH       TYR  46 -13.292  -4.118 -11.019
  272    H    LYS  47           HN       LYS  47 -13.575  -6.515  -3.064
  273    HA   LYS  47           HA       LYS  47 -12.494  -5.699  -0.449
  274    HB2  LYS  47           HB2      LYS  47 -14.968  -6.372  -0.554
  275    HB3  LYS  47           HB1      LYS  47 -14.388  -8.006  -0.848
  276    HG2  LYS  47           HG2      LYS  47 -13.026  -6.919   1.415
  277    HG3  LYS  47           HG1      LYS  47 -14.766  -6.712   1.619
  278    HD2  LYS  47           HD2      LYS  47 -13.462  -9.319   0.850
  279    HD3  LYS  47           HD1      LYS  47 -13.855  -8.869   2.510
  280    HE2  LYS  47           HE2      LYS  47 -15.780  -9.222   0.217
  281    HE3  LYS  47           HE1      LYS  47 -15.608 -10.268   1.626
  282    HZ1  LYS  47           HZ1      LYS  47 -16.431  -7.419   1.757
  283    HZ2  LYS  47           HZ2      LYS  47 -16.418  -8.531   3.031
  284    HZ3  LYS  47           HZ3      LYS  47 -17.511  -8.721   1.755
  285    H    CYS  48           HN       CYS  48 -11.317  -7.383   0.710
  286    HA   CYS  48           HA       CYS  48  -9.639  -8.902  -1.102
  287    HB2  CYS  48           HB2      CYS  48  -9.496  -8.064   1.752
  288    HB3  CYS  48           HB1      CYS  48  -8.595  -9.500   1.277
  289    H    GLY  49           HN       GLY  49  -9.335 -11.134  -1.060
  290    HA2  GLY  49           HA2      GLY  49 -11.141 -12.705   0.641
  291    HA3  GLY  49           HA1      GLY  49 -11.242 -12.913  -1.101
  292    HA   PRO  50           HA       PRO  50  -7.981 -15.749   0.982
  293    HB2  PRO  50           HB2      PRO  50  -9.746 -17.856  -0.116
  294    HB3  PRO  50           HB1      PRO  50  -8.959 -17.757   1.461
  295    HG2  PRO  50           HG2      PRO  50 -11.590 -17.376   1.207
  296    HG3  PRO  50           HG1      PRO  50 -10.630 -16.431   2.361
  297    HD2  PRO  50           HD2      PRO  50 -11.682 -15.641  -0.328
  298    HD3  PRO  50           HD1      PRO  50 -11.594 -14.692   1.172
  299    H    GLY  51           HN       GLY  51  -6.384 -16.820  -0.172
  300    HA2  GLY  51           HA2      GLY  51  -5.475 -17.888  -2.085
  301    HA3  GLY  51           HA1      GLY  51  -6.800 -17.242  -3.042
  302    H    GLY  52           HN       GLY  52  -6.549 -14.533  -2.081
  303    HA2  GLY  52           HA2      GLY  52  -4.846 -12.800  -2.069
  304    HA3  GLY  52           HA1      GLY  52  -3.907 -13.796  -3.172
  305    H    THR  53           HN       THR  53  -7.361 -13.221  -3.443
  306    HA   THR  53           HA       THR  53  -6.866 -11.518  -5.795
  307    HB   THR  53           HB       THR  53  -8.501 -12.623  -7.092
  308    HG1  THR  53           HG1      THR  53  -9.416 -13.458  -4.633
  309   HG21  THR  53          HG21      THR  53  -7.543 -14.699  -7.451
  310   HG22  THR  53          HG22      THR  53  -7.312 -15.006  -5.729
  311   HG23  THR  53          HG23      THR  53  -6.263 -13.865  -6.570
  312    H    CYS  54           HN       CYS  54  -8.617 -10.083  -6.347
  313    HA   CYS  54           HA       CYS  54 -10.111  -9.252  -3.975
  314    HB2  CYS  54           HB2      CYS  54  -8.646  -7.802  -5.788
  315    HB3  CYS  54           HB1      CYS  54 -10.293  -7.554  -6.360
  316    H    ILE  55           HN       ILE  55 -12.284  -9.234  -3.856
  317    HA   ILE  55           HA       ILE  55 -13.789 -10.127  -6.231
  318    HB   ILE  55           HB       ILE  55 -15.394 -11.147  -4.504
  319   HG12  ILE  55          HG12      ILE  55 -13.064 -11.571  -2.730
  320   HG13  ILE  55          HG11      ILE  55 -13.774  -9.960  -2.684
  321   HG21  ILE  55          HG21      ILE  55 -13.587 -12.256  -6.057
  322   HG22  ILE  55          HG22      ILE  55 -14.446 -13.202  -4.841
  323   HG23  ILE  55          HG23      ILE  55 -12.811 -12.625  -4.516
  324   HD11  ILE  55          HD11      ILE  55 -14.588 -11.960  -1.127
  325   HD12  ILE  55          HD12      ILE  55 -15.647 -12.233  -2.512
  326   HD13  ILE  55          HD13      ILE  55 -15.662 -10.678  -1.682
  327    H    SER  56           HN       SER  56 -16.122  -9.563  -6.156
  328    HA   SER  56           HA       SER  56 -16.534  -6.978  -4.801
  329    HB2  SER  56           HB2      SER  56 -17.690  -6.148  -6.668
  330    HB3  SER  56           HB1      SER  56 -16.346  -7.037  -7.385
  331    HG   SER  56           HG       SER  56 -17.694  -8.509  -8.129
  Start of MODEL    9
    1    H1   ASP   1           HT1      ASP   1   2.021  16.637  -4.211
    2    H2   ASP   1           HT2      ASP   1   3.229  16.368  -5.365
    3    H3   ASP   1           HT3      ASP   1   3.650  16.660  -3.753
    4    HA   ASP   1           HA       ASP   1   2.591  14.234  -4.996
    5    HB2  ASP   1           HB2      ASP   1   4.676  14.919  -2.916
    6    HB3  ASP   1           HB1      ASP   1   4.230  13.263  -3.316
    7    H    VAL   2           HN       VAL   2   2.129  12.475  -3.277
    8    HA   VAL   2           HA       VAL   2   0.053  13.552  -1.512
    9    HB   VAL   2           HB       VAL   2   0.546  10.667  -2.257
   10   HG11  VAL   2          HG11      VAL   2  -1.102  11.881  -0.302
   11   HG12  VAL   2          HG12      VAL   2  -1.024  10.181  -0.766
   12   HG13  VAL   2          HG13      VAL   2  -2.152  11.266  -1.578
   13   HG21  VAL   2          HG21      VAL   2  -0.640  10.913  -4.143
   14   HG22  VAL   2          HG22      VAL   2  -0.246  12.626  -3.987
   15   HG23  VAL   2          HG23      VAL   2  -1.790  12.017  -3.389
   16    H    GLN   3           HN       GLN   3   1.028  14.173   0.342
   17    HA   GLN   3           HA       GLN   3   3.159  12.805   1.596
   18    HB2  GLN   3           HB2      GLN   3   2.247  15.252   1.892
   19    HB3  GLN   3           HB1      GLN   3   1.260  14.519   3.150
   20    HG2  GLN   3           HG2      GLN   3   3.713  13.529   3.757
   21    HG3  GLN   3           HG1      GLN   3   4.126  15.114   3.104
   22   HE21  GLN   3          HE21      GLN   3   2.527  13.386   5.647
   23   HE22  GLN   3          HE22      GLN   3   2.292  14.736   6.700
   24    H    CYS   4           HN       CYS   4   3.004  10.801   2.356
   25    HA   CYS   4           HA       CYS   4   0.514   9.727   3.333
   26    HB2  CYS   4           HB2      CYS   4   3.307   8.547   3.232
   27    HB3  CYS   4           HB1      CYS   4   1.871   7.672   3.756
   28    H    GLY   5           HN       GLY   5   3.396  11.117   4.641
   29    HA2  GLY   5           HA2      GLY   5   3.031  12.114   6.910
   30    HA3  GLY   5           HA1      GLY   5   2.439  10.524   7.373
   31    H    GLY   6           HN       GLY   6   4.475  11.611   8.824
   32    HA2  GLY   6           HA2      GLY   6   7.084  11.298   8.120
   33    HA3  GLY   6           HA1      GLY   6   6.481  10.888   9.719
   34    H    GLY   7           HN       GLY   7   7.354   9.656   6.567
   35    HA2  GLY   7           HA2      GLY   7   8.427   7.277   7.390
   36    HA3  GLY   7           HA1      GLY   7   6.721   6.927   7.169
   37    H    PHE   8           HN       PHE   8   5.802   7.590   4.978
   38    HA   PHE   8           HA       PHE   8   7.834   7.028   2.913
   39    HB2  PHE   8           HB2      PHE   8   5.133   5.949   3.404
   40    HB3  PHE   8           HB1      PHE   8   5.515   6.303   1.723
   41    HD1  PHE   8           HD1      PHE   8   6.766   4.455   4.694
   42    HD2  PHE   8           HD2      PHE   8   6.771   4.821   0.454
   43    HE1  PHE   8           HE1      PHE   8   7.993   2.329   4.515
   44    HE2  PHE   8           HE2      PHE   8   7.996   2.696   0.267
   45    HZ   PHE   8           HZ       PHE   8   8.609   1.447   2.298
   46    H    SER   9           HN       SER   9   6.625   7.465   0.659
   47    HA   SER   9           HA       SER   9   5.059   9.818   0.440
   48    HB2  SER   9           HB2      SER   9   7.194  10.841  -0.941
   49    HB3  SER   9           HB1      SER   9   6.733  11.327   0.690
   50    HG   SER   9           HG       SER   9   8.612  10.608   1.266
   51    H    CYS  10           HN       CYS  10   4.316  10.088  -1.692
   52    HA   CYS  10           HA       CYS  10   5.496   8.385  -3.754
   53    HB2  CYS  10           HB2      CYS  10   2.942   7.895  -2.422
   54    HB3  CYS  10           HB1      CYS  10   2.812   7.962  -4.174
   55    H    HIS  11           HN       HIS  11   3.827   8.618  -5.777
   56    HA   HIS  11           HA       HIS  11   4.019  11.429  -6.454
   57    HB2  HIS  11           HB2      HIS  11   2.993   9.342  -8.338
   58    HB3  HIS  11           HB1      HIS  11   3.946  10.783  -8.681
   59    HD1  HIS  11           HD1      HIS  11   4.241   7.191  -7.980
   60    HD2  HIS  11           HD2      HIS  11   6.742  10.508  -8.008
   61    HE1  HIS  11           HE1      HIS  11   6.579   6.267  -7.990
   62    HE2  HIS  11           HE2      HIS  11   8.075   8.294  -7.907
   63    H    ASP  12           HN       ASP  12   2.379  12.623  -7.477
   64    HA   ASP  12           HA       ASP  12  -0.044  12.766  -6.163
   65    HB2  ASP  12           HB2      ASP  12  -0.805  14.020  -8.305
   66    HB3  ASP  12           HB1      ASP  12   0.536  14.681  -7.374
   67    H    GLY  13           HN       GLY  13  -2.001  11.820  -6.364
   68    HA2  GLY  13           HA2      GLY  13  -3.721  10.688  -7.554
   69    HA3  GLY  13           HA1      GLY  13  -2.515  10.128  -8.705
   70    H    GLU  14           HN       GLU  14  -1.055   9.696  -5.842
   71    HA   GLU  14           HA       GLU  14  -1.724   6.856  -5.810
   72    HB2  GLU  14           HB2      GLU  14   0.200   6.574  -4.433
   73    HB3  GLU  14           HB1      GLU  14   0.637   7.729  -5.687
   74    HG2  GLU  14           HG2      GLU  14   1.409   8.974  -4.012
   75    HG3  GLU  14           HG1      GLU  14  -0.283   9.368  -3.719
   76    H    THR  15           HN       THR  15  -1.828   5.800  -3.586
   77    HA   THR  15           HA       THR  15  -3.388   7.418  -1.689
   78    HB   THR  15           HB       THR  15  -4.069   4.597  -2.551
   79    HG1  THR  15           HG1      THR  15  -4.826   5.996  -4.096
   80   HG21  THR  15          HG21      THR  15  -4.709   6.094  -0.176
   81   HG22  THR  15          HG22      THR  15  -5.113   4.427  -0.588
   82   HG23  THR  15          HG23      THR  15  -6.173   5.742  -1.095
   83    H    CYS  16           HN       CYS  16  -2.719   7.231   0.359
   84    HA   CYS  16           HA       CYS  16  -0.567   5.361   0.936
   85    HB2  CYS  16           HB2      CYS  16  -1.688   7.507   2.737
   86    HB3  CYS  16           HB1      CYS  16  -0.132   6.690   2.886
   87    H    CYS  17           HN       CYS  17  -0.948   3.452   1.808
   88    HA   CYS  17           HA       CYS  17  -3.201   3.189   3.686
   89    HB2  CYS  17           HB2      CYS  17  -4.136   1.735   2.261
   90    HB3  CYS  17           HB1      CYS  17  -2.726   1.768   1.214
   91    HA   PRO  18           HA       PRO  18   0.252   1.844   6.204
   92    HB2  PRO  18           HB2      PRO  18  -0.962   1.991   8.576
   93    HB3  PRO  18           HB1      PRO  18  -0.570   3.456   7.663
   94    HG2  PRO  18           HG2      PRO  18  -3.189   2.022   7.905
   95    HG3  PRO  18           HG1      PRO  18  -2.856   3.764   7.974
   96    HD2  PRO  18           HD2      PRO  18  -3.757   2.448   5.730
   97    HD3  PRO  18           HD1      PRO  18  -2.844   3.969   5.695
   98    H    THR  19           HN       THR  19  -0.143  -0.278   5.012
   99    HA   THR  19           HA       THR  19  -1.668  -2.244   6.523
  100    HB   THR  19           HB       THR  19  -1.814  -2.292   4.078
  101    HG1  THR  19           HG1      THR  19  -1.504  -4.314   5.629
  102   HG21  THR  19          HG21      THR  19   1.011  -1.982   4.238
  103   HG22  THR  19          HG22      THR  19  -0.014  -1.985   2.803
  104   HG23  THR  19          HG23      THR  19   0.668  -3.498   3.402
  105    H    SER  20           HN       SER  20   1.246  -0.939   6.995
  106    HA   SER  20           HA       SER  20   2.403  -3.489   7.914
  107    HB2  SER  20           HB2      SER  20   4.039  -1.100   7.065
  108    HB3  SER  20           HB1      SER  20   4.595  -2.747   7.362
  109    HG   SER  20           HG       SER  20   2.695  -2.180   5.356
  110    H    GLN  21           HN       GLN  21   4.499  -2.588   9.374
  111    HA   GLN  21           HA       GLN  21   3.152  -1.467  11.687
  112    HB2  GLN  21           HB2      GLN  21   5.166  -3.368  11.322
  113    HB3  GLN  21           HB1      GLN  21   5.980  -1.988  12.044
  114    HG2  GLN  21           HG2      GLN  21   3.514  -3.295  13.166
  115    HG3  GLN  21           HG1      GLN  21   5.162  -3.633  13.692
  116   HE21  GLN  21          HE21      GLN  21   2.459  -1.904  14.369
  117   HE22  GLN  21          HE22      GLN  21   3.153  -0.635  15.314
  118    H    THR  22           HN       THR  22   6.163  -0.794   9.887
  119    HA   THR  22           HA       THR  22   5.873   2.028  10.678
  120    HB   THR  22           HB       THR  22   7.711   0.934  11.938
  121    HG1  THR  22           HG1      THR  22   9.274   2.556  11.361
  122   HG21  THR  22          HG21      THR  22   9.309  -0.312  10.978
  123   HG22  THR  22          HG22      THR  22   9.547   0.848   9.672
  124   HG23  THR  22          HG23      THR  22   8.258  -0.350   9.562
  125    H    THR  23           HN       THR  23   5.159   0.475   8.194
  126    HA   THR  23           HA       THR  23   6.691   2.139   6.303
  127    HB   THR  23           HB       THR  23   7.079   0.438   4.883
  128    HG1  THR  23           HG1      THR  23   5.511  -0.975   4.232
  129   HG21  THR  23          HG21      THR  23   6.917  -1.889   6.053
  130   HG22  THR  23          HG22      THR  23   6.501  -0.935   7.476
  131   HG23  THR  23          HG23      THR  23   8.045  -0.680   6.665
  132    H    TRP  24           HN       TRP  24   5.394   2.110   4.081
  133    HA   TRP  24           HA       TRP  24   2.525   2.441   4.584
  134    HB2  TRP  24           HB2      TRP  24   4.455   4.561   3.750
  135    HB3  TRP  24           HB1      TRP  24   2.840   4.585   3.052
  136    HD1  TRP  24           HD1      TRP  24   4.715   5.303   6.258
  137    HE1  TRP  24           HE1      TRP  24   3.106   6.376   7.957
  138    HE3  TRP  24           HE3      TRP  24   0.338   4.594   3.757
  139    HZ2  TRP  24           HZ2      TRP  24   0.334   6.864   8.192
  140    HZ3  TRP  24           HZ3      TRP  24  -1.756   5.387   4.777
  141    HH2  TRP  24           HH2      TRP  24  -1.754   6.494   6.950
  142    H    GLY  25           HN       GLY  25   1.345   1.557   3.007
  143    HA2  GLY  25           HA2      GLY  25   2.706   0.610   0.616
  144    HA3  GLY  25           HA1      GLY  25   1.085   0.179   1.122
  145    H    CYS  26           HN       CYS  26   2.579   1.450  -1.304
  146    HA   CYS  26           HA       CYS  26   0.908   3.798  -1.748
  147    HB2  CYS  26           HB2      CYS  26   3.443   3.567  -2.304
  148    HB3  CYS  26           HB1      CYS  26   2.882   2.699  -3.728
  149    H    CYS  27           HN       CYS  27  -1.076   3.438  -2.510
  150    HA   CYS  27           HA       CYS  27  -1.454   1.298  -4.499
  151    HB2  CYS  27           HB2      CYS  27  -2.784   1.685  -2.100
  152    HB3  CYS  27           HB1      CYS  27  -3.895   2.351  -3.294
  153    HA   PRO  28           HA       PRO  28  -2.402   4.598  -7.334
  154    HB2  PRO  28           HB2      PRO  28  -3.135   3.116  -9.449
  155    HB3  PRO  28           HB1      PRO  28  -1.455   3.192  -8.903
  156    HG2  PRO  28           HG2      PRO  28  -3.510   1.071  -8.416
  157    HG3  PRO  28           HG1      PRO  28  -1.796   0.894  -8.835
  158    HD2  PRO  28           HD2      PRO  28  -2.775   0.661  -6.286
  159    HD3  PRO  28           HD1      PRO  28  -1.115   1.161  -6.664
  160    H    SER  29           HN       SER  29  -4.699   2.079  -6.515
  161    HA   SER  29           HA       SER  29  -6.968   3.001  -7.836
  162    HB2  SER  29           HB2      SER  29  -6.445   1.300  -5.461
  163    HB3  SER  29           HB1      SER  29  -8.072   1.965  -5.606
  164    HG   SER  29           HG       SER  29  -8.443   0.551  -7.100
  165    HA   PRO  30           HA       PRO  30  -8.355   6.787  -6.058
  166    HB2  PRO  30           HB2      PRO  30 -10.898   5.367  -5.395
  167    HB3  PRO  30           HB1      PRO  30 -10.654   6.897  -6.243
  168    HG2  PRO  30           HG2      PRO  30 -11.271   4.695  -7.596
  169    HG3  PRO  30           HG1      PRO  30 -10.092   5.852  -8.241
  170    HD2  PRO  30           HD2      PRO  30  -9.639   3.186  -6.982
  171    HD3  PRO  30           HD1      PRO  30  -8.750   3.981  -8.298
  172    H    LYS  31           HN       LYS  31 -10.282   4.568  -4.085
  173    HA   LYS  31           HA       LYS  31  -9.197   5.796  -1.677
  174    HB2  LYS  31           HB2      LYS  31 -11.337   3.671  -1.857
  175    HB3  LYS  31           HB1      LYS  31 -11.004   4.744  -0.505
  176    HG2  LYS  31           HG2      LYS  31 -11.513   6.421  -2.681
  177    HG3  LYS  31           HG1      LYS  31 -12.722   5.139  -2.767
  178    HD2  LYS  31           HD2      LYS  31 -12.547   5.854  -0.060
  179    HD3  LYS  31           HD1      LYS  31 -12.554   7.371  -0.963
  180    HE2  LYS  31           HE2      LYS  31 -14.814   6.943  -0.614
  181    HE3  LYS  31           HE1      LYS  31 -14.533   6.348  -2.251
  182    HZ1  LYS  31           HZ1      LYS  31 -14.679   4.168  -1.577
  183    HZ2  LYS  31           HZ2      LYS  31 -15.828   4.898  -0.573
  184    HZ3  LYS  31           HZ3      LYS  31 -14.299   4.509   0.035
  185    H    ALA  32           HN       ALA  32  -9.808   2.494  -2.838
  186    HA   ALA  32           HA       ALA  32  -8.754   0.520  -2.517
  187    HB1  ALA  32           HB1      ALA  32  -6.349   0.504  -2.384
  188    HB2  ALA  32           HB2      ALA  32  -6.332   2.212  -1.942
  189    HB3  ALA  32           HB3      ALA  32  -6.880   1.720  -3.546
  190    H    VAL  33           HN       VAL  33  -9.181  -0.750  -0.894
  191    HA   VAL  33           HA       VAL  33  -9.075   0.161   1.836
  192    HB   VAL  33           HB       VAL  33  -9.572  -2.677   0.959
  193   HG11  VAL  33          HG11      VAL  33  -9.249  -2.099   3.387
  194   HG12  VAL  33          HG12      VAL  33 -10.780  -2.882   2.993
  195   HG13  VAL  33          HG13      VAL  33 -10.726  -1.142   3.276
  196   HG21  VAL  33          HG21      VAL  33 -11.030  -0.461   0.088
  197   HG22  VAL  33          HG22      VAL  33 -11.984  -1.159   1.396
  198   HG23  VAL  33          HG23      VAL  33 -11.520  -2.154   0.017
  199    H    CYS  34           HN       CYS  34  -7.485  -0.152   3.267
  200    HA   CYS  34           HA       CYS  34  -4.983  -1.212   2.423
  201    HB2  CYS  34           HB2      CYS  34  -5.572   0.630   4.205
  202    HB3  CYS  34           HB1      CYS  34  -5.632  -0.744   5.302
  203    H    CYS  35           HN       CYS  35  -5.623  -3.423   1.847
  204    HA   CYS  35           HA       CYS  35  -6.724  -5.312   3.532
  205    HB2  CYS  35           HB2      CYS  35  -5.881  -5.483   1.047
  206    HB3  CYS  35           HB1      CYS  35  -4.401  -6.073   1.794
  207    H    ASP  36           HN       ASP  36  -6.170  -5.494   5.592
  208    HA   ASP  36           HA       ASP  36  -3.370  -5.372   6.384
  209    HB2  ASP  36           HB2      ASP  36  -5.957  -4.909   7.707
  210    HB3  ASP  36           HB1      ASP  36  -4.735  -5.681   8.714
  211    H    ASP  37           HN       ASP  37  -5.682  -7.803   5.692
  212    HA   ASP  37           HA       ASP  37  -5.159  -9.758   7.570
  213    HB2  ASP  37           HB2      ASP  37  -6.772  -9.803   5.557
  214    HB3  ASP  37           HB1      ASP  37  -5.391 -10.383   4.630
  215    H    MET  38           HN       MET  38  -3.340  -8.829   4.718
  216    HA   MET  38           HA       MET  38  -1.057 -10.395   5.712
  217    HB2  MET  38           HB2      MET  38  -2.293 -10.322   3.033
  218    HB3  MET  38           HB1      MET  38  -0.542 -10.164   3.039
  219    HG2  MET  38           HG2      MET  38  -1.893 -12.351   4.566
  220    HG3  MET  38           HG1      MET  38  -1.580 -12.503   2.838
  221    HE1  MET  38           HE1      MET  38   1.727 -11.422   2.451
  222    HE2  MET  38           HE2      MET  38   0.421 -12.365   1.733
  223    HE3  MET  38           HE3      MET  38   1.874 -13.174   2.320
  224    H    GLN  39           HN       GLN  39  -0.777  -8.443   2.860
  225    HA   GLN  39           HA       GLN  39  -0.061  -6.040   4.236
  226    HB2  GLN  39           HB2      GLN  39   2.285  -6.062   3.154
  227    HB3  GLN  39           HB1      GLN  39   2.045  -6.973   4.638
  228    HG2  GLN  39           HG2      GLN  39   2.165  -9.010   3.566
  229    HG3  GLN  39           HG1      GLN  39   1.733  -8.328   1.999
  230   HE21  GLN  39          HE21      GLN  39   4.222  -7.556   4.408
  231   HE22  GLN  39          HE22      GLN  39   5.556  -7.657   3.314
  232    H    HIS  40           HN       HIS  40  -1.841  -5.395   2.747
  233    HA   HIS  40           HA       HIS  40  -0.776  -4.327   0.321
  234    HB2  HIS  40           HB2      HIS  40  -1.496  -6.985   0.107
  235    HB3  HIS  40           HB1      HIS  40  -2.902  -6.134  -0.522
  236    HD1  HIS  40           HD1      HIS  40  -2.777  -5.547  -2.919
  237    HD2  HIS  40           HD2      HIS  40   0.995  -6.056  -1.254
  238    HE1  HIS  40           HE1      HIS  40  -1.162  -5.309  -4.830
  239    HE2  HIS  40           HE2      HIS  40   1.106  -5.730  -3.817
  240    H    CYS  41           HN       CYS  41  -2.823  -3.953  -1.256
  241    HA   CYS  41           HA       CYS  41  -5.045  -2.869   0.309
  242    HB2  CYS  41           HB2      CYS  41  -4.935  -0.809  -1.196
  243    HB3  CYS  41           HB1      CYS  41  -3.703  -0.930   0.056
  244    H    CYS  42           HN       CYS  42  -7.010  -2.941  -0.751
  245    HA   CYS  42           HA       CYS  42  -6.979  -4.271  -3.372
  246    HB2  CYS  42           HB2      CYS  42  -8.460  -4.765  -0.946
  247    HB3  CYS  42           HB1      CYS  42  -9.569  -4.443  -2.280
  248    HA   PRO  43           HA       PRO  43  -8.670  -0.851  -5.558
  249    HB2  PRO  43           HB2      PRO  43 -10.770  -2.797  -6.423
  250    HB3  PRO  43           HB1      PRO  43  -9.810  -1.674  -7.395
  251    HG2  PRO  43           HG2      PRO  43  -9.192  -4.253  -7.342
  252    HG3  PRO  43           HG1      PRO  43  -7.917  -3.021  -7.320
  253    HD2  PRO  43           HD2      PRO  43  -8.927  -4.741  -5.109
  254    HD3  PRO  43           HD1      PRO  43  -7.290  -4.122  -5.403
  255    H    ALA  44           HN       ALA  44  -9.998   0.751  -5.035
  256    HA   ALA  44           HA       ALA  44 -11.609   0.778  -2.804
  257    HB1  ALA  44           HB1      ALA  44 -12.210   2.932  -3.385
  258    HB2  ALA  44           HB2      ALA  44 -12.255   2.567  -5.109
  259    HB3  ALA  44           HB3      ALA  44 -10.705   2.715  -4.279
  260    H    GLY  45           HN       GLY  45 -13.123  -0.827  -2.596
  261    HA2  GLY  45           HA2      GLY  45 -15.597  -0.923  -2.892
  262    HA3  GLY  45           HA1      GLY  45 -15.278  -0.834  -4.617
  263    H    TYR  46           HN       TYR  46 -12.936  -2.710  -3.075
  264    HA   TYR  46           HA       TYR  46 -14.472  -5.182  -3.445
  265    HB2  TYR  46           HB2      TYR  46 -11.706  -4.670  -4.563
  266    HB3  TYR  46           HB1      TYR  46 -12.550  -6.215  -4.597
  267    HD1  TYR  46           HD1      TYR  46 -12.510  -2.790  -5.954
  268    HD2  TYR  46           HD2      TYR  46 -14.264  -6.658  -6.209
  269    HE1  TYR  46           HE1      TYR  46 -13.540  -2.173  -8.099
  270    HE2  TYR  46           HE2      TYR  46 -15.299  -6.051  -8.356
  271    HH   TYR  46           HH       TYR  46 -15.374  -2.827  -9.517
  272    H    LYS  47           HN       LYS  47 -13.407  -7.075  -2.444
  273    HA   LYS  47           HA       LYS  47 -11.737  -6.290  -0.146
  274    HB2  LYS  47           HB2      LYS  47 -12.885  -7.983   1.194
  275    HB3  LYS  47           HB1      LYS  47 -14.025  -6.798   0.567
  276    HG2  LYS  47           HG2      LYS  47 -15.230  -8.415  -0.336
  277    HG3  LYS  47           HG1      LYS  47 -13.845  -8.931  -1.301
  278    HD2  LYS  47           HD2      LYS  47 -13.499 -10.722  -0.011
  279    HD3  LYS  47           HD1      LYS  47 -13.627  -9.771   1.471
  280    HE2  LYS  47           HE2      LYS  47 -15.844 -10.215   1.728
  281    HE3  LYS  47           HE1      LYS  47 -16.135 -10.314  -0.009
  282    HZ1  LYS  47           HZ1      LYS  47 -16.186 -12.442   1.476
  283    HZ2  LYS  47           HZ2      LYS  47 -14.508 -12.396   1.265
  284    HZ3  LYS  47           HZ3      LYS  47 -15.525 -12.498  -0.081
  285    H    CYS  48           HN       CYS  48 -10.451  -8.075   0.778
  286    HA   CYS  48           HA       CYS  48  -9.165  -9.564  -1.348
  287    HB2  CYS  48           HB2      CYS  48  -8.436  -9.662   1.575
  288    HB3  CYS  48           HB1      CYS  48  -7.402  -9.962   0.183
  289    H    GLY  49           HN       GLY  49  -8.805 -11.841  -1.308
  290    HA2  GLY  49           HA2      GLY  49 -10.666 -13.347   0.416
  291    HA3  GLY  49           HA1      GLY  49 -10.617 -13.638  -1.315
  292    HA   PRO  50           HA       PRO  50  -7.567 -16.390   1.116
  293    HB2  PRO  50           HB2      PRO  50  -9.242 -18.572   0.051
  294    HB3  PRO  50           HB1      PRO  50  -8.629 -18.321   1.689
  295    HG2  PRO  50           HG2      PRO  50 -11.222 -17.986   1.102
  296    HG3  PRO  50           HG1      PRO  50 -10.395 -16.955   2.285
  297    HD2  PRO  50           HD2      PRO  50 -11.111 -16.373  -0.566
  298    HD3  PRO  50           HD1      PRO  50 -11.223 -15.320   0.861
  299    H    GLY  51           HN       GLY  51  -8.985 -16.281  -2.054
  300    HA2  GLY  51           HA2      GLY  51  -7.041 -18.042  -3.260
  301    HA3  GLY  51           HA1      GLY  51  -8.257 -17.094  -4.102
  302    H    GLY  52           HN       GLY  52  -6.310 -15.372  -1.868
  303    HA2  GLY  52           HA2      GLY  52  -4.694 -13.768  -2.143
  304    HA3  GLY  52           HA1      GLY  52  -4.056 -14.788  -3.423
  305    H    THR  53           HN       THR  53  -7.299 -13.762  -3.817
  306    HA   THR  53           HA       THR  53  -6.429 -11.618  -5.642
  307    HB   THR  53           HB       THR  53  -8.743 -12.423  -6.800
  308    HG1  THR  53           HG1      THR  53  -8.092 -14.887  -6.862
  309   HG21  THR  53          HG21      THR  53  -6.068 -13.676  -7.411
  310   HG22  THR  53          HG22      THR  53  -6.499 -12.022  -7.842
  311   HG23  THR  53          HG23      THR  53  -7.393 -13.375  -8.536
  312    H    CYS  54           HN       CYS  54  -8.293 -10.150  -6.246
  313    HA   CYS  54           HA       CYS  54  -9.796  -9.524  -3.805
  314    HB2  CYS  54           HB2      CYS  54  -8.171  -7.880  -5.087
  315    HB3  CYS  54           HB1      CYS  54  -9.589  -7.619  -6.097
  316    H    ILE  55           HN       ILE  55 -11.917  -9.807  -3.745
  317    HA   ILE  55           HA       ILE  55 -13.360 -10.145  -6.295
  318    HB   ILE  55           HB       ILE  55 -15.045 -11.394  -4.761
  319   HG12  ILE  55          HG12      ILE  55 -12.607 -12.100  -3.177
  320   HG13  ILE  55          HG11      ILE  55 -13.519 -10.661  -2.734
  321   HG21  ILE  55          HG21      ILE  55 -12.453 -12.820  -5.259
  322   HG22  ILE  55          HG22      ILE  55 -13.497 -12.297  -6.580
  323   HG23  ILE  55          HG23      ILE  55 -14.100 -13.441  -5.381
  324   HD11  ILE  55          HD11      ILE  55 -14.414 -12.315  -1.386
  325   HD12  ILE  55          HD12      ILE  55 -14.372 -13.524  -2.670
  326   HD13  ILE  55          HD13      ILE  55 -15.560 -12.221  -2.722
  327    H    SER  56           HN       SER  56 -15.781  -9.696  -6.045
  328    HA   SER  56           HA       SER  56 -16.086  -6.998  -5.188
  329    HB2  SER  56           HB2      SER  56 -18.481  -7.338  -5.868
  330    HB3  SER  56           HB1      SER  56 -17.312  -7.744  -7.123
  331    HG   SER  56           HG       SER  56 -17.538  -9.961  -6.391
  Start of MODEL   10
    1    H1   ASP   1           HT1      ASP   1   1.906  15.091  -5.314
    2    H2   ASP   1           HT2      ASP   1   3.582  14.874  -5.376
    3    H3   ASP   1           HT3      ASP   1   2.884  15.685  -4.066
    4    HA   ASP   1           HA       ASP   1   2.658  12.812  -4.738
    5    HB2  ASP   1           HB2      ASP   1   3.741  14.290  -2.326
    6    HB3  ASP   1           HB1      ASP   1   3.693  12.540  -2.514
    7    H    VAL   2           HN       VAL   2   1.741  11.730  -2.572
    8    HA   VAL   2           HA       VAL   2  -0.712  13.178  -1.818
    9    HB   VAL   2           HB       VAL   2  -0.571  10.205  -2.333
   10   HG11  VAL   2          HG11      VAL   2  -3.060  10.420  -2.285
   11   HG12  VAL   2          HG12      VAL   2  -2.851  12.080  -1.728
   12   HG13  VAL   2          HG13      VAL   2  -2.271  10.739  -0.741
   13   HG21  VAL   2          HG21      VAL   2  -1.830  10.633  -4.377
   14   HG22  VAL   2          HG22      VAL   2  -0.270  11.453  -4.419
   15   HG23  VAL   2          HG23      VAL   2  -1.739  12.369  -4.082
   16    H    GLN   3           HN       GLN   3  -0.715  13.540   0.289
   17    HA   GLN   3           HA       GLN   3   0.980  12.784   2.214
   18    HB2  GLN   3           HB2      GLN   3  -1.940  12.836   2.899
   19    HB3  GLN   3           HB1      GLN   3  -0.577  13.451   3.824
   20    HG2  GLN   3           HG2      GLN   3  -0.274  15.186   2.040
   21    HG3  GLN   3           HG1      GLN   3  -1.802  14.638   1.351
   22   HE21  GLN   3          HE21      GLN   3  -3.509  15.745   1.953
   23   HE22  GLN   3          HE22      GLN   3  -3.692  16.623   3.430
   24    H    CYS   4           HN       CYS   4   1.775  10.820   2.542
   25    HA   CYS   4           HA       CYS   4  -0.011   8.502   2.643
   26    HB2  CYS   4           HB2      CYS   4   2.976   8.755   2.584
   27    HB3  CYS   4           HB1      CYS   4   2.145   7.220   2.747
   28    H    GLY   5           HN       GLY   5  -0.685   9.790   4.673
   29    HA2  GLY   5           HA2      GLY   5  -0.811   9.972   6.975
   30    HA3  GLY   5           HA1      GLY   5  -0.379   8.272   6.913
   31    H    GLY   6           HN       GLY   6   1.855   7.702   7.044
   32    HA2  GLY   6           HA2      GLY   6   3.255   9.160   9.034
   33    HA3  GLY   6           HA1      GLY   6   3.877   7.782   8.137
   34    H    GLY   7           HN       GLY   7   5.935   8.842   8.051
   35    HA2  GLY   7           HA2      GLY   7   6.137  11.363   6.648
   36    HA3  GLY   7           HA1      GLY   7   7.469  10.403   7.271
   37    H    PHE   8           HN       PHE   8   5.032   9.007   5.163
   38    HA   PHE   8           HA       PHE   8   7.130   8.673   3.135
   39    HB2  PHE   8           HB2      PHE   8   4.686   7.102   3.850
   40    HB3  PHE   8           HB1      PHE   8   5.359   6.976   2.229
   41    HD1  PHE   8           HD1      PHE   8   6.580   6.926   5.761
   42    HD2  PHE   8           HD2      PHE   8   6.826   5.262   1.851
   43    HE1  PHE   8           HE1      PHE   8   8.236   5.292   6.564
   44    HE2  PHE   8           HE2      PHE   8   8.479   3.623   2.648
   45    HZ   PHE   8           HZ       PHE   8   9.186   3.637   5.007
   46    H    SER   9           HN       SER   9   5.851   8.201   0.893
   47    HA   SER   9           HA       SER   9   3.717   9.953   0.257
   48    HB2  SER   9           HB2      SER   9   4.993  11.551  -1.164
   49    HB3  SER   9           HB1      SER   9   5.376  11.709   0.550
   50    HG   SER   9           HG       SER   9   7.291  11.693  -0.581
   51    H    CYS  10           HN       CYS  10   3.230   9.959  -2.060
   52    HA   CYS  10           HA       CYS  10   4.670   7.996  -3.662
   53    HB2  CYS  10           HB2      CYS  10   1.923   7.646  -2.607
   54    HB3  CYS  10           HB1      CYS  10   2.168   7.233  -4.301
   55    H    HIS  11           HN       HIS  11   3.089   7.842  -5.848
   56    HA   HIS  11           HA       HIS  11   3.401  10.485  -6.955
   57    HB2  HIS  11           HB2      HIS  11   3.814   8.069  -8.013
   58    HB3  HIS  11           HB1      HIS  11   2.152   8.305  -8.545
   59    HD1  HIS  11           HD1      HIS  11   1.762  10.621  -9.936
   60    HD2  HIS  11           HD2      HIS  11   5.669   9.244  -9.610
   61    HE1  HIS  11           HE1      HIS  11   3.045  11.800 -11.750
   62    HE2  HIS  11           HE2      HIS  11   5.396  10.912 -11.567
   63    H    ASP  12           HN       ASP  12   1.692  11.329  -8.462
   64    HA   ASP  12           HA       ASP  12  -0.600  12.011  -7.035
   65    HB2  ASP  12           HB2      ASP  12   0.341  12.363  -9.822
   66    HB3  ASP  12           HB1      ASP  12  -1.390  12.544  -9.556
   67    H    GLY  13           HN       GLY  13  -2.567  11.147  -6.802
   68    HA2  GLY  13           HA2      GLY  13  -4.453   9.886  -7.370
   69    HA3  GLY  13           HA1      GLY  13  -3.550   9.170  -8.695
   70    H    GLU  14           HN       GLU  14  -1.412   8.821  -6.362
   71    HA   GLU  14           HA       GLU  14  -2.290   6.106  -5.784
   72    HB2  GLU  14           HB2      GLU  14   0.296   7.327  -4.872
   73    HB3  GLU  14           HB1      GLU  14  -0.067   5.635  -5.182
   74    HG2  GLU  14           HG2      GLU  14  -0.032   7.719  -7.344
   75    HG3  GLU  14           HG1      GLU  14   1.397   6.803  -6.866
   76    H    THR  15           HN       THR  15  -1.778   5.255  -3.549
   77    HA   THR  15           HA       THR  15  -2.140   7.168  -1.380
   78    HB   THR  15           HB       THR  15  -4.086   4.883  -1.804
   79    HG1  THR  15           HG1      THR  15  -4.449   6.688  -3.221
   80   HG21  THR  15          HG21      THR  15  -5.217   5.672   0.142
   81   HG22  THR  15          HG22      THR  15  -4.202   7.111   0.230
   82   HG23  THR  15          HG23      THR  15  -3.512   5.525   0.569
   83    H    CYS  16           HN       CYS  16  -0.830   6.514   0.299
   84    HA   CYS  16           HA       CYS  16   0.330   3.881   0.110
   85    HB2  CYS  16           HB2      CYS  16   0.860   6.066   2.129
   86    HB3  CYS  16           HB1      CYS  16   1.781   4.577   1.953
   87    H    CYS  17           HN       CYS  17   0.582   2.548   2.091
   88    HA   CYS  17           HA       CYS  17  -1.751   2.643   3.866
   89    HB2  CYS  17           HB2      CYS  17  -2.664   0.893   2.802
   90    HB3  CYS  17           HB1      CYS  17  -1.225   0.657   1.813
   91    HA   PRO  18           HA       PRO  18   1.432   1.632   6.784
   92    HB2  PRO  18           HB2      PRO  18  -0.033   1.693   8.996
   93    HB3  PRO  18           HB1      PRO  18   0.151   3.158   8.022
   94    HG2  PRO  18           HG2      PRO  18  -2.146   1.232   8.122
   95    HG3  PRO  18           HG1      PRO  18  -2.176   3.005   8.102
   96    HD2  PRO  18           HD2      PRO  18  -2.522   1.393   5.862
   97    HD3  PRO  18           HD1      PRO  18  -2.010   3.090   5.825
   98    H    THR  19           HN       THR  19   0.891  -0.630   5.385
   99    HA   THR  19           HA       THR  19  -0.342  -2.699   6.889
  100    HB   THR  19           HB       THR  19  -0.110  -2.855   4.457
  101    HG1  THR  19           HG1      THR  19   1.384  -5.025   4.926
  102   HG21  THR  19          HG21      THR  19   2.698  -3.684   4.493
  103   HG22  THR  19          HG22      THR  19   2.454  -1.972   4.839
  104   HG23  THR  19          HG23      THR  19   1.833  -2.667   3.342
  105    H    SER  20           HN       SER  20   2.389  -1.055   7.594
  106    HA   SER  20           HA       SER  20   3.523  -3.355   9.033
  107    HB2  SER  20           HB2      SER  20   5.030  -1.222   7.507
  108    HB3  SER  20           HB1      SER  20   5.793  -2.290   8.684
  109    HG   SER  20           HG       SER  20   6.046  -3.307   6.771
  110    H    GLN  21           HN       GLN  21   5.557  -1.868  10.320
  111    HA   GLN  21           HA       GLN  21   3.909  -0.354  12.208
  112    HB2  GLN  21           HB2      GLN  21   6.751  -1.295  12.593
  113    HB3  GLN  21           HB1      GLN  21   5.633  -0.734  13.829
  114    HG2  GLN  21           HG2      GLN  21   4.210  -2.779  12.871
  115    HG3  GLN  21           HG1      GLN  21   5.830  -3.360  12.493
  116   HE21  GLN  21          HE21      GLN  21   5.763  -5.016  13.975
  117   HE22  GLN  21          HE22      GLN  21   5.815  -4.749  15.681
  118    H    THR  22           HN       THR  22   6.836  -0.094  10.252
  119    HA   THR  22           HA       THR  22   6.692   2.826  10.564
  120    HB   THR  22           HB       THR  22   9.202   2.889  10.504
  121    HG1  THR  22           HG1      THR  22   8.851   0.093  10.940
  122   HG21  THR  22          HG21      THR  22   9.103   1.555  12.956
  123   HG22  THR  22          HG22      THR  22   7.468   2.166  12.700
  124   HG23  THR  22          HG23      THR  22   8.838   3.276  12.672
  125    H    THR  23           HN       THR  23   5.836   0.929   8.434
  126    HA   THR  23           HA       THR  23   7.375   2.140   6.234
  127    HB   THR  23           HB       THR  23   6.198  -0.441   5.540
  128    HG1  THR  23           HG1      THR  23   8.277  -0.334   7.492
  129   HG21  THR  23          HG21      THR  23   9.095   0.323   5.391
  130   HG22  THR  23          HG22      THR  23   7.912   1.051   4.305
  131   HG23  THR  23          HG23      THR  23   8.156  -0.695   4.299
  132    H    TRP  24           HN       TRP  24   6.148   2.010   4.121
  133    HA   TRP  24           HA       TRP  24   3.241   2.039   4.429
  134    HB2  TRP  24           HB2      TRP  24   4.939   4.416   3.733
  135    HB3  TRP  24           HB1      TRP  24   3.332   4.264   3.029
  136    HD1  TRP  24           HD1      TRP  24   5.092   4.884   6.358
  137    HE1  TRP  24           HE1      TRP  24   3.369   5.762   8.060
  138    HE3  TRP  24           HE3      TRP  24   0.863   4.254   3.602
  139    HZ2  TRP  24           HZ2      TRP  24   0.570   6.130   8.203
  140    HZ3  TRP  24           HZ3      TRP  24  -1.301   4.887   4.580
  141    HH2  TRP  24           HH2      TRP  24  -1.439   5.805   6.828
  142    H    GLY  25           HN       GLY  25   2.364   0.967   2.757
  143    HA2  GLY  25           HA2      GLY  25   3.998   0.451   0.386
  144    HA3  GLY  25           HA1      GLY  25   2.515  -0.386   0.826
  145    H    CYS  26           HN       CYS  26   3.354   0.934  -1.724
  146    HA   CYS  26           HA       CYS  26   1.536   3.192  -1.908
  147    HB2  CYS  26           HB2      CYS  26   3.893   2.840  -3.070
  148    HB3  CYS  26           HB1      CYS  26   2.903   2.081  -4.312
  149    H    CYS  27           HN       CYS  27  -0.475   3.078  -2.532
  150    HA   CYS  27           HA       CYS  27  -1.453   0.641  -3.857
  151    HB2  CYS  27           HB2      CYS  27  -2.742   2.627  -2.006
  152    HB3  CYS  27           HB1      CYS  27  -3.736   1.639  -3.064
  153    HA   PRO  28           HA       PRO  28  -2.111   3.262  -7.411
  154    HB2  PRO  28           HB2      PRO  28  -3.178   1.436  -9.055
  155    HB3  PRO  28           HB1      PRO  28  -1.473   1.376  -8.589
  156    HG2  PRO  28           HG2      PRO  28  -3.783  -0.206  -7.532
  157    HG3  PRO  28           HG1      PRO  28  -2.143  -0.750  -7.929
  158    HD2  PRO  28           HD2      PRO  28  -2.998  -0.175  -5.383
  159    HD3  PRO  28           HD1      PRO  28  -1.305  -0.083  -5.907
  160    H    SER  29           HN       SER  29  -4.098   3.371  -5.282
  161    HA   SER  29           HA       SER  29  -6.344   4.244  -6.868
  162    HB2  SER  29           HB2      SER  29  -7.303   2.526  -4.691
  163    HB3  SER  29           HB1      SER  29  -7.866   2.655  -6.358
  164    HG   SER  29           HG       SER  29  -5.477   1.321  -5.621
  165    HA   PRO  30           HA       PRO  30  -6.624   7.274  -3.681
  166    HB2  PRO  30           HB2      PRO  30  -9.318   7.739  -3.586
  167    HB3  PRO  30           HB1      PRO  30  -8.259   8.362  -4.855
  168    HG2  PRO  30           HG2      PRO  30 -10.038   5.955  -4.885
  169    HG3  PRO  30           HG1      PRO  30  -9.781   7.174  -6.149
  170    HD2  PRO  30           HD2      PRO  30  -8.593   4.762  -6.241
  171    HD3  PRO  30           HD1      PRO  30  -7.780   6.228  -6.828
  172    H    LYS  31           HN       LYS  31  -9.811   6.023  -2.982
  173    HA   LYS  31           HA       LYS  31  -9.033   5.550  -0.241
  174    HB2  LYS  31           HB2      LYS  31 -11.463   6.149  -1.637
  175    HB3  LYS  31           HB1      LYS  31 -11.699   4.695  -0.675
  176    HG2  LYS  31           HG2      LYS  31 -10.738   5.985   1.274
  177    HG3  LYS  31           HG1      LYS  31 -10.882   7.427   0.266
  178    HD2  LYS  31           HD2      LYS  31 -13.257   5.655   0.567
  179    HD3  LYS  31           HD1      LYS  31 -12.811   6.703   1.916
  180    HE2  LYS  31           HE2      LYS  31 -13.361   7.581  -0.918
  181    HE3  LYS  31           HE1      LYS  31 -14.440   7.789   0.460
  182    HZ1  LYS  31           HZ1      LYS  31 -12.519   9.072   1.492
  183    HZ2  LYS  31           HZ2      LYS  31 -13.362   9.826   0.235
  184    HZ3  LYS  31           HZ3      LYS  31 -11.854   9.121  -0.063
  185    H    ALA  32           HN       ALA  32  -7.636   3.806  -1.715
  186    HA   ALA  32           HA       ALA  32  -8.820   1.316  -2.252
  187    HB1  ALA  32           HB1      ALA  32  -5.962   1.815  -1.436
  188    HB2  ALA  32           HB2      ALA  32  -6.593   2.064  -3.064
  189    HB3  ALA  32           HB3      ALA  32  -6.586   0.448  -2.358
  190    H    VAL  33           HN       VAL  33  -8.217  -0.720  -1.079
  191    HA   VAL  33           HA       VAL  33  -8.414  -0.359   1.839
  192    HB   VAL  33           HB       VAL  33  -9.387  -2.911   0.745
  193   HG11  VAL  33          HG11      VAL  33 -10.183  -2.905   2.820
  194   HG12  VAL  33          HG12      VAL  33 -11.333  -1.666   2.317
  195   HG13  VAL  33          HG13      VAL  33  -9.786  -1.199   3.023
  196   HG21  VAL  33          HG21      VAL  33 -10.409  -1.802  -0.995
  197   HG22  VAL  33          HG22      VAL  33 -10.613  -0.315  -0.070
  198   HG23  VAL  33          HG23      VAL  33 -11.653  -1.704   0.252
  199    H    CYS  34           HN       CYS  34  -6.351  -0.735   2.503
  200    HA   CYS  34           HA       CYS  34  -4.576  -2.505   1.235
  201    HB2  CYS  34           HB2      CYS  34  -4.066  -0.551   2.871
  202    HB3  CYS  34           HB1      CYS  34  -4.277  -1.772   4.124
  203    H    CYS  35           HN       CYS  35  -4.843  -4.641   1.093
  204    HA   CYS  35           HA       CYS  35  -6.403  -6.220   2.801
  205    HB2  CYS  35           HB2      CYS  35  -4.879  -6.643   0.480
  206    HB3  CYS  35           HB1      CYS  35  -4.201  -7.733   1.684
  207    H    ASP  36           HN       ASP  36  -6.105  -6.572   4.859
  208    HA   ASP  36           HA       ASP  36  -3.439  -6.347   6.019
  209    HB2  ASP  36           HB2      ASP  36  -5.776  -5.293   6.834
  210    HB3  ASP  36           HB1      ASP  36  -5.778  -6.782   7.775
  211    H    ASP  37           HN       ASP  37  -5.572  -8.882   5.087
  212    HA   ASP  37           HA       ASP  37  -5.205 -10.751   7.096
  213    HB2  ASP  37           HB2      ASP  37  -6.025 -10.764   4.321
  214    HB3  ASP  37           HB1      ASP  37  -5.041 -12.180   4.680
  215    H    MET  38           HN       MET  38  -3.131  -9.902   4.385
  216    HA   MET  38           HA       MET  38  -0.889 -11.218   5.744
  217    HB2  MET  38           HB2      MET  38  -1.254 -11.270   2.746
  218    HB3  MET  38           HB1      MET  38  -0.042 -12.122   3.694
  219    HG2  MET  38           HG2      MET  38  -2.677 -12.849   4.567
  220    HG3  MET  38           HG1      MET  38  -2.520 -13.075   2.826
  221    HE1  MET  38           HE1      MET  38  -2.979 -14.712   5.450
  222    HE2  MET  38           HE2      MET  38  -1.515 -15.284   6.249
  223    HE3  MET  38           HE3      MET  38  -2.311 -16.292   5.041
  224    H    GLN  39           HN       GLN  39  -0.698  -9.752   2.571
  225    HA   GLN  39           HA       GLN  39   0.035  -7.161   3.564
  226    HB2  GLN  39           HB2      GLN  39   2.078  -9.135   3.137
  227    HB3  GLN  39           HB1      GLN  39   2.253  -7.857   1.943
  228    HG2  GLN  39           HG2      GLN  39   3.042  -6.424   3.444
  229    HG3  GLN  39           HG1      GLN  39   1.774  -6.813   4.605
  230   HE21  GLN  39          HE21      GLN  39   3.872  -6.368   5.897
  231   HE22  GLN  39          HE22      GLN  39   4.775  -7.775   6.334
  232    H    HIS  40           HN       HIS  40  -1.806  -6.669   2.149
  233    HA   HIS  40           HA       HIS  40  -0.887  -6.317  -0.600
  234    HB2  HIS  40           HB2      HIS  40  -2.304  -8.571  -0.075
  235    HB3  HIS  40           HB1      HIS  40  -3.596  -7.461  -0.520
  236    HD1  HIS  40           HD1      HIS  40  -3.629  -6.595  -2.962
  237    HD2  HIS  40           HD2      HIS  40  -0.608  -9.333  -2.159
  238    HE1  HIS  40           HE1      HIS  40  -2.749  -7.303  -5.209
  239    HE2  HIS  40           HE2      HIS  40  -0.968  -9.012  -4.700
  240    H    CYS  41           HN       CYS  41  -2.992  -5.522  -1.926
  241    HA   CYS  41           HA       CYS  41  -4.418  -3.489  -0.394
  242    HB2  CYS  41           HB2      CYS  41  -2.326  -2.440  -1.233
  243    HB3  CYS  41           HB1      CYS  41  -2.811  -2.850  -2.873
  244    H    CYS  42           HN       CYS  42  -6.333  -2.737  -1.381
  245    HA   CYS  42           HA       CYS  42  -7.164  -4.228  -3.781
  246    HB2  CYS  42           HB2      CYS  42  -8.618  -3.825  -1.183
  247    HB3  CYS  42           HB1      CYS  42  -9.513  -4.089  -2.674
  248    HA   PRO  43           HA       PRO  43  -7.928  -0.220  -5.541
  249    HB2  PRO  43           HB2      PRO  43 -10.089  -1.693  -6.977
  250    HB3  PRO  43           HB1      PRO  43  -8.814  -0.652  -7.623
  251    HG2  PRO  43           HG2      PRO  43  -8.608  -3.276  -7.872
  252    HG3  PRO  43           HG1      PRO  43  -7.186  -2.308  -7.432
  253    HD2  PRO  43           HD2      PRO  43  -8.928  -4.010  -5.688
  254    HD3  PRO  43           HD1      PRO  43  -7.162  -3.823  -5.677
  255    H    ALA  44           HN       ALA  44  -9.187   1.456  -5.028
  256    HA   ALA  44           HA       ALA  44 -11.016   1.469  -3.005
  257    HB1  ALA  44           HB1      ALA  44 -11.707   3.475  -4.983
  258    HB2  ALA  44           HB2      ALA  44  -9.966   3.364  -4.723
  259    HB3  ALA  44           HB3      ALA  44 -11.044   3.667  -3.360
  260    H    GLY  45           HN       GLY  45 -12.753   0.196  -2.867
  261    HA2  GLY  45           HA2      GLY  45 -15.148   0.178  -3.448
  262    HA3  GLY  45           HA1      GLY  45 -14.649   0.221  -5.134
  263    H    TYR  46           HN       TYR  46 -12.519  -1.701  -3.480
  264    HA   TYR  46           HA       TYR  46 -14.021  -4.135  -4.184
  265    HB2  TYR  46           HB2      TYR  46 -11.090  -3.481  -4.402
  266    HB3  TYR  46           HB1      TYR  46 -11.656  -5.146  -4.368
  267    HD1  TYR  46           HD1      TYR  46 -12.144  -6.189  -6.372
  268    HD2  TYR  46           HD2      TYR  46 -12.285  -1.941  -6.184
  269    HE1  TYR  46           HE1      TYR  46 -12.563  -6.103  -8.793
  270    HE2  TYR  46           HE2      TYR  46 -12.705  -1.843  -8.605
  271    HH   TYR  46           HH       TYR  46 -13.309  -3.079 -10.422
  272    H    LYS  47           HN       LYS  47 -13.226  -6.104  -2.957
  273    HA   LYS  47           HA       LYS  47 -12.567  -5.398  -0.178
  274    HB2  LYS  47           HB2      LYS  47 -14.139  -7.047   0.636
  275    HB3  LYS  47           HB1      LYS  47 -14.978  -5.909  -0.411
  276    HG2  LYS  47           HG2      LYS  47 -15.645  -7.533  -1.765
  277    HG3  LYS  47           HG1      LYS  47 -14.005  -8.168  -1.915
  278    HD2  LYS  47           HD2      LYS  47 -14.601  -9.915  -0.677
  279    HD3  LYS  47           HD1      LYS  47 -14.905  -8.826   0.677
  280    HE2  LYS  47           HE2      LYS  47 -17.160  -8.777   0.311
  281    HE3  LYS  47           HE1      LYS  47 -16.994  -9.061  -1.422
  282    HZ1  LYS  47           HZ1      LYS  47 -16.059 -11.298   0.044
  283    HZ2  LYS  47           HZ2      LYS  47 -17.295 -11.220  -1.109
  284    HZ3  LYS  47           HZ3      LYS  47 -17.637 -10.915   0.519
  285    H    CYS  48           HN       CYS  48 -11.613  -7.134   1.068
  286    HA   CYS  48           HA       CYS  48  -9.721  -8.637  -0.525
  287    HB2  CYS  48           HB2      CYS  48 -10.034  -8.056   2.401
  288    HB3  CYS  48           HB1      CYS  48  -8.963  -9.349   1.873
  289    H    GLY  49           HN       GLY  49  -9.511 -10.859  -0.598
  290    HA2  GLY  49           HA2      GLY  49 -11.460 -12.506   0.821
  291    HA3  GLY  49           HA1      GLY  49 -11.541 -12.523  -0.934
  292    HA   PRO  50           HA       PRO  50  -8.479 -15.747   0.700
  293    HB2  PRO  50           HB2      PRO  50  -9.688 -17.897  -0.471
  294    HB3  PRO  50           HB1      PRO  50 -10.039 -17.356   1.175
  295    HG2  PRO  50           HG2      PRO  50 -11.552 -16.835  -1.357
  296    HG3  PRO  50           HG1      PRO  50 -12.171 -17.253   0.252
  297    HD2  PRO  50           HD2      PRO  50 -12.198 -14.724  -0.677
  298    HD3  PRO  50           HD1      PRO  50 -11.939 -15.092   1.041
  299    H    GLY  51           HN       GLY  51  -6.797 -16.517  -0.508
  300    HA2  GLY  51           HA2      GLY  51  -5.760 -17.300  -2.487
  301    HA3  GLY  51           HA1      GLY  51  -7.076 -16.610  -3.424
  302    H    GLY  52           HN       GLY  52  -5.873 -14.538  -1.011
  303    HA2  GLY  52           HA2      GLY  52  -4.726 -12.555  -1.124
  304    HA3  GLY  52           HA1      GLY  52  -3.607 -13.423  -2.162
  305    H    THR  53           HN       THR  53  -7.007 -12.694  -2.813
  306    HA   THR  53           HA       THR  53  -6.152 -10.815  -4.907
  307    HB   THR  53           HB       THR  53  -8.086 -11.787  -6.302
  308    HG1  THR  53           HG1      THR  53  -7.931 -14.266  -5.597
  309   HG21  THR  53          HG21      THR  53  -6.632 -13.475  -7.298
  310   HG22  THR  53          HG22      THR  53  -5.611 -13.463  -5.860
  311   HG23  THR  53          HG23      THR  53  -5.709 -12.030  -6.884
  312    H    CYS  54           HN       CYS  54  -7.841  -9.365  -5.647
  313    HA   CYS  54           HA       CYS  54  -9.723  -8.728  -3.486
  314    HB2  CYS  54           HB2      CYS  54  -8.743  -7.006  -5.774
  315    HB3  CYS  54           HB1      CYS  54  -9.817  -6.479  -4.484
  316    H    ILE  55           HN       ILE  55 -11.896  -8.596  -3.822
  317    HA   ILE  55           HA       ILE  55 -12.865  -9.199  -6.543
  318    HB   ILE  55           HB       ILE  55 -14.849 -10.230  -5.023
  319   HG12  ILE  55          HG12      ILE  55 -12.323 -11.067  -3.596
  320   HG13  ILE  55          HG11      ILE  55 -13.393  -9.813  -2.980
  321   HG21  ILE  55          HG21      ILE  55 -12.871 -11.162  -6.782
  322   HG22  ILE  55          HG22      ILE  55 -14.370 -11.967  -6.317
  323   HG23  ILE  55          HG23      ILE  55 -12.885 -12.280  -5.418
  324   HD11  ILE  55          HD11      ILE  55 -13.555 -12.488  -2.425
  325   HD12  ILE  55          HD12      ILE  55 -14.797 -12.265  -3.657
  326   HD13  ILE  55          HD13      ILE  55 -14.837 -11.301  -2.181
  327    H    SER  56           HN       SER  56 -15.339  -8.786  -6.655
  328    HA   SER  56           HA       SER  56 -17.021  -7.266  -6.707
  329    HB2  SER  56           HB2      SER  56 -16.032  -7.024  -3.894
  330    HB3  SER  56           HB1      SER  56 -17.218  -5.859  -4.482
  331    HG   SER  56           HG       SER  56 -18.545  -7.662  -5.049
  Start of MODEL   11
    1    H1   ASP   1           HT1      ASP   1   5.655  15.713  -2.329
    2    H2   ASP   1           HT2      ASP   1   4.393  16.637  -2.973
    3    H3   ASP   1           HT3      ASP   1   5.490  15.870  -4.007
    4    HA   ASP   1           HA       ASP   1   3.632  14.516  -4.108
    5    HB2  ASP   1           HB2      ASP   1   5.627  13.513  -2.076
    6    HB3  ASP   1           HB1      ASP   1   4.338  12.494  -2.708
    7    H    VAL   2           HN       VAL   2   2.560  12.730  -2.353
    8    HA   VAL   2           HA       VAL   2   0.885  14.469  -0.711
    9    HB   VAL   2           HB       VAL   2   0.506  11.534  -1.318
   10   HG11  VAL   2          HG11      VAL   2  -0.770  13.264   0.505
   11   HG12  VAL   2          HG12      VAL   2  -1.227  11.618   0.066
   12   HG13  VAL   2          HG13      VAL   2  -1.902  12.987  -0.817
   13   HG21  VAL   2          HG21      VAL   2  -1.399  12.831  -2.759
   14   HG22  VAL   2          HG22      VAL   2   0.134  12.253  -3.415
   15   HG23  VAL   2          HG23      VAL   2  -0.034  13.936  -2.915
   16    H    GLN   3           HN       GLN   3   0.853  14.441   1.460
   17    HA   GLN   3           HA       GLN   3   2.959  13.205   2.895
   18    HB2  GLN   3           HB2      GLN   3   1.005  15.190   3.385
   19    HB3  GLN   3           HB1      GLN   3   0.805  13.968   4.635
   20    HG2  GLN   3           HG2      GLN   3   2.404  15.078   5.713
   21    HG3  GLN   3           HG1      GLN   3   3.512  14.286   4.593
   22   HE21  GLN   3          HE21      GLN   3   1.224  16.967   4.209
   23   HE22  GLN   3          HE22      GLN   3   2.388  18.107   3.635
   24    H    CYS   4           HN       CYS   4   2.979  11.017   2.865
   25    HA   CYS   4           HA       CYS   4   0.737   9.340   2.990
   26    HB2  CYS   4           HB2      CYS   4   3.669   8.975   3.395
   27    HB3  CYS   4           HB1      CYS   4   2.591   7.681   3.901
   28    H    GLY   5           HN       GLY   5   2.856  10.580   5.533
   29    HA2  GLY   5           HA2      GLY   5   2.159  11.003   7.752
   30    HA3  GLY   5           HA1      GLY   5   0.781   9.938   7.495
   31    H    GLY   6           HN       GLY   6   4.325   9.777   7.490
   32    HA2  GLY   6           HA2      GLY   6   4.751   8.121   9.610
   33    HA3  GLY   6           HA1      GLY   6   4.327   7.015   8.309
   34    H    GLY   7           HN       GLY   7   5.709   9.567   6.815
   35    HA2  GLY   7           HA2      GLY   7   8.104  10.123   6.752
   36    HA3  GLY   7           HA1      GLY   7   8.420   8.424   7.063
   37    H    PHE   8           HN       PHE   8   5.906   8.247   5.020
   38    HA   PHE   8           HA       PHE   8   7.705   8.148   2.693
   39    HB2  PHE   8           HB2      PHE   8   5.411   6.481   3.582
   40    HB3  PHE   8           HB1      PHE   8   5.640   6.689   1.850
   41    HD1  PHE   8           HD1      PHE   8   7.277   5.471   0.700
   42    HD2  PHE   8           HD2      PHE   8   7.320   5.567   4.954
   43    HE1  PHE   8           HE1      PHE   8   8.995   3.709   0.719
   44    HE2  PHE   8           HE2      PHE   8   9.038   3.807   4.982
   45    HZ   PHE   8           HZ       PHE   8   9.877   2.876   2.862
   46    H    SER   9           HN       SER   9   6.198   8.142   0.586
   47    HA   SER   9           HA       SER   9   4.091  10.095   0.614
   48    HB2  SER   9           HB2      SER   9   5.680  11.331  -1.255
   49    HB3  SER   9           HB1      SER   9   5.458  11.886   0.404
   50    HG   SER   9           HG       SER   9   7.648  11.709  -0.004
   51    H    CYS  10           HN       CYS  10   3.026  10.266  -1.452
   52    HA   CYS  10           HA       CYS  10   3.925   8.340  -3.475
   53    HB2  CYS  10           HB2      CYS  10   1.372   8.288  -1.946
   54    HB3  CYS  10           HB1      CYS  10   1.306   7.862  -3.654
   55    H    HIS  11           HN       HIS  11   2.116   8.451  -5.316
   56    HA   HIS  11           HA       HIS  11   2.391  11.113  -6.381
   57    HB2  HIS  11           HB2      HIS  11   1.687   8.462  -7.441
   58    HB3  HIS  11           HB1      HIS  11   0.858   9.802  -8.226
   59    HD1  HIS  11           HD1      HIS  11   2.887  11.897  -8.582
   60    HD2  HIS  11           HD2      HIS  11   3.861   7.872  -8.921
   61    HE1  HIS  11           HE1      HIS  11   4.993  11.828  -9.954
   62    HE2  HIS  11           HE2      HIS  11   5.603   9.387 -10.085
   63    H    ASP  12           HN       ASP  12   0.756  12.463  -7.114
   64    HA   ASP  12           HA       ASP  12  -1.398  12.753  -5.338
   65    HB2  ASP  12           HB2      ASP  12  -2.005  14.700  -6.617
   66    HB3  ASP  12           HB1      ASP  12  -0.249  14.627  -6.501
   67    H    GLY  13           HN       GLY  13  -1.481  10.224  -6.926
   68    HA2  GLY  13           HA2      GLY  13  -4.299  10.402  -7.584
   69    HA3  GLY  13           HA1      GLY  13  -3.207   9.840  -8.851
   70    H    GLU  14           HN       GLU  14  -2.387   9.249  -5.596
   71    HA   GLU  14           HA       GLU  14  -3.378   6.475  -5.719
   72    HB2  GLU  14           HB2      GLU  14  -0.784   6.663  -4.409
   73    HB3  GLU  14           HB1      GLU  14  -1.344   5.531  -5.628
   74    HG2  GLU  14           HG2      GLU  14  -0.721   8.279  -6.523
   75    HG3  GLU  14           HG1      GLU  14   0.631   7.249  -6.055
   76    H    THR  15           HN       THR  15  -2.446   5.472  -3.401
   77    HA   THR  15           HA       THR  15  -3.169   7.341  -1.266
   78    HB   THR  15           HB       THR  15  -4.439   4.609  -1.573
   79    HG1  THR  15           HG1      THR  15  -6.293   6.420  -1.492
   80   HG21  THR  15          HG21      THR  15  -5.071   6.751   0.454
   81   HG22  THR  15          HG22      THR  15  -3.963   5.418   0.774
   82   HG23  THR  15          HG23      THR  15  -5.658   5.088   0.415
   83    H    CYS  16           HN       CYS  16  -2.185   6.919   0.692
   84    HA   CYS  16           HA       CYS  16   0.045   5.065   0.593
   85    HB2  CYS  16           HB2      CYS  16  -0.750   7.017   2.759
   86    HB3  CYS  16           HB1      CYS  16   0.785   6.156   2.645
   87    H    CYS  17           HN       CYS  17   0.133   3.141   1.579
   88    HA   CYS  17           HA       CYS  17  -2.034   2.449   3.447
   89    HB2  CYS  17           HB2      CYS  17  -1.248   1.232   0.999
   90    HB3  CYS  17           HB1      CYS  17  -0.864   0.115   2.303
   91    HA   PRO  18           HA       PRO  18   1.392   1.582   6.187
   92    HB2  PRO  18           HB2      PRO  18  -0.017   1.278   8.427
   93    HB3  PRO  18           HB1      PRO  18   0.101   2.858   7.646
   94    HG2  PRO  18           HG2      PRO  18  -2.153   0.901   7.627
   95    HG3  PRO  18           HG1      PRO  18  -2.203   2.671   7.691
   96    HD2  PRO  18           HD2      PRO  18  -2.548   1.103   5.397
   97    HD3  PRO  18           HD1      PRO  18  -2.207   2.837   5.425
   98    H    THR  19           HN       THR  19   2.305  -0.390   5.741
   99    HA   THR  19           HA       THR  19   0.748  -2.820   6.102
  100    HB   THR  19           HB       THR  19   2.748  -3.970   5.189
  101    HG1  THR  19           HG1      THR  19   4.575  -2.917   5.163
  102   HG21  THR  19          HG21      THR  19   2.085  -1.665   3.385
  103   HG22  THR  19          HG22      THR  19   0.876  -2.884   3.786
  104   HG23  THR  19          HG23      THR  19   2.366  -3.355   2.968
  105    H    SER  20           HN       SER  20   2.676  -0.888   8.049
  106    HA   SER  20           HA       SER  20   2.888  -3.001  10.014
  107    HB2  SER  20           HB2      SER  20   5.438  -1.645   9.975
  108    HB3  SER  20           HB1      SER  20   5.095  -3.373   9.898
  109    HG   SER  20           HG       SER  20   6.161  -2.719   8.024
  110    H    GLN  21           HN       GLN  21   4.908  -0.159  10.064
  111    HA   GLN  21           HA       GLN  21   3.095   1.575  11.386
  112    HB2  GLN  21           HB2      GLN  21   3.936   1.511  13.625
  113    HB3  GLN  21           HB1      GLN  21   3.504  -0.134  13.180
  114    HG2  GLN  21           HG2      GLN  21   5.984  -0.391  12.555
  115    HG3  GLN  21           HG1      GLN  21   6.220   1.075  13.508
  116   HE21  GLN  21          HE21      GLN  21   7.260  -1.550  14.028
  117   HE22  GLN  21          HE22      GLN  21   6.641  -2.045  15.563
  118    H    THR  22           HN       THR  22   6.131   0.694  10.156
  119    HA   THR  22           HA       THR  22   7.029   3.498  10.258
  120    HB   THR  22           HB       THR  22   9.341   2.782  10.415
  121    HG1  THR  22           HG1      THR  22   9.765   0.824   9.746
  122   HG21  THR  22          HG21      THR  22   8.678   1.144  12.620
  123   HG22  THR  22          HG22      THR  22   7.391   2.340  12.460
  124   HG23  THR  22          HG23      THR  22   9.066   2.865  12.624
  125    H    THR  23           HN       THR  23   6.013   0.986   8.392
  126    HA   THR  23           HA       THR  23   7.536   1.893   6.037
  127    HB   THR  23           HB       THR  23   6.030  -0.644   5.840
  128    HG1  THR  23           HG1      THR  23   7.036  -0.701   7.972
  129   HG21  THR  23          HG21      THR  23   7.316  -0.100   3.962
  130   HG22  THR  23          HG22      THR  23   8.299  -1.290   4.815
  131   HG23  THR  23          HG23      THR  23   8.688   0.426   4.939
  132    H    TRP  24           HN       TRP  24   6.397   2.224   4.084
  133    HA   TRP  24           HA       TRP  24   3.476   2.208   4.231
  134    HB2  TRP  24           HB2      TRP  24   5.207   4.624   3.832
  135    HB3  TRP  24           HB1      TRP  24   3.615   4.549   3.083
  136    HD1  TRP  24           HD1      TRP  24   5.315   4.964   6.456
  137    HE1  TRP  24           HE1      TRP  24   3.544   5.619   8.209
  138    HE3  TRP  24           HE3      TRP  24   1.127   4.277   3.646
  139    HZ2  TRP  24           HZ2      TRP  24   0.726   5.812   8.367
  140    HZ3  TRP  24           HZ3      TRP  24  -1.076   4.704   4.661
  141    HH2  TRP  24           HH2      TRP  24  -1.265   5.463   6.972
  142    H    GLY  25           HN       GLY  25   2.612   1.404   2.436
  143    HA2  GLY  25           HA2      GLY  25   4.311   1.222   0.036
  144    HA3  GLY  25           HA1      GLY  25   2.978   0.142   0.418
  145    H    CYS  26           HN       CYS  26   3.423   1.628  -2.039
  146    HA   CYS  26           HA       CYS  26   1.402   3.721  -1.997
  147    HB2  CYS  26           HB2      CYS  26   3.716   3.484  -3.399
  148    HB3  CYS  26           HB1      CYS  26   2.555   2.899  -4.586
  149    H    CYS  27           HN       CYS  27  -0.647   3.422  -2.509
  150    HA   CYS  27           HA       CYS  27  -1.427   0.918  -3.844
  151    HB2  CYS  27           HB2      CYS  27  -2.861   2.691  -1.873
  152    HB3  CYS  27           HB1      CYS  27  -3.723   1.501  -2.841
  153    HA   PRO  28           HA       PRO  28  -2.573   3.634  -7.218
  154    HB2  PRO  28           HB2      PRO  28  -3.391   1.280  -8.682
  155    HB3  PRO  28           HB1      PRO  28  -1.971   2.295  -8.934
  156    HG2  PRO  28           HG2      PRO  28  -1.851  -0.285  -8.033
  157    HG3  PRO  28           HG1      PRO  28  -0.625   0.943  -7.675
  158    HD2  PRO  28           HD2      PRO  28  -2.877  -0.043  -5.965
  159    HD3  PRO  28           HD1      PRO  28  -1.203   0.349  -5.511
  160    H    SER  29           HN       SER  29  -4.471   3.561  -5.224
  161    HA   SER  29           HA       SER  29  -6.876   3.864  -6.715
  162    HB2  SER  29           HB2      SER  29  -6.409   1.270  -5.689
  163    HB3  SER  29           HB1      SER  29  -7.639   2.003  -4.658
  164    HG   SER  29           HG       SER  29  -8.636   1.021  -6.412
  165    HA   PRO  30           HA       PRO  30  -7.439   6.778  -3.434
  166    HB2  PRO  30           HB2      PRO  30 -10.160   7.120  -3.643
  167    HB3  PRO  30           HB1      PRO  30  -8.975   7.902  -4.694
  168    HG2  PRO  30           HG2      PRO  30 -10.620   5.455  -5.185
  169    HG3  PRO  30           HG1      PRO  30 -10.224   6.781  -6.294
  170    HD2  PRO  30           HD2      PRO  30  -8.951   4.414  -6.403
  171    HD3  PRO  30           HD1      PRO  30  -8.115   5.943  -6.744
  172    H    LYS  31           HN       LYS  31 -10.602   5.271  -3.265
  173    HA   LYS  31           HA       LYS  31 -10.185   4.701  -0.458
  174    HB2  LYS  31           HB2      LYS  31 -12.640   3.883  -0.696
  175    HB3  LYS  31           HB1      LYS  31 -12.299   5.604  -0.803
  176    HG2  LYS  31           HG2      LYS  31 -12.097   4.885  -3.404
  177    HG3  LYS  31           HG1      LYS  31 -13.316   3.747  -2.831
  178    HD2  LYS  31           HD2      LYS  31 -14.866   5.358  -2.544
  179    HD3  LYS  31           HD1      LYS  31 -13.687   6.519  -1.930
  180    HE2  LYS  31           HE2      LYS  31 -12.863   6.688  -4.342
  181    HE3  LYS  31           HE1      LYS  31 -14.352   5.853  -4.784
  182    HZ1  LYS  31           HZ1      LYS  31 -15.002   7.957  -3.056
  183    HZ2  LYS  31           HZ2      LYS  31 -15.414   7.777  -4.686
  184    HZ3  LYS  31           HZ3      LYS  31 -13.986   8.577  -4.258
  185    H    ALA  32           HN       ALA  32  -8.453   3.136  -1.568
  186    HA   ALA  32           HA       ALA  32  -9.471   0.581  -2.389
  187    HB1  ALA  32           HB1      ALA  32  -6.794   0.285  -1.620
  188    HB2  ALA  32           HB2      ALA  32  -6.924   1.905  -2.303
  189    HB3  ALA  32           HB3      ALA  32  -7.427   0.506  -3.250
  190    H    VAL  33           HN       VAL  33  -8.765  -1.438  -1.248
  191    HA   VAL  33           HA       VAL  33  -9.175  -1.144   1.650
  192    HB   VAL  33           HB       VAL  33  -9.535  -3.745   0.205
  193   HG11  VAL  33          HG11      VAL  33 -10.938  -4.302   2.011
  194   HG12  VAL  33          HG12      VAL  33 -11.089  -2.620   2.518
  195   HG13  VAL  33          HG13      VAL  33  -9.560  -3.472   2.732
  196   HG21  VAL  33          HG21      VAL  33 -11.165  -2.913  -1.065
  197   HG22  VAL  33          HG22      VAL  33 -11.091  -1.349  -0.251
  198   HG23  VAL  33          HG23      VAL  33 -12.080  -2.647   0.418
  199    H    CYS  34           HN       CYS  34  -7.273  -1.205   2.664
  200    HA   CYS  34           HA       CYS  34  -4.944  -2.410   1.621
  201    HB2  CYS  34           HB2      CYS  34  -5.459  -0.592   3.591
  202    HB3  CYS  34           HB1      CYS  34  -5.023  -2.008   4.539
  203    H    CYS  35           HN       CYS  35  -5.150  -4.590   1.195
  204    HA   CYS  35           HA       CYS  35  -6.374  -6.512   2.787
  205    HB2  CYS  35           HB2      CYS  35  -5.011  -6.567   0.417
  206    HB3  CYS  35           HB1      CYS  35  -3.883  -7.402   1.479
  207    H    ASP  36           HN       ASP  36  -6.039  -6.801   4.854
  208    HA   ASP  36           HA       ASP  36  -3.392  -6.366   5.999
  209    HB2  ASP  36           HB2      ASP  36  -5.401  -5.252   6.973
  210    HB3  ASP  36           HB1      ASP  36  -5.999  -6.841   7.444
  211    H    ASP  37           HN       ASP  37  -5.386  -9.057   5.108
  212    HA   ASP  37           HA       ASP  37  -4.752 -10.914   7.066
  213    HB2  ASP  37           HB2      ASP  37  -5.306 -11.128   4.123
  214    HB3  ASP  37           HB1      ASP  37  -4.804 -12.557   5.023
  215    H    MET  38           HN       MET  38  -2.939  -9.852   4.257
  216    HA   MET  38           HA       MET  38  -0.522 -11.065   5.408
  217    HB2  MET  38           HB2      MET  38  -1.204 -10.905   2.462
  218    HB3  MET  38           HB1      MET  38   0.291 -11.535   3.138
  219    HG2  MET  38           HG2      MET  38  -0.640 -13.500   3.733
  220    HG3  MET  38           HG1      MET  38  -2.201 -12.773   4.110
  221    HE1  MET  38           HE1      MET  38  -3.831 -12.261   0.713
  222    HE2  MET  38           HE2      MET  38  -3.507 -11.567   2.301
  223    HE3  MET  38           HE3      MET  38  -4.375 -13.096   2.168
  224    H    GLN  39           HN       GLN  39  -0.407  -9.354   2.396
  225    HA   GLN  39           HA       GLN  39   0.019  -6.768   3.574
  226    HB2  GLN  39           HB2      GLN  39   2.219  -8.007   3.866
  227    HB3  GLN  39           HB1      GLN  39   2.343  -8.026   2.113
  228    HG2  GLN  39           HG2      GLN  39   2.943  -5.873   2.002
  229    HG3  GLN  39           HG1      GLN  39   1.813  -5.387   3.265
  230   HE21  GLN  39          HE21      GLN  39   2.635  -6.927   5.365
  231   HE22  GLN  39          HE22      GLN  39   4.232  -6.469   5.838
  232    H    HIS  40           HN       HIS  40  -1.795  -6.355   2.096
  233    HA   HIS  40           HA       HIS  40  -0.783  -5.733  -0.567
  234    HB2  HIS  40           HB2      HIS  40  -2.371  -8.079  -0.061
  235    HB3  HIS  40           HB1      HIS  40  -3.219  -6.988  -1.154
  236    HD1  HIS  40           HD1      HIS  40  -1.997  -6.427  -3.426
  237    HD2  HIS  40           HD2      HIS  40  -0.220  -9.414  -1.150
  238    HE1  HIS  40           HE1      HIS  40  -0.395  -7.590  -4.977
  239    HE2  HIS  40           HE2      HIS  40   0.741  -9.327  -3.551
  240    H    CYS  41           HN       CYS  41  -2.846  -5.110  -1.989
  241    HA   CYS  41           HA       CYS  41  -4.619  -3.335  -0.474
  242    HB2  CYS  41           HB2      CYS  41  -2.370  -2.357  -1.706
  243    HB3  CYS  41           HB1      CYS  41  -3.574  -2.183  -2.977
  244    H    CYS  42           HN       CYS  42  -6.608  -2.950  -1.498
  245    HA   CYS  42           HA       CYS  42  -7.066  -4.485  -3.973
  246    HB2  CYS  42           HB2      CYS  42  -8.490  -4.523  -1.397
  247    HB3  CYS  42           HB1      CYS  42  -9.536  -4.402  -2.806
  248    HA   PRO  43           HA       PRO  43  -8.148  -0.575  -5.796
  249    HB2  PRO  43           HB2      PRO  43  -9.925  -2.348  -7.417
  250    HB3  PRO  43           HB1      PRO  43  -8.800  -1.092  -7.949
  251    HG2  PRO  43           HG2      PRO  43  -8.125  -3.637  -8.187
  252    HG3  PRO  43           HG1      PRO  43  -6.933  -2.446  -7.628
  253    HD2  PRO  43           HD2      PRO  43  -8.467  -4.473  -6.053
  254    HD3  PRO  43           HD1      PRO  43  -6.782  -3.939  -5.868
  255    H    ALA  44           HN       ALA  44  -9.630   0.896  -5.324
  256    HA   ALA  44           HA       ALA  44 -11.629   0.610  -3.498
  257    HB1  ALA  44           HB1      ALA  44 -12.648   2.684  -4.608
  258    HB2  ALA  44           HB2      ALA  44 -11.298   2.579  -5.737
  259    HB3  ALA  44           HB3      ALA  44 -10.992   2.797  -4.014
  260    H    GLY  45           HN       GLY  45 -13.222  -0.844  -3.551
  261    HA2  GLY  45           HA2      GLY  45 -15.548  -1.004  -4.453
  262    HA3  GLY  45           HA1      GLY  45 -14.799  -1.056  -6.041
  263    H    TYR  46           HN       TYR  46 -12.703  -2.751  -4.236
  264    HA   TYR  46           HA       TYR  46 -14.185  -5.277  -4.550
  265    HB2  TYR  46           HB2      TYR  46 -11.248  -4.821  -5.127
  266    HB3  TYR  46           HB1      TYR  46 -12.100  -6.356  -5.259
  267    HD1  TYR  46           HD1      TYR  46 -10.815  -3.754  -7.112
  268    HD2  TYR  46           HD2      TYR  46 -14.342  -6.111  -6.794
  269    HE1  TYR  46           HE1      TYR  46 -11.364  -3.236  -9.452
  270    HE2  TYR  46           HE2      TYR  46 -14.901  -5.602  -9.134
  271    HH   TYR  46           HH       TYR  46 -13.795  -4.895 -11.179
  272    H    LYS  47           HN       LYS  47 -13.225  -7.074  -3.235
  273    HA   LYS  47           HA       LYS  47 -11.966  -6.086  -0.769
  274    HB2  LYS  47           HB2      LYS  47 -13.470  -7.275   0.617
  275    HB3  LYS  47           HB1      LYS  47 -14.471  -6.426  -0.552
  276    HG2  LYS  47           HG2      LYS  47 -15.412  -8.331  -1.164
  277    HG3  LYS  47           HG1      LYS  47 -13.836  -8.993  -1.602
  278    HD2  LYS  47           HD2      LYS  47 -14.279 -10.490   0.022
  279    HD3  LYS  47           HD1      LYS  47 -13.748  -9.197   1.101
  280    HE2  LYS  47           HE2      LYS  47 -16.599  -9.739   0.275
  281    HE3  LYS  47           HE1      LYS  47 -15.877 -10.183   1.822
  282    HZ1  LYS  47           HZ1      LYS  47 -15.674  -7.948   2.438
  283    HZ2  LYS  47           HZ2      LYS  47 -17.218  -8.059   1.755
  284    HZ3  LYS  47           HZ3      LYS  47 -15.947  -7.382   0.867
  285    H    CYS  48           HN       CYS  48 -10.968  -7.796   0.538
  286    HA   CYS  48           HA       CYS  48  -9.543  -9.660  -1.164
  287    HB2  CYS  48           HB2      CYS  48  -9.269  -8.857   1.731
  288    HB3  CYS  48           HB1      CYS  48  -8.337 -10.179   1.037
  289    H    GLY  49           HN       GLY  49 -10.197 -11.677  -1.500
  290    HA2  GLY  49           HA2      GLY  49 -12.288 -12.825   0.155
  291    HA3  GLY  49           HA1      GLY  49 -11.631 -13.510  -1.324
  292    HA   PRO  50           HA       PRO  50 -10.096 -15.802   2.554
  293    HB2  PRO  50           HB2      PRO  50 -11.145 -18.112   1.031
  294    HB3  PRO  50           HB1      PRO  50 -11.331 -17.714   2.741
  295    HG2  PRO  50           HG2      PRO  50 -13.369 -17.455   1.032
  296    HG3  PRO  50           HG1      PRO  50 -13.121 -16.300   2.354
  297    HD2  PRO  50           HD2      PRO  50 -12.488 -16.014  -0.557
  298    HD3  PRO  50           HD1      PRO  50 -13.157 -14.819   0.575
  299    H    GLY  51           HN       GLY  51  -9.879 -16.190  -0.909
  300    HA2  GLY  51           HA2      GLY  51  -7.368 -17.695  -0.623
  301    HA3  GLY  51           HA1      GLY  51  -8.312 -17.553  -2.098
  302    H    GLY  52           HN       GLY  52  -7.616 -14.783  -0.089
  303    HA2  GLY  52           HA2      GLY  52  -6.523 -12.819  -0.579
  304    HA3  GLY  52           HA1      GLY  52  -5.222 -13.877  -1.102
  305    H    THR  53           HN       THR  53  -7.936 -11.922  -2.115
  306    HA   THR  53           HA       THR  53  -6.810 -11.357  -4.634
  307    HB   THR  53           HB       THR  53  -9.105 -12.411  -5.702
  308    HG1  THR  53           HG1      THR  53  -9.674 -13.741  -4.063
  309   HG21  THR  53          HG21      THR  53  -7.638 -13.350  -7.105
  310   HG22  THR  53          HG22      THR  53  -6.915 -14.320  -5.822
  311   HG23  THR  53          HG23      THR  53  -6.377 -12.661  -6.081
  312    H    CYS  54           HN       CYS  54  -8.051  -9.748  -5.773
  313    HA   CYS  54           HA       CYS  54  -9.944  -8.386  -4.026
  314    HB2  CYS  54           HB2      CYS  54  -8.565  -7.519  -6.573
  315    HB3  CYS  54           HB1      CYS  54  -9.699  -6.518  -5.676
  316    H    ILE  55           HN       ILE  55 -11.853  -9.510  -4.236
  317    HA   ILE  55           HA       ILE  55 -12.980  -9.767  -6.940
  318    HB   ILE  55           HB       ILE  55 -14.728 -11.190  -5.686
  319   HG12  ILE  55          HG12      ILE  55 -12.556 -11.724  -3.713
  320   HG13  ILE  55          HG11      ILE  55 -13.577 -10.314  -3.448
  321   HG21  ILE  55          HG21      ILE  55 -11.935 -12.301  -5.786
  322   HG22  ILE  55          HG22      ILE  55 -12.899 -11.979  -7.228
  323   HG23  ILE  55          HG23      ILE  55 -13.456 -13.157  -6.038
  324   HD11  ILE  55          HD11      ILE  55 -15.554 -11.758  -3.489
  325   HD12  ILE  55          HD12      ILE  55 -14.414 -12.221  -2.226
  326   HD13  ILE  55          HD13      ILE  55 -14.510 -13.162  -3.713
  327    H    SER  56           HN       SER  56 -15.534  -9.676  -6.796
  328    HA   SER  56           HA       SER  56 -16.247  -7.230  -5.317
  329    HB2  SER  56           HB2      SER  56 -15.977  -7.176  -7.946
  330    HB3  SER  56           HB1      SER  56 -17.593  -7.882  -7.906
  331    HG   SER  56           HG       SER  56 -17.632  -5.893  -6.204
  Start of MODEL   12
    1    H1   ASP   1           HT1      ASP   1   3.705  16.707  -4.291
    2    H2   ASP   1           HT2      ASP   1   4.137  16.641  -2.657
    3    H3   ASP   1           HT3      ASP   1   2.550  17.027  -3.098
    4    HA   ASP   1           HA       ASP   1   2.628  14.722  -4.271
    5    HB2  ASP   1           HB2      ASP   1   5.060  14.861  -2.678
    6    HB3  ASP   1           HB1      ASP   1   4.070  13.474  -2.234
    7    H    VAL   2           HN       VAL   2   2.298  12.760  -2.370
    8    HA   VAL   2           HA       VAL   2   0.257  13.937  -0.599
    9    HB   VAL   2           HB       VAL   2   0.219  11.080  -1.539
   10   HG11  VAL   2          HG11      VAL   2  -2.280  12.521  -1.056
   11   HG12  VAL   2          HG12      VAL   2  -1.237  12.393   0.361
   12   HG13  VAL   2          HG13      VAL   2  -1.754  10.937  -0.488
   13   HG21  VAL   2          HG21      VAL   2  -1.663  12.194  -3.093
   14   HG22  VAL   2          HG22      VAL   2  -0.000  11.935  -3.623
   15   HG23  VAL   2          HG23      VAL   2  -0.503  13.522  -3.039
   16    H    GLN   3           HN       GLN   3   0.682  13.796   1.497
   17    HA   GLN   3           HA       GLN   3   2.858  12.182   2.463
   18    HB2  GLN   3           HB2      GLN   3   1.192  14.363   3.476
   19    HB3  GLN   3           HB1      GLN   3   1.569  13.156   4.698
   20    HG2  GLN   3           HG2      GLN   3   3.985  13.411   4.036
   21    HG3  GLN   3           HG1      GLN   3   3.487  14.807   3.081
   22   HE21  GLN   3          HE21      GLN   3   4.791  13.943   5.923
   23   HE22  GLN   3          HE22      GLN   3   4.304  15.277   6.907
   24    H    CYS   4           HN       CYS   4   2.564  10.061   2.660
   25    HA   CYS   4           HA       CYS   4   0.283   8.597   2.797
   26    HB2  CYS   4           HB2      CYS   4   2.936   8.032   4.126
   27    HB3  CYS   4           HB1      CYS   4   1.652   6.842   3.956
   28    H    GLY   5           HN       GLY   5   1.674  10.461   5.368
   29    HA2  GLY   5           HA2      GLY   5  -0.229  10.981   7.023
   30    HA3  GLY   5           HA1      GLY   5  -0.182   9.245   7.302
   31    H    GLY   6           HN       GLY   6   2.012   8.362   7.928
   32    HA2  GLY   6           HA2      GLY   6   2.921   9.708  10.238
   33    HA3  GLY   6           HA1      GLY   6   3.681   8.307   9.497
   34    H    GLY   7           HN       GLY   7   4.861   8.878   7.353
   35    HA2  GLY   7           HA2      GLY   7   5.942  11.550   7.240
   36    HA3  GLY   7           HA1      GLY   7   7.075  10.364   7.859
   37    H    PHE   8           HN       PHE   8   5.060   8.839   5.622
   38    HA   PHE   8           HA       PHE   8   7.211   8.929   3.662
   39    HB2  PHE   8           HB2      PHE   8   4.945   7.108   4.233
   40    HB3  PHE   8           HB1      PHE   8   5.445   7.236   2.551
   41    HD1  PHE   8           HD1      PHE   8   6.802   5.527   1.890
   42    HD2  PHE   8           HD2      PHE   8   7.219   7.056   5.840
   43    HE1  PHE   8           HE1      PHE   8   8.639   3.944   2.303
   44    HE2  PHE   8           HE2      PHE   8   9.059   5.476   6.260
   45    HZ   PHE   8           HZ       PHE   8   9.771   3.918   4.491
   46    H    SER   9           HN       SER   9   6.193   8.620   1.289
   47    HA   SER   9           HA       SER   9   4.029  10.453   0.740
   48    HB2  SER   9           HB2      SER   9   6.073  11.405  -0.959
   49    HB3  SER   9           HB1      SER   9   5.285  12.273   0.358
   50    HG   SER   9           HG       SER   9   7.710  10.847   0.366
   51    H    CYS  10           HN       CYS  10   3.270  10.306  -1.428
   52    HA   CYS  10           HA       CYS  10   4.569   8.331  -3.140
   53    HB2  CYS  10           HB2      CYS  10   1.949   8.000  -1.798
   54    HB3  CYS  10           HB1      CYS  10   2.060   7.480  -3.473
   55    H    HIS  11           HN       HIS  11   2.807   8.041  -5.135
   56    HA   HIS  11           HA       HIS  11   2.838  10.676  -6.341
   57    HB2  HIS  11           HB2      HIS  11   2.181   7.977  -7.526
   58    HB3  HIS  11           HB1      HIS  11   2.343   9.476  -8.434
   59    HD1  HIS  11           HD1      HIS  11   4.940  10.483  -6.947
   60    HD2  HIS  11           HD2      HIS  11   4.379   6.703  -8.581
   61    HE1  HIS  11           HE1      HIS  11   7.249   9.596  -7.398
   62    HE2  HIS  11           HE2      HIS  11   6.887   7.278  -8.319
   63    H    ASP  12           HN       ASP  12   1.140  11.654  -7.385
   64    HA   ASP  12           HA       ASP  12  -1.316  11.732  -6.071
   65    HB2  ASP  12           HB2      ASP  12  -0.087  13.091  -8.239
   66    HB3  ASP  12           HB1      ASP  12  -1.668  12.554  -8.798
   67    H    GLY  13           HN       GLY  13  -3.266  10.747  -6.373
   68    HA2  GLY  13           HA2      GLY  13  -4.869   9.430  -7.469
   69    HA3  GLY  13           HA1      GLY  13  -3.664   9.009  -8.677
   70    H    GLU  14           HN       GLU  14  -2.057   8.582  -5.912
   71    HA   GLU  14           HA       GLU  14  -2.786   5.730  -5.814
   72    HB2  GLU  14           HB2      GLU  14  -0.605   5.219  -5.431
   73    HB3  GLU  14           HB1      GLU  14  -0.354   6.765  -6.229
   74    HG2  GLU  14           HG2      GLU  14   0.955   7.106  -4.431
   75    HG3  GLU  14           HG1      GLU  14  -0.575   7.643  -3.736
   76    H    THR  15           HN       THR  15  -2.406   4.682  -3.596
   77    HA   THR  15           HA       THR  15  -3.377   6.448  -1.452
   78    HB   THR  15           HB       THR  15  -4.221   3.570  -1.854
   79    HG1  THR  15           HG1      THR  15  -5.998   4.325  -2.822
   80   HG21  THR  15          HG21      THR  15  -4.641   5.597   0.257
   81   HG22  THR  15          HG22      THR  15  -4.611   3.837   0.364
   82   HG23  THR  15          HG23      THR  15  -6.060   4.661  -0.214
   83    H    CYS  16           HN       CYS  16  -2.302   6.299   0.439
   84    HA   CYS  16           HA       CYS  16  -0.061   4.438   0.579
   85    HB2  CYS  16           HB2      CYS  16  -0.837   6.861   2.197
   86    HB3  CYS  16           HB1      CYS  16   0.482   5.795   2.676
   87    H    CYS  17           HN       CYS  17  -0.039   2.664   1.831
   88    HA   CYS  17           HA       CYS  17  -2.180   2.385   3.838
   89    HB2  CYS  17           HB2      CYS  17  -2.908   0.738   2.466
   90    HB3  CYS  17           HB1      CYS  17  -1.357   0.603   1.642
   91    HA   PRO  18           HA       PRO  18   1.224   1.515   6.578
   92    HB2  PRO  18           HB2      PRO  18  -0.176   1.273   8.833
   93    HB3  PRO  18           HB1      PRO  18  -0.086   2.831   7.998
   94    HG2  PRO  18           HG2      PRO  18  -2.299   0.820   8.024
   95    HG3  PRO  18           HG1      PRO  18  -2.390   2.588   8.088
   96    HD2  PRO  18           HD2      PRO  18  -2.735   1.039   5.796
   97    HD3  PRO  18           HD1      PRO  18  -2.356   2.771   5.819
   98    H    THR  19           HN       THR  19   1.996  -0.513   5.903
   99    HA   THR  19           HA       THR  19   0.466  -2.895   6.556
  100    HB   THR  19           HB       THR  19   1.982  -4.121   5.223
  101    HG1  THR  19           HG1      THR  19   3.953  -3.058   4.456
  102   HG21  THR  19          HG21      THR  19   1.833  -3.065   3.122
  103   HG22  THR  19          HG22      THR  19   1.941  -1.454   3.831
  104   HG23  THR  19          HG23      THR  19   0.480  -2.419   4.051
  105    H    SER  20           HN       SER  20   2.615  -0.972   8.204
  106    HA   SER  20           HA       SER  20   3.151  -3.102  10.098
  107    HB2  SER  20           HB2      SER  20   5.474  -1.453   9.106
  108    HB3  SER  20           HB1      SER  20   5.517  -2.886  10.133
  109    HG   SER  20           HG       SER  20   4.952  -2.709   7.371
  110    H    GLN  21           HN       GLN  21   5.197  -0.335  10.183
  111    HA   GLN  21           HA       GLN  21   3.386   1.137  11.937
  112    HB2  GLN  21           HB2      GLN  21   5.772   1.350  13.301
  113    HB3  GLN  21           HB1      GLN  21   4.407   0.350  13.776
  114    HG2  GLN  21           HG2      GLN  21   5.763  -1.395  13.685
  115    HG3  GLN  21           HG1      GLN  21   5.806  -1.193  11.933
  116   HE21  GLN  21          HE21      GLN  21   7.807  -1.371  11.246
  117   HE22  GLN  21          HE22      GLN  21   9.206  -0.676  11.982
  118    H    THR  22           HN       THR  22   6.868   1.265  11.202
  119    HA   THR  22           HA       THR  22   6.563   4.082  10.481
  120    HB   THR  22           HB       THR  22   8.881   4.343  10.789
  121    HG1  THR  22           HG1      THR  22  10.257   2.454  11.023
  122   HG21  THR  22          HG21      THR  22   7.864   2.317  12.781
  123   HG22  THR  22          HG22      THR  22   7.801   4.075  12.915
  124   HG23  THR  22          HG23      THR  22   9.353   3.240  12.985
  125    H    THR  23           HN       THR  23   6.024   1.467   8.845
  126    HA   THR  23           HA       THR  23   7.483   2.336   6.435
  127    HB   THR  23           HB       THR  23   6.423  -0.301   6.098
  128    HG1  THR  23           HG1      THR  23   7.865   0.171   8.494
  129   HG21  THR  23          HG21      THR  23   8.279   0.570   4.824
  130   HG22  THR  23          HG22      THR  23   8.823  -0.840   5.734
  131   HG23  THR  23          HG23      THR  23   9.235   0.782   6.291
  132    H    TRP  24           HN       TRP  24   6.263   3.168   4.881
  133    HA   TRP  24           HA       TRP  24   3.382   2.562   4.893
  134    HB2  TRP  24           HB2      TRP  24   4.923   5.060   4.367
  135    HB3  TRP  24           HB1      TRP  24   3.418   4.815   3.485
  136    HD1  TRP  24           HD1      TRP  24   4.753   5.630   6.940
  137    HE1  TRP  24           HE1      TRP  24   2.779   6.205   8.491
  138    HE3  TRP  24           HE3      TRP  24   0.920   4.286   3.873
  139    HZ2  TRP  24           HZ2      TRP  24  -0.048   6.094   8.412
  140    HZ3  TRP  24           HZ3      TRP  24  -1.393   4.539   4.675
  141    HH2  TRP  24           HH2      TRP  24  -1.861   5.424   6.896
  142    H    GLY  25           HN       GLY  25   2.674   1.366   3.275
  143    HA2  GLY  25           HA2      GLY  25   4.350   0.914   0.947
  144    HA3  GLY  25           HA1      GLY  25   2.870   0.059   1.352
  145    H    CYS  26           HN       CYS  26   3.807   1.289  -1.172
  146    HA   CYS  26           HA       CYS  26   1.822   3.403  -1.588
  147    HB2  CYS  26           HB2      CYS  26   4.388   3.304  -2.388
  148    HB3  CYS  26           HB1      CYS  26   3.629   2.554  -3.786
  149    H    CYS  27           HN       CYS  27  -0.121   2.798  -2.264
  150    HA   CYS  27           HA       CYS  27  -0.387   0.369  -3.900
  151    HB2  CYS  27           HB2      CYS  27  -2.218   1.769  -1.980
  152    HB3  CYS  27           HB1      CYS  27  -2.892   0.726  -3.228
  153    HA   PRO  28           HA       PRO  28  -1.403   3.194  -7.224
  154    HB2  PRO  28           HB2      PRO  28  -1.665   1.381  -9.185
  155    HB3  PRO  28           HB1      PRO  28  -0.086   1.798  -8.509
  156    HG2  PRO  28           HG2      PRO  28  -1.821  -0.574  -7.949
  157    HG3  PRO  28           HG1      PRO  28  -0.063  -0.498  -8.167
  158    HD2  PRO  28           HD2      PRO  28  -1.310  -0.606  -5.721
  159    HD3  PRO  28           HD1      PRO  28   0.300   0.090  -5.987
  160    H    SER  29           HN       SER  29  -3.460   3.779  -6.242
  161    HA   SER  29           HA       SER  29  -5.675   3.224  -7.876
  162    HB2  SER  29           HB2      SER  29  -6.943   2.197  -5.699
  163    HB3  SER  29           HB1      SER  29  -6.263   1.214  -6.997
  164    HG   SER  29           HG       SER  29  -5.160   1.804  -4.465
  165    HA   PRO  30           HA       PRO  30  -7.094   6.996  -6.069
  166    HB2  PRO  30           HB2      PRO  30  -9.849   5.898  -6.136
  167    HB3  PRO  30           HB1      PRO  30  -9.197   7.350  -6.904
  168    HG2  PRO  30           HG2      PRO  30  -9.775   5.193  -8.355
  169    HG3  PRO  30           HG1      PRO  30  -8.337   6.169  -8.708
  170    HD2  PRO  30           HD2      PRO  30  -8.540   3.550  -7.266
  171    HD3  PRO  30           HD1      PRO  30  -7.340   4.086  -8.462
  172    H    LYS  31           HN       LYS  31  -9.507   4.688  -4.860
  173    HA   LYS  31           HA       LYS  31  -8.980   5.614  -2.127
  174    HB2  LYS  31           HB2      LYS  31 -11.287   4.157  -3.405
  175    HB3  LYS  31           HB1      LYS  31 -11.092   4.205  -1.658
  176    HG2  LYS  31           HG2      LYS  31 -11.074   6.748  -3.217
  177    HG3  LYS  31           HG1      LYS  31 -12.603   5.946  -2.853
  178    HD2  LYS  31           HD2      LYS  31 -12.479   6.423  -0.641
  179    HD3  LYS  31           HD1      LYS  31 -10.722   6.258  -0.596
  180    HE2  LYS  31           HE2      LYS  31 -10.385   8.445  -0.993
  181    HE3  LYS  31           HE1      LYS  31 -11.692   8.531  -2.174
  182    HZ1  LYS  31           HZ1      LYS  31 -11.867   8.757   0.771
  183    HZ2  LYS  31           HZ2      LYS  31 -13.228   8.425  -0.177
  184    HZ3  LYS  31           HZ3      LYS  31 -12.374   9.868  -0.401
  185    H    ALA  32           HN       ALA  32 -10.143   2.519  -3.308
  186    HA   ALA  32           HA       ALA  32  -9.519   0.374  -2.992
  187    HB1  ALA  32           HB1      ALA  32  -7.687   0.448  -4.276
  188    HB2  ALA  32           HB2      ALA  32  -6.853   0.217  -2.740
  189    HB3  ALA  32           HB3      ALA  32  -7.009   1.835  -3.425
  190    H    VAL  33           HN       VAL  33  -9.209  -1.154  -1.490
  191    HA   VAL  33           HA       VAL  33  -8.653  -0.252   1.254
  192    HB   VAL  33           HB       VAL  33  -9.859  -2.913   0.522
  193   HG11  VAL  33          HG11      VAL  33  -8.962  -2.223   2.861
  194   HG12  VAL  33          HG12      VAL  33 -10.517  -3.046   2.733
  195   HG13  VAL  33          HG13      VAL  33 -10.461  -1.297   2.963
  196   HG21  VAL  33          HG21      VAL  33 -11.467  -1.641  -0.498
  197   HG22  VAL  33          HG22      VAL  33 -11.160  -0.237   0.524
  198   HG23  VAL  33          HG23      VAL  33 -12.063  -1.611   1.163
  199    H    CYS  34           HN       CYS  34  -6.647  -0.700   1.963
  200    HA   CYS  34           HA       CYS  34  -4.868  -2.349   0.528
  201    HB2  CYS  34           HB2      CYS  34  -4.042  -0.484   1.817
  202    HB3  CYS  34           HB1      CYS  34  -4.643  -1.196   3.313
  203    H    CYS  35           HN       CYS  35  -5.298  -4.490   0.349
  204    HA   CYS  35           HA       CYS  35  -6.488  -6.152   2.227
  205    HB2  CYS  35           HB2      CYS  35  -5.457  -6.492  -0.298
  206    HB3  CYS  35           HB1      CYS  35  -4.341  -7.437   0.682
  207    H    ASP  36           HN       ASP  36  -5.891  -6.525   4.228
  208    HA   ASP  36           HA       ASP  36  -3.164  -6.127   5.083
  209    HB2  ASP  36           HB2      ASP  36  -5.342  -5.428   6.312
  210    HB3  ASP  36           HB1      ASP  36  -5.360  -7.097   6.877
  211    H    ASP  37           HN       ASP  37  -5.134  -8.889   4.259
  212    HA   ASP  37           HA       ASP  37  -4.276 -10.904   5.834
  213    HB2  ASP  37           HB2      ASP  37  -5.065 -10.675   3.017
  214    HB3  ASP  37           HB1      ASP  37  -4.049 -12.073   3.355
  215    H    MET  38           HN       MET  38  -2.469  -9.506   3.138
  216    HA   MET  38           HA       MET  38  -0.004 -10.586   4.310
  217    HB2  MET  38           HB2      MET  38  -0.896 -10.760   1.437
  218    HB3  MET  38           HB1      MET  38   0.804 -10.838   1.879
  219    HG2  MET  38           HG2      MET  38   0.563 -12.869   2.963
  220    HG3  MET  38           HG1      MET  38  -1.177 -12.668   3.164
  221    HE1  MET  38           HE1      MET  38   0.560 -15.449   0.403
  222    HE2  MET  38           HE2      MET  38  -0.189 -15.585   1.993
  223    HE3  MET  38           HE3      MET  38   1.286 -14.640   1.793
  224    H    GLN  39           HN       GLN  39  -0.245  -8.878   1.257
  225    HA   GLN  39           HA       GLN  39   0.184  -6.291   2.384
  226    HB2  GLN  39           HB2      GLN  39   2.483  -7.343   2.478
  227    HB3  GLN  39           HB1      GLN  39   2.428  -7.456   0.724
  228    HG2  GLN  39           HG2      GLN  39   2.280  -5.050   0.538
  229    HG3  GLN  39           HG1      GLN  39   2.228  -4.896   2.294
  230   HE21  GLN  39          HE21      GLN  39   4.249  -6.950   0.246
  231   HE22  GLN  39          HE22      GLN  39   5.757  -6.299   0.778
  232    H    HIS  40           HN       HIS  40  -1.815  -6.091   1.093
  233    HA   HIS  40           HA       HIS  40  -1.149  -5.462  -1.684
  234    HB2  HIS  40           HB2      HIS  40  -3.234  -7.506  -0.923
  235    HB3  HIS  40           HB1      HIS  40  -3.142  -6.757  -2.512
  236    HD1  HIS  40           HD1      HIS  40  -0.844  -7.243  -3.851
  237    HD2  HIS  40           HD2      HIS  40  -1.651  -9.694  -0.595
  238    HE1  HIS  40           HE1      HIS  40   0.649  -9.248  -4.131
  239    HE2  HIS  40           HE2      HIS  40   0.168 -10.702  -2.131
  240    H    CYS  41           HN       CYS  41  -3.450  -4.978  -2.814
  241    HA   CYS  41           HA       CYS  41  -5.164  -3.394  -1.091
  242    HB2  CYS  41           HB2      CYS  41  -4.599  -1.789  -3.394
  243    HB3  CYS  41           HB1      CYS  41  -4.382  -1.385  -1.695
  244    H    CYS  42           HN       CYS  42  -7.209  -3.003  -1.998
  245    HA   CYS  42           HA       CYS  42  -7.721  -4.410  -4.533
  246    HB2  CYS  42           HB2      CYS  42  -9.042  -4.628  -1.887
  247    HB3  CYS  42           HB1      CYS  42 -10.095  -4.655  -3.297
  248    HA   PRO  43           HA       PRO  43  -9.279  -0.609  -6.163
  249    HB2  PRO  43           HB2      PRO  43 -11.392  -1.781  -7.608
  250    HB3  PRO  43           HB1      PRO  43  -9.767  -1.438  -8.206
  251    HG2  PRO  43           HG2      PRO  43 -10.915  -3.986  -7.183
  252    HG3  PRO  43           HG1      PRO  43  -9.707  -3.723  -8.455
  253    HD2  PRO  43           HD2      PRO  43  -9.004  -4.625  -6.037
  254    HD3  PRO  43           HD1      PRO  43  -7.973  -3.483  -6.927
  255    H    ALA  44           HN       ALA  44 -10.588   0.856  -5.334
  256    HA   ALA  44           HA       ALA  44 -12.258   0.559  -3.212
  257    HB1  ALA  44           HB1      ALA  44 -11.990   2.765  -3.549
  258    HB2  ALA  44           HB2      ALA  44 -13.492   2.623  -4.463
  259    HB3  ALA  44           HB3      ALA  44 -11.942   2.596  -5.304
  260    H    GLY  45           HN       GLY  45 -14.239  -0.236  -2.827
  261    HA2  GLY  45           HA2      GLY  45 -16.527  -0.588  -3.396
  262    HA3  GLY  45           HA1      GLY  45 -16.069  -0.599  -5.094
  263    H    TYR  46           HN       TYR  46 -13.710  -2.372  -3.807
  264    HA   TYR  46           HA       TYR  46 -15.238  -4.871  -4.105
  265    HB2  TYR  46           HB2      TYR  46 -12.400  -4.161  -4.823
  266    HB3  TYR  46           HB1      TYR  46 -12.921  -5.835  -4.663
  267    HD1  TYR  46           HD1      TYR  46 -14.110  -2.702  -6.333
  268    HD2  TYR  46           HD2      TYR  46 -13.514  -6.905  -6.616
  269    HE1  TYR  46           HE1      TYR  46 -14.943  -2.658  -8.646
  270    HE2  TYR  46           HE2      TYR  46 -14.345  -6.872  -8.931
  271    HH   TYR  46           HH       TYR  46 -15.047  -5.607 -10.621
  272    H    LYS  47           HN       LYS  47 -14.333  -6.743  -2.905
  273    HA   LYS  47           HA       LYS  47 -13.254  -5.918  -0.287
  274    HB2  LYS  47           HB2      LYS  47 -15.486  -6.530   0.142
  275    HB3  LYS  47           HB1      LYS  47 -15.434  -7.867  -0.995
  276    HG2  LYS  47           HG2      LYS  47 -13.550  -8.129   1.224
  277    HG3  LYS  47           HG1      LYS  47 -15.245  -8.083   1.713
  278    HD2  LYS  47           HD2      LYS  47 -14.354  -9.849  -0.537
  279    HD3  LYS  47           HD1      LYS  47 -14.156 -10.364   1.139
  280    HE2  LYS  47           HE2      LYS  47 -16.566 -10.196  -0.505
  281    HE3  LYS  47           HE1      LYS  47 -16.233 -11.177   0.920
  282    HZ1  LYS  47           HZ1      LYS  47 -17.147  -8.358   0.844
  283    HZ2  LYS  47           HZ2      LYS  47 -16.586  -9.108   2.252
  284    HZ3  LYS  47           HZ3      LYS  47 -17.970  -9.695   1.475
  285    H    CYS  48           HN       CYS  48 -11.904  -7.503   0.808
  286    HA   CYS  48           HA       CYS  48 -10.317  -9.031  -1.085
  287    HB2  CYS  48           HB2      CYS  48  -9.954  -8.039   1.701
  288    HB3  CYS  48           HB1      CYS  48  -9.060  -9.480   1.231
  289    H    GLY  49           HN       GLY  49 -10.239 -11.225  -1.205
  290    HA2  GLY  49           HA2      GLY  49 -12.070 -12.688   0.586
  291    HA3  GLY  49           HA1      GLY  49 -11.712 -13.156  -1.069
  292    HA   PRO  50           HA       PRO  50  -9.175 -15.678   2.037
  293    HB2  PRO  50           HB2      PRO  50 -10.036 -17.780   0.119
  294    HB3  PRO  50           HB1      PRO  50  -9.971 -17.824   1.884
  295    HG2  PRO  50           HG2      PRO  50 -12.302 -17.611   0.611
  296    HG3  PRO  50           HG1      PRO  50 -11.999 -16.724   2.118
  297    HD2  PRO  50           HD2      PRO  50 -11.997 -15.730  -0.702
  298    HD3  PRO  50           HD1      PRO  50 -12.589 -14.939   0.774
  299    H    GLY  51           HN       GLY  51  -7.059 -15.619   1.661
  300    HA2  GLY  51           HA2      GLY  51  -5.053 -16.089   0.592
  301    HA3  GLY  51           HA1      GLY  51  -5.954 -16.642  -0.810
  302    H    GLY  52           HN       GLY  52  -7.009 -13.633   0.248
  303    HA2  GLY  52           HA2      GLY  52  -6.615 -11.468  -0.446
  304    HA3  GLY  52           HA1      GLY  52  -5.048 -11.995  -1.042
  305    H    THR  53           HN       THR  53  -8.271 -11.191  -1.848
  306    HA   THR  53           HA       THR  53  -7.651 -11.063  -4.634
  307    HB   THR  53           HB       THR  53  -9.891 -12.509  -5.028
  308    HG1  THR  53           HG1      THR  53  -9.377 -14.496  -3.691
  309   HG21  THR  53          HG21      THR  53  -7.389 -14.100  -4.829
  310   HG22  THR  53          HG22      THR  53  -7.374 -12.676  -5.871
  311   HG23  THR  53          HG23      THR  53  -8.543 -13.965  -6.156
  312    H    CYS  54           HN       CYS  54  -9.009  -9.662  -5.703
  313    HA   CYS  54           HA       CYS  54 -10.899  -8.234  -4.019
  314    HB2  CYS  54           HB2      CYS  54 -10.029  -7.551  -6.826
  315    HB3  CYS  54           HB1      CYS  54 -10.800  -6.485  -5.655
  316    H    ILE  55           HN       ILE  55 -12.838  -9.162  -3.930
  317    HA   ILE  55           HA       ILE  55 -14.126  -9.964  -6.457
  318    HB   ILE  55           HB       ILE  55 -15.655 -10.958  -4.315
  319   HG12  ILE  55          HG12      ILE  55 -12.757 -11.752  -3.982
  320   HG13  ILE  55          HG11      ILE  55 -13.552 -10.562  -2.958
  321   HG21  ILE  55          HG21      ILE  55 -15.655 -12.741  -5.646
  322   HG22  ILE  55          HG22      ILE  55 -13.903 -12.911  -5.547
  323   HG23  ILE  55          HG23      ILE  55 -14.616 -11.813  -6.728
  324   HD11  ILE  55          HD11      ILE  55 -14.891 -12.142  -1.942
  325   HD12  ILE  55          HD12      ILE  55 -13.370 -13.009  -2.163
  326   HD13  ILE  55          HD13      ILE  55 -14.716 -13.293  -3.267
  327    H    SER  56           HN       SER  56 -16.427  -9.542  -6.654
  328    HA   SER  56           HA       SER  56 -17.107  -6.935  -5.569
  329    HB2  SER  56           HB2      SER  56 -17.957  -8.570  -7.872
  330    HB3  SER  56           HB1      SER  56 -19.241  -7.624  -7.120
  331    HG   SER  56           HG       SER  56 -17.512  -5.868  -7.256
  Start of MODEL   13
    1    H1   ASP   1           HT1      ASP   1   3.622  16.777  -4.420
    2    H2   ASP   1           HT2      ASP   1   4.995  16.289  -5.279
    3    H3   ASP   1           HT3      ASP   1   5.159  16.961  -3.735
    4    HA   ASP   1           HA       ASP   1   4.149  14.302  -4.499
    5    HB2  ASP   1           HB2      ASP   1   5.733  13.708  -2.585
    6    HB3  ASP   1           HB1      ASP   1   6.477  14.345  -4.048
    7    H    VAL   2           HN       VAL   2   3.441  12.973  -2.597
    8    HA   VAL   2           HA       VAL   2   1.815  14.593  -0.743
    9    HB   VAL   2           HB       VAL   2   0.986  11.840  -1.595
   10   HG11  VAL   2          HG11      VAL   2  -1.135  12.462  -0.823
   11   HG12  VAL   2          HG12      VAL   2  -0.743  14.181  -0.859
   12   HG13  VAL   2          HG13      VAL   2  -0.019  13.136   0.364
   13   HG21  VAL   2          HG21      VAL   2  -0.576  13.569  -3.085
   14   HG22  VAL   2          HG22      VAL   2   0.709  12.528  -3.698
   15   HG23  VAL   2          HG23      VAL   2   1.059  14.205  -3.276
   16    H    GLN   3           HN       GLN   3   1.997  14.152   1.373
   17    HA   GLN   3           HA       GLN   3   3.852  12.052   2.176
   18    HB2  GLN   3           HB2      GLN   3   3.061  14.631   3.217
   19    HB3  GLN   3           HB1      GLN   3   2.927  13.394   4.459
   20    HG2  GLN   3           HG2      GLN   3   5.369  12.885   3.252
   21    HG3  GLN   3           HG1      GLN   3   5.276  14.644   3.333
   22   HE21  GLN   3          HE21      GLN   3   7.128  13.127   4.764
   23   HE22  GLN   3          HE22      GLN   3   6.789  13.289   6.450
   24    H    CYS   4           HN       CYS   4   3.193  10.145   2.916
   25    HA   CYS   4           HA       CYS   4   0.505   9.389   3.047
   26    HB2  CYS   4           HB2      CYS   4   2.786   8.024   4.486
   27    HB3  CYS   4           HB1      CYS   4   1.275   7.296   3.957
   28    H    GLY   5           HN       GLY   5   2.655   9.262   5.886
   29    HA2  GLY   5           HA2      GLY   5   0.918  10.915   7.470
   30    HA3  GLY   5           HA1      GLY   5   0.755   9.206   7.846
   31    H    GLY   6           HN       GLY   6   3.354  11.591   7.313
   32    HA2  GLY   6           HA2      GLY   6   5.222  12.067   8.569
   33    HA3  GLY   6           HA1      GLY   6   4.448  11.234   9.909
   34    H    GLY   7           HN       GLY   7   5.830  10.357   6.738
   35    HA2  GLY   7           HA2      GLY   7   7.976   8.877   7.707
   36    HA3  GLY   7           HA1      GLY   7   6.620   7.768   7.573
   37    H    PHE   8           HN       PHE   8   5.660   7.435   5.475
   38    HA   PHE   8           HA       PHE   8   7.672   7.574   3.377
   39    HB2  PHE   8           HB2      PHE   8   5.064   6.100   3.666
   40    HB3  PHE   8           HB1      PHE   8   5.915   6.174   2.129
   41    HD1  PHE   8           HD1      PHE   8   6.541   5.332   5.707
   42    HD2  PHE   8           HD2      PHE   8   7.412   4.514   1.623
   43    HE1  PHE   8           HE1      PHE   8   7.933   3.421   6.390
   44    HE2  PHE   8           HE2      PHE   8   8.806   2.602   2.298
   45    HZ   PHE   8           HZ       PHE   8   9.067   2.053   4.684
   46    H    SER   9           HN       SER   9   6.690   7.849   1.093
   47    HA   SER   9           HA       SER   9   4.676   9.951   0.955
   48    HB2  SER   9           HB2      SER   9   6.919  10.605  -0.779
   49    HB3  SER   9           HB1      SER   9   6.057  11.628   0.369
   50    HG   SER   9           HG       SER   9   8.179   9.832   0.935
   51    H    CYS  10           HN       CYS  10   3.848  10.249  -1.233
   52    HA   CYS  10           HA       CYS  10   4.646   8.212  -3.164
   53    HB2  CYS  10           HB2      CYS  10   2.005   8.346  -1.782
   54    HB3  CYS  10           HB1      CYS  10   2.044   7.853  -3.472
   55    H    HIS  11           HN       HIS  11   3.062   8.406  -5.103
   56    HA   HIS  11           HA       HIS  11   3.432  11.075  -6.132
   57    HB2  HIS  11           HB2      HIS  11   2.903   8.423  -7.245
   58    HB3  HIS  11           HB1      HIS  11   2.039   9.708  -8.081
   59    HD1  HIS  11           HD1      HIS  11   3.432   9.722 -10.194
   60    HD2  HIS  11           HD2      HIS  11   5.708  10.167  -6.745
   61    HE1  HIS  11           HE1      HIS  11   5.740  10.337 -10.984
   62    HE2  HIS  11           HE2      HIS  11   7.088  10.647  -8.879
   63    H    ASP  12           HN       ASP  12   1.857  12.462  -6.949
   64    HA   ASP  12           HA       ASP  12  -0.533  12.580  -5.423
   65    HB2  ASP  12           HB2      ASP  12  -0.988  14.627  -6.669
   66    HB3  ASP  12           HB1      ASP  12   0.695  14.589  -6.152
   67    H    GLY  13           HN       GLY  13  -0.585  10.152  -6.824
   68    HA2  GLY  13           HA2      GLY  13  -3.100  10.390  -8.161
   69    HA3  GLY  13           HA1      GLY  13  -1.771   9.838  -9.187
   70    H    GLU  14           HN       GLU  14  -1.449   9.234  -5.897
   71    HA   GLU  14           HA       GLU  14  -2.442   6.466  -6.104
   72    HB2  GLU  14           HB2      GLU  14  -0.016   6.805  -4.473
   73    HB3  GLU  14           HB1      GLU  14  -0.452   5.516  -5.583
   74    HG2  GLU  14           HG2      GLU  14   0.089   7.895  -7.067
   75    HG3  GLU  14           HG1      GLU  14   1.418   7.578  -5.954
   76    H    THR  15           HN       THR  15  -2.047   5.478  -3.678
   77    HA   THR  15           HA       THR  15  -2.885   7.457  -1.699
   78    HB   THR  15           HB       THR  15  -4.381   4.871  -2.232
   79    HG1  THR  15           HG1      THR  15  -4.702   7.400  -3.136
   80   HG21  THR  15          HG21      THR  15  -5.926   5.835  -0.450
   81   HG22  THR  15          HG22      THR  15  -4.600   6.923  -0.036
   82   HG23  THR  15          HG23      THR  15  -4.388   5.178   0.113
   83    H    CYS  16           HN       CYS  16  -2.068   7.071   0.311
   84    HA   CYS  16           HA       CYS  16  -0.189   4.859   0.550
   85    HB2  CYS  16           HB2      CYS  16  -0.696   7.308   2.240
   86    HB3  CYS  16           HB1      CYS  16   0.455   6.054   2.684
   87    H    CYS  17           HN       CYS  17  -0.566   3.062   1.707
   88    HA   CYS  17           HA       CYS  17  -2.814   3.088   3.609
   89    HB2  CYS  17           HB2      CYS  17  -3.665   1.160   2.764
   90    HB3  CYS  17           HB1      CYS  17  -2.849   1.703   1.303
   91    HA   PRO  18           HA       PRO  18   0.274   1.730   6.481
   92    HB2  PRO  18           HB2      PRO  18  -1.289   1.368   8.623
   93    HB3  PRO  18           HB1      PRO  18  -1.004   2.980   7.952
   94    HG2  PRO  18           HG2      PRO  18  -3.379   1.191   7.643
   95    HG3  PRO  18           HG1      PRO  18  -3.320   2.947   7.876
   96    HD2  PRO  18           HD2      PRO  18  -3.662   1.684   5.433
   97    HD3  PRO  18           HD1      PRO  18  -3.074   3.341   5.643
   98    H    THR  19           HN       THR  19   1.108  -0.217   5.933
   99    HA   THR  19           HA       THR  19  -0.476  -2.635   6.036
  100    HB   THR  19           HB       THR  19   1.092  -3.571   4.740
  101    HG1  THR  19           HG1      THR  19   3.477  -2.936   5.395
  102   HG21  THR  19          HG21      THR  19   1.915  -0.691   4.734
  103   HG22  THR  19          HG22      THR  19   1.107  -1.624   3.475
  104   HG23  THR  19          HG23      THR  19   2.823  -1.875   3.794
  105    H    SER  20           HN       SER  20   1.361  -0.855   8.255
  106    HA   SER  20           HA       SER  20   1.104  -2.979  10.209
  107    HB2  SER  20           HB2      SER  20   3.717  -2.119   9.105
  108    HB3  SER  20           HB1      SER  20   3.633  -2.294  10.858
  109    HG   SER  20           HG       SER  20   2.640  -4.425  10.335
  110    H    GLN  21           HN       GLN  21   3.403  -0.407  10.647
  111    HA   GLN  21           HA       GLN  21   1.521   1.417  11.840
  112    HB2  GLN  21           HB2      GLN  21   2.587   1.351  14.086
  113    HB3  GLN  21           HB1      GLN  21   1.726  -0.128  13.683
  114    HG2  GLN  21           HG2      GLN  21   4.132  -0.853  12.841
  115    HG3  GLN  21           HG1      GLN  21   4.628   0.346  14.036
  116   HE21  GLN  21          HE21      GLN  21   4.313  -0.056  16.196
  117   HE22  GLN  21          HE22      GLN  21   3.830  -1.597  16.808
  118    H    THR  22           HN       THR  22   4.629   0.513  10.746
  119    HA   THR  22           HA       THR  22   5.501   3.323  10.858
  120    HB   THR  22           HB       THR  22   7.784   2.668  11.210
  121    HG1  THR  22           HG1      THR  22   7.807   0.711  10.050
  122   HG21  THR  22          HG21      THR  22   7.669   1.644  13.423
  123   HG22  THR  22          HG22      THR  22   6.017   1.114  13.106
  124   HG23  THR  22          HG23      THR  22   6.383   2.835  13.225
  125    H    THR  23           HN       THR  23   4.593   0.801   8.957
  126    HA   THR  23           HA       THR  23   6.331   1.574   6.714
  127    HB   THR  23           HB       THR  23   4.497  -0.723   6.377
  128    HG1  THR  23           HG1      THR  23   5.382  -1.960   7.877
  129   HG21  THR  23          HG21      THR  23   5.926  -0.534   4.594
  130   HG22  THR  23          HG22      THR  23   6.861  -1.629   5.612
  131   HG23  THR  23          HG23      THR  23   7.248   0.091   5.580
  132    H    TRP  24           HN       TRP  24   5.318   1.834   4.597
  133    HA   TRP  24           HA       TRP  24   2.450   2.352   4.605
  134    HB2  TRP  24           HB2      TRP  24   4.564   4.448   4.336
  135    HB3  TRP  24           HB1      TRP  24   3.081   4.614   3.401
  136    HD1  TRP  24           HD1      TRP  24   4.464   5.080   6.867
  137    HE1  TRP  24           HE1      TRP  24   2.603   5.937   8.428
  138    HE3  TRP  24           HE3      TRP  24   0.458   4.391   3.788
  139    HZ2  TRP  24           HZ2      TRP  24  -0.205   6.273   8.354
  140    HZ3  TRP  24           HZ3      TRP  24  -1.783   4.999   4.601
  141    HH2  TRP  24           HH2      TRP  24  -2.104   5.917   6.834
  142    H    GLY  25           HN       GLY  25   1.764   1.194   2.930
  143    HA2  GLY  25           HA2      GLY  25   3.462   0.759   0.615
  144    HA3  GLY  25           HA1      GLY  25   1.893   0.025   0.913
  145    H    CYS  26           HN       CYS  26   2.980   1.308  -1.505
  146    HA   CYS  26           HA       CYS  26   1.250   3.658  -1.777
  147    HB2  CYS  26           HB2      CYS  26   3.793   3.366  -2.563
  148    HB3  CYS  26           HB1      CYS  26   2.994   2.771  -4.014
  149    H    CYS  27           HN       CYS  27  -0.599   3.605  -2.884
  150    HA   CYS  27           HA       CYS  27  -1.158   1.233  -4.546
  151    HB2  CYS  27           HB2      CYS  27  -2.779   2.647  -2.493
  152    HB3  CYS  27           HB1      CYS  27  -3.626   1.974  -3.882
  153    HA   PRO  28           HA       PRO  28  -1.803   4.329  -7.712
  154    HB2  PRO  28           HB2      PRO  28  -2.263   2.671  -9.767
  155    HB3  PRO  28           HB1      PRO  28  -0.652   2.842  -9.060
  156    HG2  PRO  28           HG2      PRO  28  -2.685   0.689  -8.642
  157    HG3  PRO  28           HG1      PRO  28  -0.930   0.548  -8.844
  158    HD2  PRO  28           HD2      PRO  28  -2.220   0.479  -6.415
  159    HD3  PRO  28           HD1      PRO  28  -0.525   0.955  -6.632
  160    H    SER  29           HN       SER  29  -4.011   3.607  -5.912
  161    HA   SER  29           HA       SER  29  -6.208   4.201  -7.737
  162    HB2  SER  29           HB2      SER  29  -6.665   2.115  -5.625
  163    HB3  SER  29           HB1      SER  29  -7.591   2.435  -7.091
  164    HG   SER  29           HG       SER  29  -6.405   0.618  -7.486
  165    HA   PRO  30           HA       PRO  30  -7.491   7.042  -4.623
  166    HB2  PRO  30           HB2      PRO  30 -10.223   6.716  -4.625
  167    HB3  PRO  30           HB1      PRO  30  -9.330   7.656  -5.824
  168    HG2  PRO  30           HG2      PRO  30 -10.369   4.859  -5.998
  169    HG3  PRO  30           HG1      PRO  30 -10.370   6.134  -7.230
  170    HD2  PRO  30           HD2      PRO  30  -8.580   4.130  -7.272
  171    HD3  PRO  30           HD1      PRO  30  -8.152   5.775  -7.787
  172    H    LYS  31           HN       LYS  31 -10.327   5.246  -3.855
  173    HA   LYS  31           HA       LYS  31  -9.687   5.039  -1.132
  174    HB2  LYS  31           HB2      LYS  31 -11.850   4.090  -2.899
  175    HB3  LYS  31           HB1      LYS  31 -11.606   3.130  -1.446
  176    HG2  LYS  31           HG2      LYS  31 -13.221   4.719  -0.868
  177    HG3  LYS  31           HG1      LYS  31 -11.717   5.318  -0.162
  178    HD2  LYS  31           HD2      LYS  31 -11.433   6.808  -2.110
  179    HD3  LYS  31           HD1      LYS  31 -12.979   6.241  -2.744
  180    HE2  LYS  31           HE2      LYS  31 -14.187   7.244  -1.006
  181    HE3  LYS  31           HE1      LYS  31 -12.753   7.428   0.003
  182    HZ1  LYS  31           HZ1      LYS  31 -13.095   8.859  -2.569
  183    HZ2  LYS  31           HZ2      LYS  31 -11.966   9.171  -1.349
  184    HZ3  LYS  31           HZ3      LYS  31 -13.605   9.503  -1.089
  185    H    ALA  32           HN       ALA  32 -10.523   2.122  -2.927
  186    HA   ALA  32           HA       ALA  32  -9.595   0.047  -3.041
  187    HB1  ALA  32           HB1      ALA  32  -7.120   1.709  -2.650
  188    HB2  ALA  32           HB2      ALA  32  -7.724   0.951  -4.126
  189    HB3  ALA  32           HB3      ALA  32  -7.056  -0.045  -2.833
  190    H    VAL  33           HN       VAL  33  -9.146  -1.702  -1.719
  191    HA   VAL  33           HA       VAL  33  -9.113  -1.129   1.154
  192    HB   VAL  33           HB       VAL  33  -9.713  -3.722  -0.284
  193   HG11  VAL  33          HG11      VAL  33  -8.782  -4.037   1.971
  194   HG12  VAL  33          HG12      VAL  33 -10.469  -4.543   1.870
  195   HG13  VAL  33          HG13      VAL  33 -10.053  -3.005   2.626
  196   HG21  VAL  33          HG21      VAL  33 -11.794  -2.996  -0.550
  197   HG22  VAL  33          HG22      VAL  33 -11.308  -1.421   0.078
  198   HG23  VAL  33          HG23      VAL  33 -11.923  -2.658   1.175
  199    H    CYS  34           HN       CYS  34  -7.082  -0.931   1.853
  200    HA   CYS  34           HA       CYS  34  -4.825  -2.131   0.714
  201    HB2  CYS  34           HB2      CYS  34  -4.546  -0.141   1.984
  202    HB3  CYS  34           HB1      CYS  34  -5.267  -0.870   3.415
  203    H    CYS  35           HN       CYS  35  -5.375  -4.390   0.514
  204    HA   CYS  35           HA       CYS  35  -5.917  -6.077   2.673
  205    HB2  CYS  35           HB2      CYS  35  -4.345  -6.808   0.193
  206    HB3  CYS  35           HB1      CYS  35  -5.249  -7.902   1.235
  207    H    ASP  36           HN       ASP  36  -4.783  -6.520   4.353
  208    HA   ASP  36           HA       ASP  36  -1.937  -5.933   4.449
  209    HB2  ASP  36           HB2      ASP  36  -3.785  -6.735   6.698
  210    HB3  ASP  36           HB1      ASP  36  -2.158  -6.080   6.855
  211    H    ASP  37           HN       ASP  37  -3.994  -8.742   4.259
  212    HA   ASP  37           HA       ASP  37  -2.693 -10.717   5.580
  213    HB2  ASP  37           HB2      ASP  37  -4.658 -10.893   3.922
  214    HB3  ASP  37           HB1      ASP  37  -3.427 -11.065   2.673
  215    H    MET  38           HN       MET  38  -1.750  -9.218   2.564
  216    HA   MET  38           HA       MET  38   0.967 -10.282   2.907
  217    HB2  MET  38           HB2      MET  38  -0.544  -9.828   0.321
  218    HB3  MET  38           HB1      MET  38   1.171 -10.198   0.411
  219    HG2  MET  38           HG2      MET  38  -0.864 -12.016   1.638
  220    HG3  MET  38           HG1      MET  38  -0.484 -12.096  -0.081
  221    HE1  MET  38           HE1      MET  38  -0.046 -14.783   1.202
  222    HE2  MET  38           HE2      MET  38  -0.084 -14.002   2.783
  223    HE3  MET  38           HE3      MET  38   1.308 -14.980   2.315
  224    H    GLN  39           HN       GLN  39   0.451  -8.195   0.254
  225    HA   GLN  39           HA       GLN  39   0.726  -5.751   1.748
  226    HB2  GLN  39           HB2      GLN  39   3.074  -6.951   1.355
  227    HB3  GLN  39           HB1      GLN  39   2.924  -6.176  -0.218
  228    HG2  GLN  39           HG2      GLN  39   2.640  -4.671   2.363
  229    HG3  GLN  39           HG1      GLN  39   4.190  -4.906   1.558
  230   HE21  GLN  39          HE21      GLN  39   1.490  -2.957   1.813
  231   HE22  GLN  39          HE22      GLN  39   1.724  -1.995   0.397
  232    H    HIS  40           HN       HIS  40  -1.307  -5.350   0.579
  233    HA   HIS  40           HA       HIS  40  -0.940  -3.810  -1.733
  234    HB2  HIS  40           HB2      HIS  40  -1.840  -5.184  -3.509
  235    HB3  HIS  40           HB1      HIS  40  -0.430  -5.984  -2.818
  236    HD1  HIS  40           HD1      HIS  40  -3.867  -6.577  -3.741
  237    HD2  HIS  40           HD2      HIS  40  -1.236  -8.120  -0.919
  238    HE1  HIS  40           HE1      HIS  40  -4.864  -8.770  -3.024
  239    HE2  HIS  40           HE2      HIS  40  -3.208  -9.730  -1.386
  240    H    CYS  41           HN       CYS  41  -2.977  -3.114  -2.755
  241    HA   CYS  41           HA       CYS  41  -5.294  -3.610  -1.016
  242    HB2  CYS  41           HB2      CYS  41  -5.891  -1.313  -1.085
  243    HB3  CYS  41           HB1      CYS  41  -4.172  -1.354  -0.708
  244    H    CYS  42           HN       CYS  42  -7.179  -4.096  -2.022
  245    HA   CYS  42           HA       CYS  42  -7.124  -4.378  -4.902
  246    HB2  CYS  42           HB2      CYS  42  -8.159  -5.974  -3.074
  247    HB3  CYS  42           HB1      CYS  42  -9.560  -4.926  -3.248
  248    HA   PRO  43           HA       PRO  43  -9.006  -0.657  -6.276
  249    HB2  PRO  43           HB2      PRO  43 -11.061  -1.859  -7.805
  250    HB3  PRO  43           HB1      PRO  43  -9.477  -1.328  -8.374
  251    HG2  PRO  43           HG2      PRO  43 -10.379  -4.035  -7.523
  252    HG3  PRO  43           HG1      PRO  43  -9.238  -3.584  -8.805
  253    HD2  PRO  43           HD2      PRO  43  -8.337  -4.578  -6.521
  254    HD3  PRO  43           HD1      PRO  43  -7.504  -3.195  -7.269
  255    H    ALA  44           HN       ALA  44 -10.298   0.664  -5.319
  256    HA   ALA  44           HA       ALA  44 -11.956   0.304  -3.252
  257    HB1  ALA  44           HB1      ALA  44 -13.157   2.362  -3.910
  258    HB2  ALA  44           HB2      ALA  44 -12.393   2.268  -5.498
  259    HB3  ALA  44           HB3      ALA  44 -11.406   2.511  -4.056
  260    H    GLY  45           HN       GLY  45 -13.678  -0.859  -2.866
  261    HA2  GLY  45           HA2      GLY  45 -16.053  -1.200  -3.365
  262    HA3  GLY  45           HA1      GLY  45 -15.606  -1.293  -5.061
  263    H    TYR  46           HN       TYR  46 -13.159  -2.987  -3.840
  264    HA   TYR  46           HA       TYR  46 -14.733  -5.478  -3.746
  265    HB2  TYR  46           HB2      TYR  46 -12.008  -4.957  -4.941
  266    HB3  TYR  46           HB1      TYR  46 -12.642  -6.572  -4.654
  267    HD1  TYR  46           HD1      TYR  46 -14.695  -7.316  -5.880
  268    HD2  TYR  46           HD2      TYR  46 -12.669  -3.700  -6.838
  269    HE1  TYR  46           HE1      TYR  46 -15.828  -7.267  -8.062
  270    HE2  TYR  46           HE2      TYR  46 -13.797  -3.640  -9.021
  271    HH   TYR  46           HH       TYR  46 -15.268  -6.196 -10.404
  272    H    LYS  47           HN       LYS  47 -13.564  -7.273  -2.584
  273    HA   LYS  47           HA       LYS  47 -11.942  -6.229  -0.363
  274    HB2  LYS  47           HB2      LYS  47 -13.165  -7.497   1.244
  275    HB3  LYS  47           HB1      LYS  47 -14.340  -6.595   0.297
  276    HG2  LYS  47           HG2      LYS  47 -15.354  -8.450  -0.385
  277    HG3  LYS  47           HG1      LYS  47 -13.827  -9.217  -0.823
  278    HD2  LYS  47           HD2      LYS  47 -14.434 -10.616   0.863
  279    HD3  LYS  47           HD1      LYS  47 -13.615  -9.386   1.828
  280    HE2  LYS  47           HE2      LYS  47 -16.395  -8.719   1.348
  281    HE3  LYS  47           HE1      LYS  47 -16.222 -10.283   2.144
  282    HZ1  LYS  47           HZ1      LYS  47 -14.569  -8.935   3.632
  283    HZ2  LYS  47           HZ2      LYS  47 -16.233  -8.890   3.932
  284    HZ3  LYS  47           HZ3      LYS  47 -15.488  -7.614   3.109
  285    H    CYS  48           HN       CYS  48 -10.556  -7.753   0.656
  286    HA   CYS  48           HA       CYS  48  -9.506  -9.702  -1.211
  287    HB2  CYS  48           HB2      CYS  48  -8.242  -9.685   1.411
  288    HB3  CYS  48           HB1      CYS  48  -7.545  -9.358  -0.172
  289    H    GLY  49           HN       GLY  49  -9.187 -11.917  -0.754
  290    HA2  GLY  49           HA2      GLY  49 -10.740 -12.993   1.504
  291    HA3  GLY  49           HA1      GLY  49 -11.062 -13.574  -0.123
  292    HA   PRO  50           HA       PRO  50  -7.742 -16.183   2.039
  293    HB2  PRO  50           HB2      PRO  50  -9.558 -18.366   1.220
  294    HB3  PRO  50           HB1      PRO  50  -8.764 -18.089   2.773
  295    HG2  PRO  50           HG2      PRO  50 -11.393 -17.705   2.473
  296    HG3  PRO  50           HG1      PRO  50 -10.417 -16.649   3.512
  297    HD2  PRO  50           HD2      PRO  50 -11.448 -16.157   0.744
  298    HD3  PRO  50           HD1      PRO  50 -11.366 -15.047   2.128
  299    H    GLY  51           HN       GLY  51  -6.136 -16.156   0.571
  300    HA2  GLY  51           HA2      GLY  51  -5.064 -17.596  -1.101
  301    HA3  GLY  51           HA1      GLY  51  -6.597 -17.613  -1.958
  302    H    GLY  52           HN       GLY  52  -5.688 -14.601  -0.588
  303    HA2  GLY  52           HA2      GLY  52  -5.058 -12.608  -1.531
  304    HA3  GLY  52           HA1      GLY  52  -4.016 -13.561  -2.576
  305    H    THR  53           HN       THR  53  -7.551 -13.599  -2.372
  306    HA   THR  53           HA       THR  53  -7.630 -12.842  -5.215
  307    HB   THR  53           HB       THR  53  -9.935 -13.862  -5.178
  308    HG1  THR  53           HG1      THR  53  -9.038 -14.889  -2.672
  309   HG21  THR  53          HG21      THR  53  -8.583 -15.363  -6.193
  310   HG22  THR  53          HG22      THR  53  -8.815 -16.278  -4.705
  311   HG23  THR  53          HG23      THR  53  -7.369 -15.290  -4.916
  312    H    CYS  54           HN       CYS  54 -10.111 -12.023  -5.628
  313    HA   CYS  54           HA       CYS  54 -10.797 -10.012  -3.624
  314    HB2  CYS  54           HB2      CYS  54  -9.883  -9.448  -6.421
  315    HB3  CYS  54           HB1      CYS  54 -11.062  -8.384  -5.659
  316    H    ILE  55           HN       ILE  55 -12.912  -9.858  -3.343
  317    HA   ILE  55           HA       ILE  55 -14.714 -10.696  -5.514
  318    HB   ILE  55           HB       ILE  55 -16.188 -11.551  -3.500
  319   HG12  ILE  55          HG12      ILE  55 -13.469 -12.268  -2.438
  320   HG13  ILE  55          HG11      ILE  55 -14.269 -10.788  -1.920
  321   HG21  ILE  55          HG21      ILE  55 -15.892 -13.464  -4.584
  322   HG22  ILE  55          HG22      ILE  55 -14.266 -13.630  -3.921
  323   HG23  ILE  55          HG23      ILE  55 -14.520 -12.740  -5.423
  324   HD11  ILE  55          HD11      ILE  55 -14.792 -12.376  -0.290
  325   HD12  ILE  55          HD12      ILE  55 -15.127 -13.625  -1.490
  326   HD13  ILE  55          HD13      ILE  55 -16.239 -12.270  -1.294
  327    H    SER  56           HN       SER  56 -17.115 -10.202  -4.643
  328    HA   SER  56           HA       SER  56 -17.264  -7.730  -3.146
  329    HB2  SER  56           HB2      SER  56 -16.898  -6.599  -5.135
  330    HB3  SER  56           HB1      SER  56 -17.655  -7.857  -6.112
  331    HG   SER  56           HG       SER  56 -18.831  -5.767  -5.712
  Start of MODEL   14
    1    H1   ASP   1           HT1      ASP   1   4.586  15.150  -4.897
    2    H2   ASP   1           HT2      ASP   1   6.151  14.793  -4.364
    3    H3   ASP   1           HT3      ASP   1   5.152  15.799  -3.442
    4    HA   ASP   1           HA       ASP   1   4.735  12.912  -3.970
    5    HB2  ASP   1           HB2      ASP   1   4.888  13.179  -1.282
    6    HB3  ASP   1           HB1      ASP   1   6.281  12.835  -2.303
    7    H    VAL   2           HN       VAL   2   3.227  12.284  -1.851
    8    HA   VAL   2           HA       VAL   2   0.785  13.842  -2.300
    9    HB   VAL   2           HB       VAL   2   1.099  10.979  -1.398
   10   HG11  VAL   2          HG11      VAL   2  -1.549  11.396  -2.087
   11   HG12  VAL   2          HG12      VAL   2  -1.131  12.825  -1.143
   12   HG13  VAL   2          HG13      VAL   2  -0.914  11.216  -0.453
   13   HG21  VAL   2          HG21      VAL   2  -0.492  11.275  -3.719
   14   HG22  VAL   2          HG22      VAL   2   1.076  10.483  -3.556
   15   HG23  VAL   2          HG23      VAL   2   0.990  12.198  -3.962
   16    H    GLN   3           HN       GLN   3   1.039  11.649   0.366
   17    HA   GLN   3           HA       GLN   3   1.956  13.064   2.472
   18    HB2  GLN   3           HB2      GLN   3  -0.443  14.321   1.486
   19    HB3  GLN   3           HB1      GLN   3  -0.729  13.690   3.102
   20    HG2  GLN   3           HG2      GLN   3   1.755  14.932   3.252
   21    HG3  GLN   3           HG1      GLN   3   0.765  16.007   2.266
   22   HE21  GLN   3          HE21      GLN   3   0.983  14.357   5.352
   23   HE22  GLN   3          HE22      GLN   3  -0.069  15.424   6.212
   24    H    CYS   4           HN       CYS   4   2.117  10.589   2.335
   25    HA   CYS   4           HA       CYS   4   0.076   8.842   2.859
   26    HB2  CYS   4           HB2      CYS   4   2.889   8.694   3.965
   27    HB3  CYS   4           HB1      CYS   4   1.759   7.350   3.859
   28    H    GLY   5           HN       GLY   5   1.909  10.727   5.236
   29    HA2  GLY   5           HA2      GLY   5   0.750  11.597   7.177
   30    HA3  GLY   5           HA1      GLY   5  -0.236  10.141   7.175
   31    H    GLY   6           HN       GLY   6   3.221  10.945   7.192
   32    HA2  GLY   6           HA2      GLY   6   3.862  10.078   9.724
   33    HA3  GLY   6           HA1      GLY   6   3.930   8.639   8.713
   34    H    GLY   7           HN       GLY   7   5.607   8.375   7.266
   35    HA2  GLY   7           HA2      GLY   7   7.564  10.571   7.123
   36    HA3  GLY   7           HA1      GLY   7   8.084   8.955   7.574
   37    H    PHE   8           HN       PHE   8   5.716   8.325   5.442
   38    HA   PHE   8           HA       PHE   8   7.653   8.039   3.277
   39    HB2  PHE   8           HB2      PHE   8   5.253   6.616   4.132
   40    HB3  PHE   8           HB1      PHE   8   5.318   6.878   2.395
   41    HD1  PHE   8           HD1      PHE   8   7.277   5.532   5.243
   42    HD2  PHE   8           HD2      PHE   8   6.640   5.531   1.036
   43    HE1  PHE   8           HE1      PHE   8   8.832   3.638   5.013
   44    HE2  PHE   8           HE2      PHE   8   8.193   3.637   0.797
   45    HZ   PHE   8           HZ       PHE   8   9.291   2.688   2.788
   46    H    SER   9           HN       SER   9   6.313   7.995   1.053
   47    HA   SER   9           HA       SER   9   4.438  10.077   0.621
   48    HB2  SER   9           HB2      SER   9   7.349  10.673   0.215
   49    HB3  SER   9           HB1      SER   9   6.170  11.363  -0.900
   50    HG   SER   9           HG       SER   9   6.806  12.177   1.558
   51    H    CYS  10           HN       CYS  10   3.794  10.192  -1.627
   52    HA   CYS  10           HA       CYS  10   5.065   8.319  -3.447
   53    HB2  CYS  10           HB2      CYS  10   3.047   7.348  -1.921
   54    HB3  CYS  10           HB1      CYS  10   2.150   7.934  -3.318
   55    H    HIS  11           HN       HIS  11   3.335   8.199  -5.484
   56    HA   HIS  11           HA       HIS  11   3.464  10.892  -6.503
   57    HB2  HIS  11           HB2      HIS  11   2.757   8.255  -7.771
   58    HB3  HIS  11           HB1      HIS  11   2.730   9.782  -8.648
   59    HD1  HIS  11           HD1      HIS  11   5.164  11.120  -8.466
   60    HD2  HIS  11           HD2      HIS  11   5.145   6.999  -7.926
   61    HE1  HIS  11           HE1      HIS  11   7.537  10.381  -8.848
   62    HE2  HIS  11           HE2      HIS  11   7.505   7.884  -8.511
   63    H    ASP  12           HN       ASP  12   1.854  12.007  -7.535
   64    HA   ASP  12           HA       ASP  12  -0.574  12.289  -6.203
   65    HB2  ASP  12           HB2      ASP  12   0.717  13.768  -8.051
   66    HB3  ASP  12           HB1      ASP  12  -0.535  13.063  -9.068
   67    H    GLY  13           HN       GLY  13  -2.656  11.575  -6.573
   68    HA2  GLY  13           HA2      GLY  13  -4.363  10.375  -7.630
   69    HA3  GLY  13           HA1      GLY  13  -3.203   9.830  -8.832
   70    H    GLU  14           HN       GLU  14  -1.624   9.310  -6.091
   71    HA   GLU  14           HA       GLU  14  -2.575   6.526  -5.936
   72    HB2  GLU  14           HB2      GLU  14  -0.439   5.881  -5.653
   73    HB3  GLU  14           HB1      GLU  14  -0.032   7.488  -6.230
   74    HG2  GLU  14           HG2      GLU  14   1.134   7.671  -4.352
   75    HG3  GLU  14           HG1      GLU  14  -0.423   7.915  -3.563
   76    H    THR  15           HN       THR  15  -2.296   5.506  -3.684
   77    HA   THR  15           HA       THR  15  -3.075   7.379  -1.564
   78    HB   THR  15           HB       THR  15  -4.422   4.723  -2.112
   79    HG1  THR  15           HG1      THR  15  -4.923   6.722  -3.442
   80   HG21  THR  15          HG21      THR  15  -4.224   6.315   0.265
   81   HG22  THR  15          HG22      THR  15  -5.069   4.787   0.021
   82   HG23  THR  15          HG23      THR  15  -5.894   6.311  -0.302
   83    H    CYS  16           HN       CYS  16  -2.135   6.964   0.389
   84    HA   CYS  16           HA       CYS  16  -0.165   4.822   0.445
   85    HB2  CYS  16           HB2      CYS  16  -0.646   7.082   2.383
   86    HB3  CYS  16           HB1      CYS  16   0.709   5.955   2.435
   87    H    CYS  17           HN       CYS  17  -0.322   3.029   1.620
   88    HA   CYS  17           HA       CYS  17  -2.562   2.810   3.514
   89    HB2  CYS  17           HB2      CYS  17  -3.183   0.861   2.591
   90    HB3  CYS  17           HB1      CYS  17  -2.172   1.322   1.229
   91    HA   PRO  18           HA       PRO  18   0.747   1.985   6.387
   92    HB2  PRO  18           HB2      PRO  18  -0.680   2.164   8.630
   93    HB3  PRO  18           HB1      PRO  18  -0.398   3.591   7.626
   94    HG2  PRO  18           HG2      PRO  18  -2.842   1.892   7.860
   95    HG3  PRO  18           HG1      PRO  18  -2.710   3.650   7.676
   96    HD2  PRO  18           HD2      PRO  18  -3.226   1.826   5.619
   97    HD3  PRO  18           HD1      PRO  18  -2.686   3.500   5.408
   98    H    THR  19           HN       THR  19   0.288  -0.308   5.155
   99    HA   THR  19           HA       THR  19  -1.052  -2.278   6.724
  100    HB   THR  19           HB       THR  19  -0.723  -2.475   4.264
  101    HG1  THR  19           HG1      THR  19  -0.941  -4.550   4.596
  102   HG21  THR  19          HG21      THR  19   1.376  -3.084   3.326
  103   HG22  THR  19          HG22      THR  19   2.110  -3.270   4.920
  104   HG23  THR  19          HG23      THR  19   1.672  -1.666   4.333
  105    H    SER  20           HN       SER  20   1.592  -0.624   7.510
  106    HA   SER  20           HA       SER  20   2.653  -2.824   9.114
  107    HB2  SER  20           HB2      SER  20   4.322  -1.026   7.342
  108    HB3  SER  20           HB1      SER  20   4.994  -2.037   8.622
  109    HG   SER  20           HG       SER  20   3.400  -3.541   7.114
  110    H    GLN  21           HN       GLN  21   4.505  -1.753  10.584
  111    HA   GLN  21           HA       GLN  21   3.156   0.468  11.929
  112    HB2  GLN  21           HB2      GLN  21   5.476  -0.480  13.343
  113    HB3  GLN  21           HB1      GLN  21   3.789  -0.510  13.835
  114    HG2  GLN  21           HG2      GLN  21   3.455  -2.652  13.029
  115    HG3  GLN  21           HG1      GLN  21   4.842  -2.566  11.942
  116   HE21  GLN  21          HE21      GLN  21   6.981  -2.292  13.094
  117   HE22  GLN  21          HE22      GLN  21   7.228  -3.255  14.507
  118    H    THR  22           HN       THR  22   6.127  -0.358  10.298
  119    HA   THR  22           HA       THR  22   7.000   2.442  10.579
  120    HB   THR  22           HB       THR  22   9.368   1.413  10.214
  121    HG1  THR  22           HG1      THR  22   7.783  -0.805  10.708
  122   HG21  THR  22          HG21      THR  22   8.845   2.584  12.225
  123   HG22  THR  22          HG22      THR  22   9.583   1.052  12.695
  124   HG23  THR  22          HG23      THR  22   7.835   1.261  12.806
  125    H    THR  23           HN       THR  23   5.724   0.363   8.467
  126    HA   THR  23           HA       THR  23   7.235   1.497   6.206
  127    HB   THR  23           HB       THR  23   5.899  -1.021   5.584
  128    HG1  THR  23           HG1      THR  23   6.939  -2.313   6.949
  129   HG21  THR  23          HG21      THR  23   8.754  -1.012   5.256
  130   HG22  THR  23          HG22      THR  23   8.079   0.519   4.696
  131   HG23  THR  23          HG23      THR  23   7.493  -1.003   4.023
  132    H    TRP  24           HN       TRP  24   6.096   2.223   4.470
  133    HA   TRP  24           HA       TRP  24   3.149   2.198   4.693
  134    HB2  TRP  24           HB2      TRP  24   5.091   4.367   4.041
  135    HB3  TRP  24           HB1      TRP  24   3.560   4.367   3.179
  136    HD1  TRP  24           HD1      TRP  24   5.092   5.158   6.536
  137    HE1  TRP  24           HE1      TRP  24   3.302   6.209   8.060
  138    HE3  TRP  24           HE3      TRP  24   0.978   4.280   3.661
  139    HZ2  TRP  24           HZ2      TRP  24   0.507   6.606   8.040
  140    HZ3  TRP  24           HZ3      TRP  24  -1.224   5.019   4.479
  141    HH2  TRP  24           HH2      TRP  24  -1.449   6.163   6.622
  142    H    GLY  25           HN       GLY  25   2.112   1.258   3.028
  143    HA2  GLY  25           HA2      GLY  25   3.658   0.545   0.646
  144    HA3  GLY  25           HA1      GLY  25   2.104  -0.129   1.108
  145    H    CYS  26           HN       CYS  26   3.183   1.194  -1.403
  146    HA   CYS  26           HA       CYS  26   1.385   3.483  -1.621
  147    HB2  CYS  26           HB2      CYS  26   3.671   2.449  -3.247
  148    HB3  CYS  26           HB1      CYS  26   2.476   3.485  -4.020
  149    H    CYS  27           HN       CYS  27  -0.568   3.328  -2.445
  150    HA   CYS  27           HA       CYS  27  -1.257   0.960  -4.055
  151    HB2  CYS  27           HB2      CYS  27  -2.849   2.611  -2.107
  152    HB3  CYS  27           HB1      CYS  27  -3.653   1.615  -3.315
  153    HA   PRO  28           HA       PRO  28  -2.149   3.758  -7.377
  154    HB2  PRO  28           HB2      PRO  28  -3.510   2.139  -9.020
  155    HB3  PRO  28           HB1      PRO  28  -1.794   1.882  -8.680
  156    HG2  PRO  28           HG2      PRO  28  -4.181   0.480  -7.550
  157    HG3  PRO  28           HG1      PRO  28  -2.627  -0.196  -8.066
  158    HD2  PRO  28           HD2      PRO  28  -3.300   0.351  -5.449
  159    HD3  PRO  28           HD1      PRO  28  -1.637   0.253  -6.057
  160    H    SER  29           HN       SER  29  -5.009   1.721  -6.692
  161    HA   SER  29           HA       SER  29  -6.919   3.527  -7.607
  162    HB2  SER  29           HB2      SER  29  -7.212   1.415  -5.459
  163    HB3  SER  29           HB1      SER  29  -8.543   2.198  -6.311
  164    HG   SER  29           HG       SER  29  -8.282   0.752  -7.797
  165    HA   PRO  30           HA       PRO  30  -7.232   6.737  -4.614
  166    HB2  PRO  30           HB2      PRO  30 -10.173   6.557  -4.824
  167    HB3  PRO  30           HB1      PRO  30  -9.099   7.907  -5.202
  168    HG2  PRO  30           HG2      PRO  30 -10.301   6.492  -7.134
  169    HG3  PRO  30           HG1      PRO  30  -8.658   7.131  -7.333
  170    HD2  PRO  30           HD2      PRO  30  -9.547   4.346  -6.696
  171    HD3  PRO  30           HD1      PRO  30  -8.240   4.896  -7.766
  172    H    LYS  31           HN       LYS  31 -10.401   5.611  -3.774
  173    HA   LYS  31           HA       LYS  31  -9.613   5.295  -1.029
  174    HB2  LYS  31           HB2      LYS  31 -12.208   5.203  -2.518
  175    HB3  LYS  31           HB1      LYS  31 -12.128   4.587  -0.873
  176    HG2  LYS  31           HG2      LYS  31 -10.994   6.907  -0.400
  177    HG3  LYS  31           HG1      LYS  31 -11.848   7.372  -1.873
  178    HD2  LYS  31           HD2      LYS  31 -13.959   6.733  -0.915
  179    HD3  LYS  31           HD1      LYS  31 -13.157   6.065   0.508
  180    HE2  LYS  31           HE2      LYS  31 -12.472   8.223   1.235
  181    HE3  LYS  31           HE1      LYS  31 -12.951   8.958  -0.295
  182    HZ1  LYS  31           HZ1      LYS  31 -14.822   7.706   1.643
  183    HZ2  LYS  31           HZ2      LYS  31 -15.246   8.512   0.217
  184    HZ3  LYS  31           HZ3      LYS  31 -14.550   9.370   1.498
  185    H    ALA  32           HN       ALA  32  -8.387   3.389  -2.758
  186    HA   ALA  32           HA       ALA  32  -9.634   0.875  -2.762
  187    HB1  ALA  32           HB1      ALA  32  -6.689   1.000  -2.467
  188    HB2  ALA  32           HB2      ALA  32  -7.403   1.800  -3.868
  189    HB3  ALA  32           HB3      ALA  32  -7.681   0.080  -3.599
  190    H    VAL  33           HN       VAL  33  -8.988  -1.022  -1.480
  191    HA   VAL  33           HA       VAL  33  -8.609  -0.316   1.349
  192    HB   VAL  33           HB       VAL  33  -9.581  -3.010   0.488
  193   HG11  VAL  33          HG11      VAL  33  -9.668  -1.299   2.909
  194   HG12  VAL  33          HG12      VAL  33  -9.380  -3.032   2.754
  195   HG13  VAL  33          HG13      VAL  33 -11.021  -2.396   2.634
  196   HG21  VAL  33          HG21      VAL  33 -10.973  -0.497  -0.011
  197   HG22  VAL  33          HG22      VAL  33 -11.909  -1.630   0.966
  198   HG23  VAL  33          HG23      VAL  33 -11.308  -2.120  -0.618
  199    H    CYS  34           HN       CYS  34  -6.545  -0.584   1.949
  200    HA   CYS  34           HA       CYS  34  -4.708  -2.215   0.553
  201    HB2  CYS  34           HB2      CYS  34  -3.928  -0.277   1.734
  202    HB3  CYS  34           HB1      CYS  34  -4.543  -0.890   3.265
  203    H    CYS  35           HN       CYS  35  -4.910  -4.358   0.495
  204    HA   CYS  35           HA       CYS  35  -6.154  -5.985   2.380
  205    HB2  CYS  35           HB2      CYS  35  -3.946  -6.656   0.423
  206    HB3  CYS  35           HB1      CYS  35  -4.853  -7.857   1.335
  207    H    ASP  36           HN       ASP  36  -5.653  -6.075   4.437
  208    HA   ASP  36           HA       ASP  36  -2.886  -5.795   5.307
  209    HB2  ASP  36           HB2      ASP  36  -5.450  -5.102   6.398
  210    HB3  ASP  36           HB1      ASP  36  -4.574  -6.113   7.544
  211    H    ASP  37           HN       ASP  37  -5.110  -8.326   4.716
  212    HA   ASP  37           HA       ASP  37  -4.569 -10.143   6.731
  213    HB2  ASP  37           HB2      ASP  37  -5.792 -10.196   4.174
  214    HB3  ASP  37           HB1      ASP  37  -4.628 -11.517   4.208
  215    H    MET  38           HN       MET  38  -2.744  -9.379   3.824
  216    HA   MET  38           HA       MET  38  -0.403 -10.699   5.001
  217    HB2  MET  38           HB2      MET  38  -0.904 -10.797   2.038
  218    HB3  MET  38           HB1      MET  38   0.200 -11.771   2.999
  219    HG2  MET  38           HG2      MET  38  -1.375 -13.276   3.529
  220    HG3  MET  38           HG1      MET  38  -2.637 -12.055   3.692
  221    HE1  MET  38           HE1      MET  38  -4.629 -12.681   2.472
  222    HE2  MET  38           HE2      MET  38  -4.719 -12.548   0.716
  223    HE3  MET  38           HE3      MET  38  -4.145 -11.183   1.675
  224    H    GLN  39           HN       GLN  39  -0.492  -9.319   1.783
  225    HA   GLN  39           HA       GLN  39   0.377  -6.718   2.618
  226    HB2  GLN  39           HB2      GLN  39   2.364  -8.661   2.298
  227    HB3  GLN  39           HB1      GLN  39   2.396  -7.741   0.800
  228    HG2  GLN  39           HG2      GLN  39   3.475  -6.086   1.788
  229    HG3  GLN  39           HG1      GLN  39   2.215  -5.945   3.014
  230   HE21  GLN  39          HE21      GLN  39   3.205  -5.841   4.902
  231   HE22  GLN  39          HE22      GLN  39   4.439  -6.915   5.459
  232    H    HIS  40           HN       HIS  40  -1.588  -6.264   1.348
  233    HA   HIS  40           HA       HIS  40  -0.905  -5.926  -1.458
  234    HB2  HIS  40           HB2      HIS  40  -2.079  -8.282  -0.848
  235    HB3  HIS  40           HB1      HIS  40  -3.502  -7.293  -1.154
  236    HD1  HIS  40           HD1      HIS  40  -4.234  -7.322  -3.504
  237    HD2  HIS  40           HD2      HIS  40  -0.149  -8.000  -3.165
  238    HE1  HIS  40           HE1      HIS  40  -3.424  -7.727  -5.850
  239    HE2  HIS  40           HE2      HIS  40  -0.949  -8.141  -5.621
  240    H    CYS  41           HN       CYS  41  -3.136  -5.303  -2.651
  241    HA   CYS  41           HA       CYS  41  -4.644  -3.397  -1.033
  242    HB2  CYS  41           HB2      CYS  41  -2.530  -2.431  -2.346
  243    HB3  CYS  41           HB1      CYS  41  -3.670  -2.445  -3.688
  244    H    CYS  42           HN       CYS  42  -6.704  -2.957  -1.855
  245    HA   CYS  42           HA       CYS  42  -7.486  -4.510  -4.232
  246    HB2  CYS  42           HB2      CYS  42  -8.521  -4.607  -1.499
  247    HB3  CYS  42           HB1      CYS  42  -9.783  -4.348  -2.699
  248    HA   PRO  43           HA       PRO  43  -8.657  -0.545  -5.902
  249    HB2  PRO  43           HB2      PRO  43 -10.595  -2.336  -7.320
  250    HB3  PRO  43           HB1      PRO  43  -9.582  -1.037  -7.968
  251    HG2  PRO  43           HG2      PRO  43  -8.837  -3.540  -8.320
  252    HG3  PRO  43           HG1      PRO  43  -7.636  -2.322  -7.843
  253    HD2  PRO  43           HD2      PRO  43  -8.951  -4.435  -6.185
  254    HD3  PRO  43           HD1      PRO  43  -7.276  -3.846  -6.142
  255    H    ALA  44           HN       ALA  44  -9.945   0.910  -5.075
  256    HA   ALA  44           HA       ALA  44 -11.782   0.658  -3.123
  257    HB1  ALA  44           HB1      ALA  44 -11.803   2.669  -5.367
  258    HB2  ALA  44           HB2      ALA  44 -11.018   2.823  -3.795
  259    HB3  ALA  44           HB3      ALA  44 -12.778   2.807  -3.903
  260    H    GLY  45           HN       GLY  45 -13.489  -0.620  -2.977
  261    HA2  GLY  45           HA2      GLY  45 -15.866  -0.759  -3.616
  262    HA3  GLY  45           HA1      GLY  45 -15.325  -0.743  -5.287
  263    H    TYR  46           HN       TYR  46 -13.072  -2.587  -3.777
  264    HA   TYR  46           HA       TYR  46 -14.646  -5.046  -4.178
  265    HB2  TYR  46           HB2      TYR  46 -11.800  -4.409  -4.936
  266    HB3  TYR  46           HB1      TYR  46 -12.358  -6.068  -4.761
  267    HD1  TYR  46           HD1      TYR  46 -11.242  -4.798  -7.284
  268    HD2  TYR  46           HD2      TYR  46 -15.229  -5.263  -5.871
  269    HE1  TYR  46           HE1      TYR  46 -12.062  -4.765  -9.601
  270    HE2  TYR  46           HE2      TYR  46 -16.058  -5.232  -8.184
  271    HH   TYR  46           HH       TYR  46 -15.390  -4.479 -10.371
  272    H    LYS  47           HN       LYS  47 -13.667  -6.967  -3.030
  273    HA   LYS  47           HA       LYS  47 -12.629  -6.140  -0.396
  274    HB2  LYS  47           HB2      LYS  47 -14.967  -6.931  -0.299
  275    HB3  LYS  47           HB1      LYS  47 -14.473  -8.456  -1.021
  276    HG2  LYS  47           HG2      LYS  47 -12.881  -7.879   1.303
  277    HG3  LYS  47           HG1      LYS  47 -14.601  -7.823   1.690
  278    HD2  LYS  47           HD2      LYS  47 -13.440 -10.088   0.106
  279    HD3  LYS  47           HD1      LYS  47 -13.372 -10.081   1.869
  280    HE2  LYS  47           HE2      LYS  47 -15.757 -10.208   0.066
  281    HE3  LYS  47           HE1      LYS  47 -15.325 -11.257   1.415
  282    HZ1  LYS  47           HZ1      LYS  47 -16.967 -10.001   2.350
  283    HZ2  LYS  47           HZ2      LYS  47 -16.602  -8.616   1.449
  284    HZ3  LYS  47           HZ3      LYS  47 -15.627  -9.052   2.760
  285    H    CYS  48           HN       CYS  48 -11.094  -7.496   0.609
  286    HA   CYS  48           HA       CYS  48  -9.545  -9.090  -1.273
  287    HB2  CYS  48           HB2      CYS  48  -8.746  -7.305   0.584
  288    HB3  CYS  48           HB1      CYS  48  -8.636  -8.783   1.533
  289    H    GLY  49           HN       GLY  49  -9.691 -11.235  -1.361
  290    HA2  GLY  49           HA2      GLY  49 -11.240 -12.650   0.643
  291    HA3  GLY  49           HA1      GLY  49 -10.614 -13.317  -0.857
  292    HA   PRO  50           HA       PRO  50  -7.990 -14.611   2.878
  293    HB2  PRO  50           HB2      PRO  50  -9.009 -17.315   2.480
  294    HB3  PRO  50           HB1      PRO  50  -9.017 -16.326   3.942
  295    HG2  PRO  50           HG2      PRO  50 -11.274 -16.940   2.573
  296    HG3  PRO  50           HG1      PRO  50 -11.081 -15.434   3.489
  297    HD2  PRO  50           HD2      PRO  50 -10.850 -15.906   0.541
  298    HD3  PRO  50           HD1      PRO  50 -11.595 -14.548   1.411
  299    H    GLY  51           HN       GLY  51  -8.177 -15.009  -0.356
  300    HA2  GLY  51           HA2      GLY  51  -6.045 -17.025  -0.514
  301    HA3  GLY  51           HA1      GLY  51  -7.027 -16.468  -1.859
  302    H    GLY  52           HN       GLY  52  -6.738 -13.658  -1.327
  303    HA2  GLY  52           HA2      GLY  52  -4.771 -12.160  -1.032
  304    HA3  GLY  52           HA1      GLY  52  -3.876 -13.333  -1.986
  305    H    THR  53           HN       THR  53  -7.147 -12.654  -2.857
  306    HA   THR  53           HA       THR  53  -6.246 -10.864  -5.010
  307    HB   THR  53           HB       THR  53  -6.996 -12.168  -6.672
  308    HG1  THR  53           HG1      THR  53  -9.151 -13.313  -5.277
  309   HG21  THR  53          HG21      THR  53  -7.580 -14.515  -4.985
  310   HG22  THR  53          HG22      THR  53  -5.986 -13.795  -4.762
  311   HG23  THR  53          HG23      THR  53  -6.488 -14.349  -6.360
  312    H    CYS  54           HN       CYS  54  -8.140  -9.757  -6.086
  313    HA   CYS  54           HA       CYS  54  -9.953  -8.822  -3.992
  314    HB2  CYS  54           HB2      CYS  54  -9.259  -7.676  -6.703
  315    HB3  CYS  54           HB1      CYS  54 -10.433  -6.963  -5.602
  316    H    ILE  55           HN       ILE  55 -11.971  -9.510  -3.902
  317    HA   ILE  55           HA       ILE  55 -13.292 -10.393  -6.380
  318    HB   ILE  55           HB       ILE  55 -14.522 -12.080  -4.967
  319   HG12  ILE  55          HG12      ILE  55 -12.286 -12.103  -3.026
  320   HG13  ILE  55          HG11      ILE  55 -13.446 -10.793  -2.843
  321   HG21  ILE  55          HG21      ILE  55 -13.103 -13.611  -5.755
  322   HG22  ILE  55          HG22      ILE  55 -11.780 -13.021  -4.748
  323   HG23  ILE  55          HG23      ILE  55 -12.120 -12.252  -6.299
  324   HD11  ILE  55          HD11      ILE  55 -14.370 -12.376  -1.490
  325   HD12  ILE  55          HD12      ILE  55 -13.815 -13.718  -2.492
  326   HD13  ILE  55          HD13      ILE  55 -15.191 -12.741  -3.008
  327    H    SER  56           HN       SER  56 -15.718 -10.508  -6.094
  328    HA   SER  56           HA       SER  56 -16.880  -8.811  -4.077
  329    HB2  SER  56           HB2      SER  56 -17.909  -7.289  -5.866
  330    HB3  SER  56           HB1      SER  56 -16.210  -7.022  -5.475
  331    HG   SER  56           HG       SER  56 -17.318  -8.304  -7.736
  Start of MODEL   15
    1    H1   ASP   1           HT1      ASP   1   2.811  16.552  -3.833
    2    H2   ASP   1           HT2      ASP   1   4.480  16.329  -3.994
    3    H3   ASP   1           HT3      ASP   1   3.813  16.649  -2.473
    4    HA   ASP   1           HA       ASP   1   3.364  14.214  -4.101
    5    HB2  ASP   1           HB2      ASP   1   4.548  13.170  -2.089
    6    HB3  ASP   1           HB1      ASP   1   5.548  14.120  -3.186
    7    H    VAL   2           HN       VAL   2   2.812  12.516  -2.059
    8    HA   VAL   2           HA       VAL   2   0.374  13.651  -0.849
    9    HB   VAL   2           HB       VAL   2   0.624  10.728  -1.467
   10   HG11  VAL   2          HG11      VAL   2  -1.703  12.631  -1.223
   11   HG12  VAL   2          HG12      VAL   2  -1.203  11.417  -0.044
   12   HG13  VAL   2          HG13      VAL   2  -1.834  10.917  -1.614
   13   HG21  VAL   2          HG21      VAL   2   1.134  11.919  -3.561
   14   HG22  VAL   2          HG22      VAL   2  -0.380  12.812  -3.405
   15   HG23  VAL   2          HG23      VAL   2  -0.407  11.065  -3.637
   16    H    GLN   3           HN       GLN   3   0.658  13.866   1.269
   17    HA   GLN   3           HA       GLN   3   2.634  12.553   2.777
   18    HB2  GLN   3           HB2      GLN   3   0.111  13.890   3.770
   19    HB3  GLN   3           HB1      GLN   3   1.537  13.529   4.732
   20    HG2  GLN   3           HG2      GLN   3   2.844  15.114   3.541
   21    HG3  GLN   3           HG1      GLN   3   1.579  15.340   2.334
   22   HE21  GLN   3          HE21      GLN   3   2.883  17.318   4.002
   23   HE22  GLN   3          HE22      GLN   3   1.635  18.083   4.921
   24    H    CYS   4           HN       CYS   4   2.537  10.349   2.639
   25    HA   CYS   4           HA       CYS   4   0.353   8.687   2.708
   26    HB2  CYS   4           HB2      CYS   4   3.200   8.358   3.569
   27    HB3  CYS   4           HB1      CYS   4   2.049   7.068   3.898
   28    H    GLY   5           HN       GLY   5   2.015  10.186   5.421
   29    HA2  GLY   5           HA2      GLY   5   0.144  10.553   7.221
   30    HA3  GLY   5           HA1      GLY   5   0.257   8.801   7.312
   31    H    GLY   6           HN       GLY   6   2.364   7.868   7.891
   32    HA2  GLY   6           HA2      GLY   6   3.456   9.109  10.168
   33    HA3  GLY   6           HA1      GLY   6   4.136   7.718   9.332
   34    H    GLY   7           HN       GLY   7   5.222   8.336   7.156
   35    HA2  GLY   7           HA2      GLY   7   6.335  10.980   7.013
   36    HA3  GLY   7           HA1      GLY   7   7.481   9.804   7.631
   37    H    PHE   8           HN       PHE   8   5.287   8.426   5.400
   38    HA   PHE   8           HA       PHE   8   7.427   8.391   3.400
   39    HB2  PHE   8           HB2      PHE   8   5.045   6.657   3.937
   40    HB3  PHE   8           HB1      PHE   8   5.780   6.658   2.338
   41    HD1  PHE   8           HD1      PHE   8   7.289   4.989   1.940
   42    HD2  PHE   8           HD2      PHE   8   6.916   6.512   5.896
   43    HE1  PHE   8           HE1      PHE   8   8.974   3.372   2.717
   44    HE2  PHE   8           HE2      PHE   8   8.602   4.901   6.680
   45    HZ   PHE   8           HZ       PHE   8   9.632   3.328   5.090
   46    H    SER   9           HN       SER   9   6.399   8.140   1.053
   47    HA   SER   9           HA       SER   9   4.144   9.835   0.535
   48    HB2  SER   9           HB2      SER   9   5.178  11.702  -0.397
   49    HB3  SER   9           HB1      SER   9   6.211  11.364   0.991
   50    HG   SER   9           HG       SER   9   7.358  11.731  -1.004
   51    H    CYS  10           HN       CYS  10   3.619   9.964  -1.741
   52    HA   CYS  10           HA       CYS  10   5.082   8.211  -3.537
   53    HB2  CYS  10           HB2      CYS  10   2.657   7.407  -2.191
   54    HB3  CYS  10           HB1      CYS  10   2.425   7.435  -3.935
   55    H    HIS  11           HN       HIS  11   3.372   8.056  -5.646
   56    HA   HIS  11           HA       HIS  11   3.409  10.784  -6.577
   57    HB2  HIS  11           HB2      HIS  11   2.715   8.199  -7.968
   58    HB3  HIS  11           HB1      HIS  11   2.786   9.768  -8.765
   59    HD1  HIS  11           HD1      HIS  11   5.022  10.500  -9.600
   60    HD2  HIS  11           HD2      HIS  11   5.296   7.344  -6.913
   61    HE1  HIS  11           HE1      HIS  11   7.437   9.801  -9.630
   62    HE2  HIS  11           HE2      HIS  11   7.594   7.940  -7.940
   63    H    ASP  12           HN       ASP  12   1.750  11.893  -7.537
   64    HA   ASP  12           HA       ASP  12  -0.661  12.056  -6.191
   65    HB2  ASP  12           HB2      ASP  12  -1.427  13.519  -7.958
   66    HB3  ASP  12           HB1      ASP  12   0.284  13.824  -7.675
   67    H    GLY  13           HN       GLY  13  -2.664  11.172  -6.406
   68    HA2  GLY  13           HA2      GLY  13  -4.389   9.970  -7.458
   69    HA3  GLY  13           HA1      GLY  13  -3.252   9.466  -8.699
   70    H    GLU  14           HN       GLU  14  -1.600   8.947  -5.971
   71    HA   GLU  14           HA       GLU  14  -2.291   6.107  -5.970
   72    HB2  GLU  14           HB2      GLU  14  -0.233   5.719  -4.906
   73    HB3  GLU  14           HB1      GLU  14   0.096   7.023  -6.040
   74    HG2  GLU  14           HG2      GLU  14   1.134   7.837  -4.192
   75    HG3  GLU  14           HG1      GLU  14  -0.469   8.531  -3.969
   76    H    THR  15           HN       THR  15  -2.063   5.022  -3.728
   77    HA   THR  15           HA       THR  15  -3.463   6.559  -1.657
   78    HB   THR  15           HB       THR  15  -4.105   3.739  -2.564
   79    HG1  THR  15           HG1      THR  15  -5.789   6.030  -2.361
   80   HG21  THR  15          HG21      THR  15  -5.088   3.295  -0.602
   81   HG22  THR  15          HG22      THR  15  -5.813   4.900  -0.505
   82   HG23  THR  15          HG23      THR  15  -4.154   4.646   0.039
   83    H    CYS  16           HN       CYS  16  -2.465   6.400   0.288
   84    HA   CYS  16           HA       CYS  16  -0.191   4.594   0.494
   85    HB2  CYS  16           HB2      CYS  16  -1.137   6.844   2.274
   86    HB3  CYS  16           HB1      CYS  16   0.300   5.872   2.583
   87    H    CYS  17           HN       CYS  17  -0.216   2.734   1.563
   88    HA   CYS  17           HA       CYS  17  -2.354   2.297   3.546
   89    HB2  CYS  17           HB2      CYS  17  -3.143   0.659   2.248
   90    HB3  CYS  17           HB1      CYS  17  -1.822   0.867   1.110
   91    HA   PRO  18           HA       PRO  18   1.199   1.278   6.069
   92    HB2  PRO  18           HB2      PRO  18  -0.031   1.212   8.426
   93    HB3  PRO  18           HB1      PRO  18   0.124   2.737   7.542
   94    HG2  PRO  18           HG2      PRO  18  -2.238   0.911   7.761
   95    HG3  PRO  18           HG1      PRO  18  -2.181   2.681   7.839
   96    HD2  PRO  18           HD2      PRO  18  -2.843   1.219   5.582
   97    HD3  PRO  18           HD1      PRO  18  -2.252   2.892   5.568
   98    H    THR  19           HN       THR  19   1.750  -0.804   5.397
   99    HA   THR  19           HA       THR  19   0.095  -3.050   6.211
  100    HB   THR  19           HB       THR  19   1.126  -4.287   4.617
  101    HG1  THR  19           HG1      THR  19   3.523  -3.403   4.141
  102   HG21  THR  19          HG21      THR  19   2.346  -1.866   3.420
  103   HG22  THR  19          HG22      THR  19   0.614  -1.807   3.752
  104   HG23  THR  19          HG23      THR  19   1.270  -3.064   2.702
  105    H    SER  20           HN       SER  20   2.331  -1.263   7.797
  106    HA   SER  20           HA       SER  20   2.953  -3.469   9.576
  107    HB2  SER  20           HB2      SER  20   4.805  -3.139   7.741
  108    HB3  SER  20           HB1      SER  20   5.271  -1.762   8.742
  109    HG   SER  20           HG       SER  20   5.190  -4.500   9.445
  110    H    GLN  21           HN       GLN  21   4.943  -2.063  11.050
  111    HA   GLN  21           HA       GLN  21   3.316  -0.516  12.749
  112    HB2  GLN  21           HB2      GLN  21   6.077   0.192  13.105
  113    HB3  GLN  21           HB1      GLN  21   5.037  -0.757  14.155
  114    HG2  GLN  21           HG2      GLN  21   5.809  -2.748  13.360
  115    HG3  GLN  21           HG1      GLN  21   6.200  -2.090  11.771
  116   HE21  GLN  21          HE21      GLN  21   7.156  -1.652  15.163
  117   HE22  GLN  21          HE22      GLN  21   8.852  -1.554  14.850
  118    H    THR  22           HN       THR  22   5.654   0.370  10.252
  119    HA   THR  22           HA       THR  22   4.464   3.046  10.183
  120    HB   THR  22           HB       THR  22   6.410   3.532  11.417
  121    HG1  THR  22           HG1      THR  22   6.094   4.564   9.138
  122   HG21  THR  22          HG21      THR  22   8.494   2.552  11.191
  123   HG22  THR  22          HG22      THR  22   8.226   2.129   9.499
  124   HG23  THR  22          HG23      THR  22   7.423   1.214  10.775
  125    H    THR  23           HN       THR  23   6.636   0.731   8.611
  126    HA   THR  23           HA       THR  23   7.132   1.645   6.171
  127    HB   THR  23           HB       THR  23   5.890  -1.080   6.584
  128    HG1  THR  23           HG1      THR  23   7.611  -1.318   7.806
  129   HG21  THR  23          HG21      THR  23   7.957  -0.284   4.546
  130   HG22  THR  23          HG22      THR  23   6.227  -0.206   4.210
  131   HG23  THR  23          HG23      THR  23   6.980  -1.751   4.603
  132    H    TRP  24           HN       TRP  24   6.080   2.616   4.582
  133    HA   TRP  24           HA       TRP  24   3.168   2.268   4.400
  134    HB2  TRP  24           HB2      TRP  24   5.004   4.549   3.761
  135    HB3  TRP  24           HB1      TRP  24   3.431   4.441   2.976
  136    HD1  TRP  24           HD1      TRP  24   5.058   5.431   6.223
  137    HE1  TRP  24           HE1      TRP  24   3.254   6.233   7.876
  138    HE3  TRP  24           HE3      TRP  24   0.914   3.996   3.635
  139    HZ2  TRP  24           HZ2      TRP  24   0.432   6.251   8.050
  140    HZ3  TRP  24           HZ3      TRP  24  -1.303   4.432   4.603
  141    HH2  TRP  24           HH2      TRP  24  -1.535   5.536   6.763
  142    H    GLY  25           HN       GLY  25   2.215   1.548   2.579
  143    HA2  GLY  25           HA2      GLY  25   3.997   0.850   0.336
  144    HA3  GLY  25           HA1      GLY  25   2.555  -0.048   0.780
  145    H    CYS  26           HN       CYS  26   3.385   1.213  -1.765
  146    HA   CYS  26           HA       CYS  26   1.460   3.359  -2.149
  147    HB2  CYS  26           HB2      CYS  26   3.916   2.912  -3.224
  148    HB3  CYS  26           HB1      CYS  26   2.884   2.253  -4.489
  149    H    CYS  27           HN       CYS  27  -0.579   2.808  -2.449
  150    HA   CYS  27           HA       CYS  27  -1.211   0.405  -4.027
  151    HB2  CYS  27           HB2      CYS  27  -2.866   1.829  -1.935
  152    HB3  CYS  27           HB1      CYS  27  -3.367   0.395  -2.826
  153    HA   PRO  28           HA       PRO  28  -3.247   3.063  -6.945
  154    HB2  PRO  28           HB2      PRO  28  -4.644   1.268  -8.339
  155    HB3  PRO  28           HB1      PRO  28  -2.876   1.250  -8.346
  156    HG2  PRO  28           HG2      PRO  28  -4.785  -0.499  -6.860
  157    HG3  PRO  28           HG1      PRO  28  -3.248  -0.918  -7.633
  158    HD2  PRO  28           HD2      PRO  28  -3.615  -0.432  -4.913
  159    HD3  PRO  28           HD1      PRO  28  -2.059  -0.410  -5.763
  160    H    SER  29           HN       SER  29  -5.690   2.881  -8.067
  161    HA   SER  29           HA       SER  29  -7.894   3.371  -7.826
  162    HB2  SER  29           HB2      SER  29  -7.389   1.312  -5.838
  163    HB3  SER  29           HB1      SER  29  -8.684   2.400  -5.336
  164    HG   SER  29           HG       SER  29  -8.585   0.602  -7.444
  165    HA   PRO  30           HA       PRO  30  -8.198   7.189  -5.662
  166    HB2  PRO  30           HB2      PRO  30 -11.030   6.537  -5.073
  167    HB3  PRO  30           HB1      PRO  30 -10.348   7.920  -5.934
  168    HG2  PRO  30           HG2      PRO  30 -11.605   5.972  -7.252
  169    HG3  PRO  30           HG1      PRO  30 -10.167   6.758  -7.930
  170    HD2  PRO  30           HD2      PRO  30 -10.422   4.089  -6.602
  171    HD3  PRO  30           HD1      PRO  30  -9.448   4.561  -8.012
  172    H    LYS  31           HN       LYS  31 -10.335   4.854  -3.987
  173    HA   LYS  31           HA       LYS  31  -9.388   5.873  -1.418
  174    HB2  LYS  31           HB2      LYS  31 -11.624   3.968  -2.135
  175    HB3  LYS  31           HB1      LYS  31 -11.191   4.396  -0.485
  176    HG2  LYS  31           HG2      LYS  31 -12.388   6.256  -0.586
  177    HG3  LYS  31           HG1      LYS  31 -11.569   6.767  -2.064
  178    HD2  LYS  31           HD2      LYS  31 -13.540   4.605  -2.394
  179    HD3  LYS  31           HD1      LYS  31 -14.206   6.165  -1.909
  180    HE2  LYS  31           HE2      LYS  31 -13.410   7.233  -3.829
  181    HE3  LYS  31           HE1      LYS  31 -12.258   5.945  -4.177
  182    HZ1  LYS  31           HZ1      LYS  31 -14.771   6.243  -5.247
  183    HZ2  LYS  31           HZ2      LYS  31 -14.925   4.961  -4.154
  184    HZ3  LYS  31           HZ3      LYS  31 -13.767   4.887  -5.385
  185    H    ALA  32           HN       ALA  32 -10.138   2.641  -2.680
  186    HA   ALA  32           HA       ALA  32  -9.094   0.639  -2.535
  187    HB1  ALA  32           HB1      ALA  32  -6.670   0.585  -2.564
  188    HB2  ALA  32           HB2      ALA  32  -6.611   2.283  -2.088
  189    HB3  ALA  32           HB3      ALA  32  -7.277   1.829  -3.656
  190    H    VAL  33           HN       VAL  33  -9.106  -0.841  -1.000
  191    HA   VAL  33           HA       VAL  33  -8.717  -0.008   1.783
  192    HB   VAL  33           HB       VAL  33  -9.661  -2.735   0.947
  193   HG11  VAL  33          HG11      VAL  33 -10.960  -1.512   3.211
  194   HG12  VAL  33          HG12      VAL  33  -9.205  -1.475   3.394
  195   HG13  VAL  33          HG13      VAL  33 -10.033  -3.009   3.121
  196   HG21  VAL  33          HG21      VAL  33 -11.807  -0.864   1.550
  197   HG22  VAL  33          HG22      VAL  33 -11.669  -2.049   0.251
  198   HG23  VAL  33          HG23      VAL  33 -10.937  -0.455   0.071
  199    H    CYS  34           HN       CYS  34  -6.841  -0.464   2.780
  200    HA   CYS  34           HA       CYS  34  -4.817  -1.953   1.434
  201    HB2  CYS  34           HB2      CYS  34  -4.138  -0.085   2.740
  202    HB3  CYS  34           HB1      CYS  34  -4.943  -0.703   4.174
  203    H    CYS  35           HN       CYS  35  -5.040  -4.082   1.246
  204    HA   CYS  35           HA       CYS  35  -6.300  -5.813   3.060
  205    HB2  CYS  35           HB2      CYS  35  -5.546  -6.208   0.589
  206    HB3  CYS  35           HB1      CYS  35  -4.026  -6.718   1.315
  207    H    ASP  36           HN       ASP  36  -5.725  -6.142   5.064
  208    HA   ASP  36           HA       ASP  36  -2.929  -5.850   5.865
  209    HB2  ASP  36           HB2      ASP  36  -5.543  -5.668   7.297
  210    HB3  ASP  36           HB1      ASP  36  -4.091  -6.058   8.216
  211    H    ASP  37           HN       ASP  37  -5.148  -8.362   5.196
  212    HA   ASP  37           HA       ASP  37  -4.527 -10.278   7.106
  213    HB2  ASP  37           HB2      ASP  37  -6.105 -10.284   4.938
  214    HB3  ASP  37           HB1      ASP  37  -4.736 -11.171   4.274
  215    H    MET  38           HN       MET  38  -2.831  -9.322   4.187
  216    HA   MET  38           HA       MET  38  -0.440 -10.714   5.166
  217    HB2  MET  38           HB2      MET  38  -1.745 -10.910   2.490
  218    HB3  MET  38           HB1      MET  38   0.013 -10.910   2.547
  219    HG2  MET  38           HG2      MET  38  -1.023 -12.719   4.511
  220    HG3  MET  38           HG1      MET  38  -1.729 -13.071   2.935
  221    HE1  MET  38           HE1      MET  38   1.389 -13.151   0.720
  222    HE2  MET  38           HE2      MET  38  -0.318 -12.743   0.882
  223    HE3  MET  38           HE3      MET  38   0.184 -14.433   0.833
  224    H    GLN  39           HN       GLN  39  -0.550  -9.070   2.096
  225    HA   GLN  39           HA       GLN  39   0.250  -6.524   3.144
  226    HB2  GLN  39           HB2      GLN  39   2.411  -6.617   1.706
  227    HB3  GLN  39           HB1      GLN  39   2.427  -7.350   3.305
  228    HG2  GLN  39           HG2      GLN  39   1.591  -9.366   1.557
  229    HG3  GLN  39           HG1      GLN  39   2.922  -8.543   0.745
  230   HE21  GLN  39          HE21      GLN  39   4.943  -8.381   1.861
  231   HE22  GLN  39          HE22      GLN  39   5.382  -9.568   3.039
  232    H    HIS  40           HN       HIS  40  -1.709  -6.004   1.904
  233    HA   HIS  40           HA       HIS  40  -1.035  -5.343  -0.829
  234    HB2  HIS  40           HB2      HIS  40  -2.291  -7.842  -0.324
  235    HB3  HIS  40           HB1      HIS  40  -3.458  -6.803  -1.134
  236    HD1  HIS  40           HD1      HIS  40  -2.131  -9.320  -2.459
  237    HD2  HIS  40           HD2      HIS  40  -0.903  -5.385  -2.991
  238    HE1  HIS  40           HE1      HIS  40  -0.906  -9.288  -4.656
  239    HE2  HIS  40           HE2      HIS  40  -0.219  -6.886  -4.983
  240    H    CYS  41           HN       CYS  41  -3.336  -4.882  -2.010
  241    HA   CYS  41           HA       CYS  41  -5.144  -3.419  -0.279
  242    HB2  CYS  41           HB2      CYS  41  -4.516  -1.633  -2.405
  243    HB3  CYS  41           HB1      CYS  41  -4.316  -1.382  -0.674
  244    H    CYS  42           HN       CYS  42  -7.132  -2.929  -1.300
  245    HA   CYS  42           HA       CYS  42  -7.519  -4.242  -3.906
  246    HB2  CYS  42           HB2      CYS  42  -8.591  -5.112  -1.584
  247    HB3  CYS  42           HB1      CYS  42  -9.841  -3.978  -2.084
  248    HA   PRO  43           HA       PRO  43  -8.908  -0.509  -5.790
  249    HB2  PRO  43           HB2      PRO  43 -11.328  -2.118  -6.503
  250    HB3  PRO  43           HB1      PRO  43 -10.333  -1.072  -7.524
  251    HG2  PRO  43           HG2      PRO  43 -10.061  -3.714  -7.632
  252    HG3  PRO  43           HG1      PRO  43  -8.644  -2.651  -7.724
  253    HD2  PRO  43           HD2      PRO  43  -9.582  -4.364  -5.484
  254    HD3  PRO  43           HD1      PRO  43  -7.933  -3.881  -5.926
  255    H    ALA  44           HN       ALA  44 -10.410   1.170  -5.572
  256    HA   ALA  44           HA       ALA  44 -11.607   1.432  -3.035
  257    HB1  ALA  44           HB1      ALA  44 -11.204   3.084  -5.372
  258    HB2  ALA  44           HB2      ALA  44 -11.331   3.545  -3.675
  259    HB3  ALA  44           HB3      ALA  44 -12.788   3.361  -4.650
  260    H    GLY  45           HN       GLY  45 -13.130  -0.138  -2.631
  261    HA2  GLY  45           HA2      GLY  45 -15.600  -0.198  -2.561
  262    HA3  GLY  45           HA1      GLY  45 -15.560  -0.013  -4.308
  263    H    TYR  46           HN       TYR  46 -13.059  -1.983  -3.230
  264    HA   TYR  46           HA       TYR  46 -14.614  -4.397  -3.892
  265    HB2  TYR  46           HB2      TYR  46 -11.747  -3.656  -4.455
  266    HB3  TYR  46           HB1      TYR  46 -12.280  -5.331  -4.470
  267    HD1  TYR  46           HD1      TYR  46 -12.093  -5.942  -6.709
  268    HD2  TYR  46           HD2      TYR  46 -14.093  -2.321  -5.718
  269    HE1  TYR  46           HE1      TYR  46 -12.806  -5.702  -9.050
  270    HE2  TYR  46           HE2      TYR  46 -14.814  -2.072  -8.055
  271    HH   TYR  46           HH       TYR  46 -13.926  -4.475 -10.518
  272    H    LYS  47           HN       LYS  47 -13.503  -6.426  -2.969
  273    HA   LYS  47           HA       LYS  47 -12.657  -5.888  -0.199
  274    HB2  LYS  47           HB2      LYS  47 -15.024  -6.933  -0.717
  275    HB3  LYS  47           HB1      LYS  47 -14.092  -8.410  -0.918
  276    HG2  LYS  47           HG2      LYS  47 -13.335  -7.041   1.500
  277    HG3  LYS  47           HG1      LYS  47 -15.072  -7.345   1.455
  278    HD2  LYS  47           HD2      LYS  47 -13.178  -9.530   0.709
  279    HD3  LYS  47           HD1      LYS  47 -13.434  -9.151   2.413
  280    HE2  LYS  47           HE2      LYS  47 -15.715  -9.648   0.522
  281    HE3  LYS  47           HE1      LYS  47 -14.906 -10.960   1.379
  282    HZ1  LYS  47           HZ1      LYS  47 -16.925  -9.282   2.321
  283    HZ2  LYS  47           HZ2      LYS  47 -15.531  -8.932   3.214
  284    HZ3  LYS  47           HZ3      LYS  47 -16.121 -10.515   3.155
  285    H    CYS  48           HN       CYS  48 -11.032  -7.193   0.663
  286    HA   CYS  48           HA       CYS  48  -9.402  -8.556  -1.328
  287    HB2  CYS  48           HB2      CYS  48  -8.503  -6.867   0.385
  288    HB3  CYS  48           HB1      CYS  48  -8.707  -8.147   1.578
  289    H    GLY  49           HN       GLY  49  -9.428 -10.693  -1.567
  290    HA2  GLY  49           HA2      GLY  49 -10.932 -12.317   0.308
  291    HA3  GLY  49           HA1      GLY  49 -10.248 -12.849  -1.220
  292    HA   PRO  50           HA       PRO  50  -7.477 -14.102   2.408
  293    HB2  PRO  50           HB2      PRO  50  -8.336 -16.592   2.960
  294    HB3  PRO  50           HB1      PRO  50  -9.065 -15.168   3.710
  295    HG2  PRO  50           HG2      PRO  50 -10.063 -16.842   1.453
  296    HG3  PRO  50           HG1      PRO  50 -10.967 -16.084   2.773
  297    HD2  PRO  50           HD2      PRO  50 -10.768 -15.075   0.203
  298    HD3  PRO  50           HD1      PRO  50 -11.186 -14.116   1.635
  299    H    GLY  51           HN       GLY  51  -6.242 -13.953   0.327
  300    HA2  GLY  51           HA2      GLY  51  -4.561 -14.991  -0.909
  301    HA3  GLY  51           HA1      GLY  51  -5.157 -16.560  -0.356
  302    H    GLY  52           HN       GLY  52  -7.924 -15.818  -1.175
  303    HA2  GLY  52           HA2      GLY  52  -8.042 -16.977  -3.682
  304    HA3  GLY  52           HA1      GLY  52  -9.255 -15.854  -3.063
  305    H    THR  53           HN       THR  53  -8.880 -13.547  -3.345
  306    HA   THR  53           HA       THR  53  -6.853 -12.310  -4.619
  307    HB   THR  53           HB       THR  53  -8.196 -12.006  -6.941
  308    HG1  THR  53           HG1      THR  53  -9.650 -13.635  -6.813
  309   HG21  THR  53          HG21      THR  53  -5.978 -12.354  -7.257
  310   HG22  THR  53          HG22      THR  53  -6.491 -14.007  -7.602
  311   HG23  THR  53          HG23      THR  53  -5.888 -13.587  -5.990
  312    H    CYS  54           HN       CYS  54  -8.016 -10.312  -6.105
  313    HA   CYS  54           HA       CYS  54  -9.664  -9.061  -4.067
  314    HB2  CYS  54           HB2      CYS  54  -7.951  -8.154  -6.251
  315    HB3  CYS  54           HB1      CYS  54  -9.471  -7.267  -6.175
  316    H    ILE  55           HN       ILE  55 -11.800  -8.888  -4.137
  317    HA   ILE  55           HA       ILE  55 -13.169  -9.593  -6.651
  318    HB   ILE  55           HB       ILE  55 -15.107 -10.040  -4.891
  319   HG12  ILE  55          HG12      ILE  55 -12.561 -10.538  -3.323
  320   HG13  ILE  55          HG11      ILE  55 -13.800  -9.349  -2.937
  321   HG21  ILE  55          HG21      ILE  55 -13.940 -12.439  -4.705
  322   HG22  ILE  55          HG22      ILE  55 -12.933 -11.732  -5.969
  323   HG23  ILE  55          HG23      ILE  55 -14.680 -11.846  -6.192
  324   HD11  ILE  55          HD11      ILE  55 -13.628 -11.836  -1.861
  325   HD12  ILE  55          HD12      ILE  55 -14.799 -12.090  -3.158
  326   HD13  ILE  55          HD13      ILE  55 -15.098 -10.862  -1.929
  327    H    SER  56           HN       SER  56 -15.154  -8.541  -7.142
  328    HA   SER  56           HA       SER  56 -15.152  -5.751  -6.376
  329    HB2  SER  56           HB2      SER  56 -17.056  -5.624  -8.053
  330    HB3  SER  56           HB1      SER  56 -15.506  -6.164  -8.701
  331    HG   SER  56           HG       SER  56 -16.690  -8.339  -7.930
  Start of MODEL   16
    1    H1   ASP   1           HT1      ASP   1  -1.895  14.690  -3.366
    2    H2   ASP   1           HT2      ASP   1  -2.711  13.740  -4.504
    3    H3   ASP   1           HT3      ASP   1  -1.756  15.038  -5.017
    4    HA   ASP   1           HA       ASP   1  -0.541  13.065  -5.415
    5    HB2  ASP   1           HB2      ASP   1   1.065  13.625  -3.150
    6    HB3  ASP   1           HB1      ASP   1   1.288  14.184  -4.798
    7    H    VAL   2           HN       VAL   2  -0.139  13.136  -2.056
    8    HA   VAL   2           HA       VAL   2  -1.487  10.643  -1.566
    9    HB   VAL   2           HB       VAL   2   1.479  10.798  -1.741
   10   HG11  VAL   2          HG11      VAL   2   0.172   8.770   0.054
   11   HG12  VAL   2          HG12      VAL   2   0.928  10.242   0.666
   12   HG13  VAL   2          HG13      VAL   2   1.895   9.051  -0.204
   13   HG21  VAL   2          HG21      VAL   2   0.054   8.268  -2.108
   14   HG22  VAL   2          HG22      VAL   2   1.225   9.078  -3.149
   15   HG23  VAL   2          HG23      VAL   2  -0.468   9.569  -3.177
   16    H    GLN   3           HN       GLN   3  -1.302   9.980   0.786
   17    HA   GLN   3           HA       GLN   3  -0.437  11.938   2.684
   18    HB2  GLN   3           HB2      GLN   3  -3.276  11.825   1.865
   19    HB3  GLN   3           HB1      GLN   3  -2.979  11.816   3.601
   20    HG2  GLN   3           HG2      GLN   3  -1.473  13.846   3.139
   21    HG3  GLN   3           HG1      GLN   3  -2.314  13.929   1.591
   22   HE21  GLN   3          HE21      GLN   3  -3.591  12.988   4.742
   23   HE22  GLN   3          HE22      GLN   3  -4.746  14.267   4.857
   24    H    CYS   4           HN       CYS   4   0.673   9.815   2.967
   25    HA   CYS   4           HA       CYS   4  -0.525   7.474   3.788
   26    HB2  CYS   4           HB2      CYS   4   1.999   8.348   5.130
   27    HB3  CYS   4           HB1      CYS   4   1.571   6.774   4.470
   28    H    GLY   5           HN       GLY   5   0.810   9.944   5.976
   29    HA2  GLY   5           HA2      GLY   5  -1.419   9.686   7.772
   30    HA3  GLY   5           HA1      GLY   5   0.039   8.927   8.384
   31    H    GLY   6           HN       GLY   6   1.843  10.811   7.177
   32    HA2  GLY   6           HA2      GLY   6   1.532  13.452   7.552
   33    HA3  GLY   6           HA1      GLY   6   1.666  12.870   9.204
   34    H    GLY   7           HN       GLY   7   3.514  10.656   8.113
   35    HA2  GLY   7           HA2      GLY   7   5.915  12.335   8.208
   36    HA3  GLY   7           HA1      GLY   7   5.832  10.636   8.642
   37    H    PHE   8           HN       PHE   8   4.547   9.582   6.354
   38    HA   PHE   8           HA       PHE   8   6.713   9.980   4.405
   39    HB2  PHE   8           HB2      PHE   8   4.858   7.678   4.957
   40    HB3  PHE   8           HB1      PHE   8   5.764   7.785   3.452
   41    HD1  PHE   8           HD1      PHE   8   7.735   6.631   3.367
   42    HD2  PHE   8           HD2      PHE   8   6.408   8.150   7.115
   43    HE1  PHE   8           HE1      PHE   8   9.690   5.619   4.466
   44    HE2  PHE   8           HE2      PHE   8   8.360   7.142   8.221
   45    HZ   PHE   8           HZ       PHE   8  10.005   5.874   6.896
   46    H    SER   9           HN       SER   9   5.934   9.387   2.078
   47    HA   SER   9           HA       SER   9   3.285  10.317   1.417
   48    HB2  SER   9           HB2      SER   9   4.089  12.147  -0.069
   49    HB3  SER   9           HB1      SER   9   4.402  12.466   1.639
   50    HG   SER   9           HG       SER   9   6.289  12.913   0.642
   51    H    CYS  10           HN       CYS  10   3.230  10.585  -1.128
   52    HA   CYS  10           HA       CYS  10   5.019   8.800  -2.516
   53    HB2  CYS  10           HB2      CYS  10   2.337   7.916  -1.681
   54    HB3  CYS  10           HB1      CYS  10   2.694   7.662  -3.385
   55    H    HIS  11           HN       HIS  11   3.793   8.452  -4.881
   56    HA   HIS  11           HA       HIS  11   3.639  11.175  -5.831
   57    HB2  HIS  11           HB2      HIS  11   4.355   8.622  -6.945
   58    HB3  HIS  11           HB1      HIS  11   3.150   9.397  -7.968
   59    HD1  HIS  11           HD1      HIS  11   4.013  12.304  -7.822
   60    HD2  HIS  11           HD2      HIS  11   6.685   9.148  -8.233
   61    HE1  HIS  11           HE1      HIS  11   6.079  13.302  -8.850
   62    HE2  HIS  11           HE2      HIS  11   7.710  11.389  -9.017
   63    H    ASP  12           HN       ASP  12   2.045  11.774  -7.467
   64    HA   ASP  12           HA       ASP  12  -0.552  11.709  -6.422
   65    HB2  ASP  12           HB2      ASP  12  -1.242  12.753  -8.561
   66    HB3  ASP  12           HB1      ASP  12   0.183  13.522  -7.871
   67    H    GLY  13           HN       GLY  13  -2.105  10.239  -6.518
   68    HA2  GLY  13           HA2      GLY  13  -3.512   8.757  -7.765
   69    HA3  GLY  13           HA1      GLY  13  -2.137   8.370  -8.785
   70    H    GLU  14           HN       GLU  14  -0.498   8.146  -6.133
   71    HA   GLU  14           HA       GLU  14  -1.090   5.321  -5.827
   72    HB2  GLU  14           HB2      GLU  14   1.049   6.645  -4.236
   73    HB3  GLU  14           HB1      GLU  14   1.044   5.072  -5.021
   74    HG2  GLU  14           HG2      GLU  14   1.033   7.533  -6.697
   75    HG3  GLU  14           HG1      GLU  14   2.530   7.018  -5.922
   76    H    THR  15           HN       THR  15  -0.916   4.381  -3.578
   77    HA   THR  15           HA       THR  15  -2.275   6.093  -1.603
   78    HB   THR  15           HB       THR  15  -2.940   3.176  -1.971
   79    HG1  THR  15           HG1      THR  15  -4.200   5.473  -3.091
   80   HG21  THR  15          HG21      THR  15  -3.848   3.617   0.049
   81   HG22  THR  15          HG22      THR  15  -5.119   4.390  -0.899
   82   HG23  THR  15          HG23      THR  15  -3.821   5.362  -0.206
   83    H    CYS  16           HN       CYS  16  -1.402   6.062   0.365
   84    HA   CYS  16           HA       CYS  16   0.837   4.284   0.884
   85    HB2  CYS  16           HB2      CYS  16  -0.172   6.832   1.975
   86    HB3  CYS  16           HB1      CYS  16   0.588   5.761   3.150
   87    H    CYS  17           HN       CYS  17   0.535   2.388   1.847
   88    HA   CYS  17           HA       CYS  17  -1.664   2.129   3.777
   89    HB2  CYS  17           HB2      CYS  17  -2.431   0.495   2.453
   90    HB3  CYS  17           HB1      CYS  17  -0.989   0.541   1.451
   91    HA   PRO  18           HA       PRO  18   1.758   1.177   6.479
   92    HB2  PRO  18           HB2      PRO  18   0.419   1.170   8.787
   93    HB3  PRO  18           HB1      PRO  18   0.639   2.669   7.875
   94    HG2  PRO  18           HG2      PRO  18  -1.764   0.895   8.040
   95    HG3  PRO  18           HG1      PRO  18  -1.675   2.665   8.054
   96    HD2  PRO  18           HD2      PRO  18  -2.262   1.126   5.824
   97    HD3  PRO  18           HD1      PRO  18  -1.645   2.790   5.777
   98    H    THR  19           HN       THR  19   2.022  -0.959   5.518
   99    HA   THR  19           HA       THR  19   0.494  -3.140   6.689
  100    HB   THR  19           HB       THR  19   0.906  -3.320   4.329
  101    HG1  THR  19           HG1      THR  19   2.777  -5.146   5.381
  102   HG21  THR  19          HG21      THR  19   2.762  -2.080   3.775
  103   HG22  THR  19          HG22      THR  19   3.428  -3.711   3.690
  104   HG23  THR  19          HG23      THR  19   3.717  -2.713   5.115
  105    H    SER  20           HN       SER  20   2.902  -1.366   7.848
  106    HA   SER  20           HA       SER  20   3.985  -3.596   9.383
  107    HB2  SER  20           HB2      SER  20   5.446  -2.339   7.310
  108    HB3  SER  20           HB1      SER  20   6.133  -1.764   8.829
  109    HG   SER  20           HG       SER  20   6.898  -3.865   7.836
  110    H    GLN  21           HN       GLN  21   6.048  -1.277  10.120
  111    HA   GLN  21           HA       GLN  21   4.320   0.457  11.667
  112    HB2  GLN  21           HB2      GLN  21   4.604  -1.596  13.063
  113    HB3  GLN  21           HB1      GLN  21   6.338  -1.305  13.066
  114    HG2  GLN  21           HG2      GLN  21   5.450  -0.492  15.115
  115    HG3  GLN  21           HG1      GLN  21   5.900   0.900  14.130
  116   HE21  GLN  21          HE21      GLN  21   3.435  -0.631  15.862
  117   HE22  GLN  21          HE22      GLN  21   2.136   0.419  15.423
  118    H    THR  22           HN       THR  22   7.390  -0.443  10.386
  119    HA   THR  22           HA       THR  22   8.523   2.152  11.186
  120    HB   THR  22           HB       THR  22  10.260   0.914  11.869
  121    HG1  THR  22           HG1      THR  22  11.597   1.310  10.286
  122   HG21  THR  22          HG21      THR  22   8.740  -1.230  10.556
  123   HG22  THR  22          HG22      THR  22   9.553  -1.210  12.120
  124   HG23  THR  22          HG23      THR  22  10.477  -1.513  10.650
  125    H    THR  23           HN       THR  23   7.076   0.653   8.612
  126    HA   THR  23           HA       THR  23   8.290   2.560   6.749
  127    HB   THR  23           HB       THR  23   8.204   0.759   4.953
  128    HG1  THR  23           HG1      THR  23   8.411  -1.399   5.825
  129   HG21  THR  23          HG21      THR  23  10.207   0.148   7.109
  130   HG22  THR  23          HG22      THR  23  10.269   1.645   6.179
  131   HG23  THR  23          HG23      THR  23  10.419   0.091   5.358
  132    H    TRP  24           HN       TRP  24   7.048   2.596   4.638
  133    HA   TRP  24           HA       TRP  24   4.157   2.205   5.096
  134    HB2  TRP  24           HB2      TRP  24   5.672   4.639   4.282
  135    HB3  TRP  24           HB1      TRP  24   4.159   4.337   3.437
  136    HD1  TRP  24           HD1      TRP  24   5.532   5.512   6.747
  137    HE1  TRP  24           HE1      TRP  24   3.590   6.276   8.258
  138    HE3  TRP  24           HE3      TRP  24   1.634   3.832   3.944
  139    HZ2  TRP  24           HZ2      TRP  24   0.782   6.173   8.255
  140    HZ3  TRP  24           HZ3      TRP  24  -0.656   4.200   4.761
  141    HH2  TRP  24           HH2      TRP  24  -1.064   5.350   6.870
  142    H    GLY  25           HN       GLY  25   2.930   1.675   3.233
  143    HA2  GLY  25           HA2      GLY  25   4.583   0.658   1.013
  144    HA3  GLY  25           HA1      GLY  25   3.018   0.016   1.478
  145    H    CYS  26           HN       CYS  26   4.173   1.150  -1.081
  146    HA   CYS  26           HA       CYS  26   2.153   3.240  -1.553
  147    HB2  CYS  26           HB2      CYS  26   4.762   3.533  -1.976
  148    HB3  CYS  26           HB1      CYS  26   4.361   2.748  -3.498
  149    H    CYS  27           HN       CYS  27   0.398   2.562  -2.571
  150    HA   CYS  27           HA       CYS  27   0.612   0.276  -4.409
  151    HB2  CYS  27           HB2      CYS  27  -0.977   0.389  -2.274
  152    HB3  CYS  27           HB1      CYS  27  -2.036   1.211  -3.414
  153    HA   PRO  28           HA       PRO  28  -0.318   3.228  -7.629
  154    HB2  PRO  28           HB2      PRO  28  -0.363   1.505  -9.699
  155    HB3  PRO  28           HB1      PRO  28   1.146   1.977  -8.908
  156    HG2  PRO  28           HG2      PRO  28  -0.483  -0.509  -8.557
  157    HG3  PRO  28           HG1      PRO  28   1.277  -0.333  -8.683
  158    HD2  PRO  28           HD2      PRO  28  -0.045  -0.641  -6.311
  159    HD3  PRO  28           HD1      PRO  28   1.502   0.214  -6.467
  160    H    SER  29           HN       SER  29  -2.501   3.257  -6.384
  161    HA   SER  29           HA       SER  29  -4.580   2.796  -8.315
  162    HB2  SER  29           HB2      SER  29  -4.461   1.186  -5.765
  163    HB3  SER  29           HB1      SER  29  -5.984   1.496  -6.600
  164    HG   SER  29           HG       SER  29  -4.726  -0.503  -7.135
  165    HA   PRO  30           HA       PRO  30  -6.375   6.298  -6.317
  166    HB2  PRO  30           HB2      PRO  30  -9.049   5.791  -6.430
  167    HB3  PRO  30           HB1      PRO  30  -8.092   6.259  -7.840
  168    HG2  PRO  30           HG2      PRO  30  -8.965   3.530  -6.964
  169    HG3  PRO  30           HG1      PRO  30  -8.984   4.241  -8.589
  170    HD2  PRO  30           HD2      PRO  30  -7.051   2.538  -7.802
  171    HD3  PRO  30           HD1      PRO  30  -6.720   3.889  -8.908
  172    H    LYS  31           HN       LYS  31  -9.210   5.499  -5.061
  173    HA   LYS  31           HA       LYS  31  -8.207   5.420  -2.369
  174    HB2  LYS  31           HB2      LYS  31 -10.458   6.440  -3.508
  175    HB3  LYS  31           HB1      LYS  31 -11.086   4.955  -2.807
  176    HG2  LYS  31           HG2      LYS  31 -10.385   5.605  -0.621
  177    HG3  LYS  31           HG1      LYS  31  -9.501   6.993  -1.261
  178    HD2  LYS  31           HD2      LYS  31 -11.336   8.259  -1.234
  179    HD3  LYS  31           HD1      LYS  31 -12.258   7.039  -2.114
  180    HE2  LYS  31           HE2      LYS  31 -11.690   6.653   0.793
  181    HE3  LYS  31           HE1      LYS  31 -12.976   7.753   0.295
  182    HZ1  LYS  31           HZ1      LYS  31 -14.222   5.915   0.277
  183    HZ2  LYS  31           HZ2      LYS  31 -12.891   4.873   0.228
  184    HZ3  LYS  31           HZ3      LYS  31 -13.470   5.569  -1.200
  185    H    ALA  32           HN       ALA  32  -7.291   3.177  -3.572
  186    HA   ALA  32           HA       ALA  32  -8.964   0.901  -3.256
  187    HB1  ALA  32           HB1      ALA  32  -6.003   0.643  -3.168
  188    HB2  ALA  32           HB2      ALA  32  -6.742   1.287  -4.633
  189    HB3  ALA  32           HB3      ALA  32  -7.196  -0.313  -4.046
  190    H    VAL  33           HN       VAL  33  -8.767  -0.794  -1.700
  191    HA   VAL  33           HA       VAL  33  -8.065   0.174   0.969
  192    HB   VAL  33           HB       VAL  33  -9.377  -2.460   0.300
  193   HG11  VAL  33          HG11      VAL  33  -8.836  -2.641   2.502
  194   HG12  VAL  33          HG12      VAL  33 -10.369  -1.786   2.673
  195   HG13  VAL  33          HG13      VAL  33  -8.850  -0.897   2.763
  196   HG21  VAL  33          HG21      VAL  33 -10.949  -0.055   1.126
  197   HG22  VAL  33          HG22      VAL  33 -11.487  -1.516   0.299
  198   HG23  VAL  33          HG23      VAL  33 -10.547  -0.305  -0.573
  199    H    CYS  34           HN       CYS  34  -6.269  -0.524   2.014
  200    HA   CYS  34           HA       CYS  34  -4.411  -2.159   0.591
  201    HB2  CYS  34           HB2      CYS  34  -3.324  -0.520   1.779
  202    HB3  CYS  34           HB1      CYS  34  -4.381  -0.672   3.179
  203    H    CYS  35           HN       CYS  35  -4.967  -4.266   0.392
  204    HA   CYS  35           HA       CYS  35  -6.195  -5.882   2.315
  205    HB2  CYS  35           HB2      CYS  35  -4.450  -6.436  -0.066
  206    HB3  CYS  35           HB1      CYS  35  -4.884  -7.753   1.017
  207    H    ASP  36           HN       ASP  36  -5.486  -6.231   4.277
  208    HA   ASP  36           HA       ASP  36  -2.648  -6.102   4.884
  209    HB2  ASP  36           HB2      ASP  36  -3.261  -5.786   7.133
  210    HB3  ASP  36           HB1      ASP  36  -4.470  -4.902   6.205
  211    H    ASP  37           HN       ASP  37  -4.998  -8.594   4.363
  212    HA   ASP  37           HA       ASP  37  -4.241 -10.552   6.142
  213    HB2  ASP  37           HB2      ASP  37  -5.979 -10.513   4.129
  214    HB3  ASP  37           HB1      ASP  37  -4.667 -11.338   3.293
  215    H    MET  38           HN       MET  38  -2.727  -9.628   3.097
  216    HA   MET  38           HA       MET  38  -0.306 -11.067   3.936
  217    HB2  MET  38           HB2      MET  38  -1.657 -11.096   1.246
  218    HB3  MET  38           HB1      MET  38   0.067 -11.405   1.397
  219    HG2  MET  38           HG2      MET  38  -2.074 -12.962   2.826
  220    HG3  MET  38           HG1      MET  38  -1.324 -13.449   1.307
  221    HE1  MET  38           HE1      MET  38  -0.633 -15.940   3.064
  222    HE2  MET  38           HE2      MET  38   1.059 -15.831   2.574
  223    HE3  MET  38           HE3      MET  38  -0.216 -15.336   1.460
  224    H    GLN  39           HN       GLN  39  -0.587  -9.394   0.888
  225    HA   GLN  39           HA       GLN  39   0.348  -6.881   1.899
  226    HB2  GLN  39           HB2      GLN  39   2.448  -8.199   1.853
  227    HB3  GLN  39           HB1      GLN  39   2.188  -8.526   0.145
  228    HG2  GLN  39           HG2      GLN  39   3.793  -6.768   0.364
  229    HG3  GLN  39           HG1      GLN  39   2.302  -6.096  -0.297
  230   HE21  GLN  39          HE21      GLN  39   1.250  -4.532   0.797
  231   HE22  GLN  39          HE22      GLN  39   1.788  -3.860   2.294
  232    H    HIS  40           HN       HIS  40  -1.697  -6.339   0.794
  233    HA   HIS  40           HA       HIS  40  -1.179  -5.673  -1.982
  234    HB2  HIS  40           HB2      HIS  40  -2.490  -8.117  -1.372
  235    HB3  HIS  40           HB1      HIS  40  -3.679  -7.035  -2.091
  236    HD1  HIS  40           HD1      HIS  40  -1.542  -5.631  -4.019
  237    HD2  HIS  40           HD2      HIS  40  -2.243  -9.707  -3.630
  238    HE1  HIS  40           HE1      HIS  40  -0.758  -6.656  -6.177
  239    HE2  HIS  40           HE2      HIS  40  -1.298  -9.107  -5.963
  240    H    CYS  41           HN       CYS  41  -3.521  -5.079  -3.004
  241    HA   CYS  41           HA       CYS  41  -5.177  -3.597  -1.151
  242    HB2  CYS  41           HB2      CYS  41  -4.407  -1.861  -3.365
  243    HB3  CYS  41           HB1      CYS  41  -4.496  -1.507  -1.645
  244    H    CYS  42           HN       CYS  42  -7.216  -3.055  -2.054
  245    HA   CYS  42           HA       CYS  42  -7.727  -4.224  -4.711
  246    HB2  CYS  42           HB2      CYS  42  -9.485  -4.226  -2.254
  247    HB3  CYS  42           HB1      CYS  42 -10.057  -4.669  -3.856
  248    HA   PRO  43           HA       PRO  43  -9.081  -0.364  -6.345
  249    HB2  PRO  43           HB2      PRO  43 -11.521  -1.948  -7.070
  250    HB3  PRO  43           HB1      PRO  43 -10.590  -0.809  -8.053
  251    HG2  PRO  43           HG2      PRO  43 -10.243  -3.412  -8.377
  252    HG3  PRO  43           HG1      PRO  43  -8.848  -2.316  -8.384
  253    HD2  PRO  43           HD2      PRO  43  -9.751  -4.218  -6.278
  254    HD3  PRO  43           HD1      PRO  43  -8.107  -3.695  -6.703
  255    H    ALA  44           HN       ALA  44 -10.324   1.350  -5.801
  256    HA   ALA  44           HA       ALA  44 -11.453   1.555  -3.296
  257    HB1  ALA  44           HB1      ALA  44 -12.718   3.570  -4.472
  258    HB2  ALA  44           HB2      ALA  44 -11.570   3.204  -5.759
  259    HB3  ALA  44           HB3      ALA  44 -10.986   3.613  -4.146
  260    H    GLY  45           HN       GLY  45 -12.956   0.032  -2.730
  261    HA2  GLY  45           HA2      GLY  45 -15.445   0.060  -2.521
  262    HA3  GLY  45           HA1      GLY  45 -15.471   0.049  -4.279
  263    H    TYR  46           HN       TYR  46 -12.943  -1.834  -3.078
  264    HA   TYR  46           HA       TYR  46 -14.584  -4.271  -3.313
  265    HB2  TYR  46           HB2      TYR  46 -11.789  -3.716  -4.311
  266    HB3  TYR  46           HB1      TYR  46 -12.432  -5.347  -4.153
  267    HD1  TYR  46           HD1      TYR  46 -13.425  -2.065  -5.656
  268    HD2  TYR  46           HD2      TYR  46 -13.359  -6.301  -6.034
  269    HE1  TYR  46           HE1      TYR  46 -14.447  -1.876  -7.885
  270    HE2  TYR  46           HE2      TYR  46 -14.380  -6.124  -8.264
  271    HH   TYR  46           HH       TYR  46 -14.865  -4.681  -9.960
  272    H    LYS  47           HN       LYS  47 -13.713  -6.159  -2.171
  273    HA   LYS  47           HA       LYS  47 -12.150  -5.413   0.209
  274    HB2  LYS  47           HB2      LYS  47 -13.510  -6.954   1.538
  275    HB3  LYS  47           HB1      LYS  47 -14.507  -5.698   0.817
  276    HG2  LYS  47           HG2      LYS  47 -15.729  -7.172  -0.320
  277    HG3  LYS  47           HG1      LYS  47 -14.308  -8.078  -0.845
  278    HD2  LYS  47           HD2      LYS  47 -15.054  -9.687   0.525
  279    HD3  LYS  47           HD1      LYS  47 -14.430  -8.672   1.826
  280    HE2  LYS  47           HE2      LYS  47 -17.137  -8.015   0.853
  281    HE3  LYS  47           HE1      LYS  47 -16.973  -9.553   1.700
  282    HZ1  LYS  47           HZ1      LYS  47 -15.928  -7.021   2.821
  283    HZ2  LYS  47           HZ2      LYS  47 -16.215  -8.482   3.624
  284    HZ3  LYS  47           HZ3      LYS  47 -17.516  -7.539   3.096
  285    H    CYS  48           HN       CYS  48 -11.002  -7.243   1.223
  286    HA   CYS  48           HA       CYS  48  -9.825  -8.917  -0.822
  287    HB2  CYS  48           HB2      CYS  48  -8.891  -7.712   1.519
  288    HB3  CYS  48           HB1      CYS  48  -8.895  -9.437   1.877
  289    H    GLY  49           HN       GLY  49  -9.761 -11.162  -0.813
  290    HA2  GLY  49           HA2      GLY  49 -11.794 -12.450   0.902
  291    HA3  GLY  49           HA1      GLY  49 -11.526 -12.899  -0.776
  292    HA   PRO  50           HA       PRO  50  -8.971 -15.510   2.330
  293    HB2  PRO  50           HB2      PRO  50 -10.121 -17.904   1.589
  294    HB3  PRO  50           HB1      PRO  50 -10.607 -16.953   2.996
  295    HG2  PRO  50           HG2      PRO  50 -11.841 -17.083   0.276
  296    HG3  PRO  50           HG1      PRO  50 -12.629 -17.021   1.863
  297    HD2  PRO  50           HD2      PRO  50 -12.452 -14.848   0.302
  298    HD3  PRO  50           HD1      PRO  50 -12.315 -14.733   2.069
  299    H    GLY  51           HN       GLY  51  -9.782 -15.420  -1.010
  300    HA2  GLY  51           HA2      GLY  51  -7.522 -17.180  -1.693
  301    HA3  GLY  51           HA1      GLY  51  -8.820 -16.721  -2.785
  302    H    GLY  52           HN       GLY  52  -7.354 -14.309  -0.771
  303    HA2  GLY  52           HA2      GLY  52  -6.094 -12.457  -1.266
  304    HA3  GLY  52           HA1      GLY  52  -5.227 -13.494  -2.390
  305    H    THR  53           HN       THR  53  -8.645 -12.957  -2.751
  306    HA   THR  53           HA       THR  53  -8.083 -11.396  -5.183
  307    HB   THR  53           HB       THR  53 -10.251 -12.161  -6.029
  308    HG1  THR  53           HG1      THR  53 -10.366 -13.666  -3.608
  309   HG21  THR  53          HG21      THR  53  -9.534 -14.249  -6.686
  310   HG22  THR  53          HG22      THR  53  -8.931 -14.664  -5.082
  311   HG23  THR  53          HG23      THR  53  -8.021 -13.554  -6.105
  312    H    CYS  54           HN       CYS  54 -10.160 -10.088  -5.834
  313    HA   CYS  54           HA       CYS  54 -11.050  -8.572  -3.469
  314    HB2  CYS  54           HB2      CYS  54 -10.548  -7.427  -6.221
  315    HB3  CYS  54           HB1      CYS  54 -10.960  -6.533  -4.763
  316    H    ILE  55           HN       ILE  55 -13.177  -8.467  -3.186
  317    HA   ILE  55           HA       ILE  55 -14.926  -8.991  -5.504
  318    HB   ILE  55           HB       ILE  55 -16.361  -9.609  -3.156
  319   HG12  ILE  55          HG12      ILE  55 -13.801 -11.202  -3.246
  320   HG13  ILE  55          HG11      ILE  55 -14.009  -9.822  -2.173
  321   HG21  ILE  55          HG21      ILE  55 -16.975 -11.383  -4.383
  322   HG22  ILE  55          HG22      ILE  55 -15.309 -11.859  -4.715
  323   HG23  ILE  55          HG23      ILE  55 -16.070 -10.588  -5.672
  324   HD11  ILE  55          HD11      ILE  55 -15.467 -12.438  -2.147
  325   HD12  ILE  55          HD12      ILE  55 -16.062 -11.019  -1.285
  326   HD13  ILE  55          HD13      ILE  55 -14.490 -11.706  -0.876
  327    H    SER  56           HN       SER  56 -17.295  -8.288  -4.892
  328    HA   SER  56           HA       SER  56 -17.100  -5.538  -3.863
  329    HB2  SER  56           HB2      SER  56 -18.394  -6.706  -6.199
  330    HB3  SER  56           HB1      SER  56 -19.502  -5.722  -5.243
  331    HG   SER  56           HG       SER  56 -17.060  -4.552  -5.563